
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.1252    0.5350    1.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1887   -0.3817    0.7086 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8030   -0.1676    0.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2021    0.9979    1.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167    1.1629    1.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0017    0.1666    0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365    0.3642    0.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0623    1.5348    0.4824 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533   -0.7523    0.6559 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6268    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1922   -0.0627   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5070    0.3799   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    0.0957    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6629    0.1319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0268   -0.7174    1.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6792   -1.0451    1.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6065   -0.9937    0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8341   -1.9757   -0.6142 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9978   -1.1539    0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  1  0
 17 18  1  0
 17 19  2  0
 19  3  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (1) 
df65c0e8-c7dd-492f-b1ee-c58c7e484dda

>  <source_uuid>  (1) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (1) 
0.09745244728532461

>  <SourceMolNum>  (1) 
1

>  <ConformerNum>  (1) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.1252    0.5350    1.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1887   -0.3817    0.7086 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8030   -0.1676    0.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2021    0.9979    1.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167    1.1629    1.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0017    0.1666    0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365    0.3642    0.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0623    1.5348    0.4824 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533   -0.7523    0.6559 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6268    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1922   -0.0627   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5070    0.3799   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    0.0957    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6629    0.1319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0268   -0.7174    1.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6792   -1.0451    1.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6065   -0.9937    0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8341   -1.9757   -0.6142 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9978   -1.1539    0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  1  0
 17 18  1  0
 17 19  2  0
 19  3  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (2) 
df65c0e8-c7dd-492f-b1ee-c58c7e484dda

>  <source_uuid>  (2) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (2) 
0.09745244728532461

>  <SourceMolNum>  (2) 
1

>  <ConformerNum>  (2) 
2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0651    1.5337    0.4742 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366    0.3626    0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534   -0.7566    0.6463 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2536   -0.6253    0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1961   -0.0596   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5122    0.3810   -0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4175    0.0937    0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6835    0.6687    0.1213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0237   -0.7222    1.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6752   -1.0473    1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9996    0.1711    0.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5462   -0.6509    1.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9300   -0.7857    1.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5935   -1.8075    2.9418 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7850   -0.0940    0.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2609    0.7259   -0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8712    0.8613   -0.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3726    1.6710   -1.4228 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.3450    1.3351   -2.0471 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1250    2.7188   -1.9020 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 10  4  1  0
 17 11  1  0
M  CHG  2  18   1  20  -1
M  END
>  <reactant_uuid>  (3) 
4a142b81-8e73-42e4-8a85-6e1a1f3d56ee

>  <source_uuid>  (3) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (3) 
0.0997386465999807

>  <SourceMolNum>  (3) 
2

>  <ConformerNum>  (3) 
1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0651    1.5337    0.4742 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366    0.3626    0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534   -0.7566    0.6463 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2536   -0.6253    0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1961   -0.0596   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5122    0.3810   -0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4175    0.0937    0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6835    0.6687    0.1213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0237   -0.7222    1.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6752   -1.0473    1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9996    0.1711    0.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5462   -0.6509    1.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9300   -0.7857    1.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5935   -1.8075    2.9418 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7850   -0.0940    0.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2609    0.7259   -0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8712    0.8613   -0.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3726    1.6710   -1.4228 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.3450    1.3351   -2.0471 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1250    2.7188   -1.9020 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 10  4  1  0
 17 11  1  0
M  CHG  2  18   1  20  -1
M  END
>  <reactant_uuid>  (4) 
4a142b81-8e73-42e4-8a85-6e1a1f3d56ee

>  <source_uuid>  (4) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (4) 
0.0997386465999807

>  <SourceMolNum>  (4) 
2

>  <ConformerNum>  (4) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.2826   -2.6007   -1.5669 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8859   -1.8558   -0.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6398   -0.9245   -0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0381   -1.0735   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9629   -2.5275   -0.8550 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.7914   -0.1435    0.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1684    0.9397    1.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7853    1.0973    1.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0017    0.1658    0.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5358    0.3651    0.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0633    1.5361    0.4833 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6535   -0.7513    0.6536 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2536   -0.6268    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1951   -0.0615   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5111    0.3799   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173    0.0935    0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6830    0.6692    0.1200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0246   -0.7224    1.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766   -1.0477    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9  3  1  0
 19 13  1  0
M  END
>  <reactant_uuid>  (5) 
63559199-63e8-4c8e-9268-431287f744bb

>  <source_uuid>  (5) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (5) 
0.0973775635329866

>  <SourceMolNum>  (5) 
3

>  <ConformerNum>  (5) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.2826   -2.6007   -1.5669 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8859   -1.8558   -0.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6398   -0.9245   -0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0381   -1.0735   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9629   -2.5275   -0.8550 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.7914   -0.1435    0.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1684    0.9397    1.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7853    1.0973    1.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0017    0.1658    0.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5358    0.3651    0.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0633    1.5361    0.4833 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6535   -0.7513    0.6536 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2536   -0.6268    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1951   -0.0615   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5111    0.3799   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173    0.0935    0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6830    0.6692    0.1200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0246   -0.7224    1.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766   -1.0477    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9  3  1  0
 19 13  1  0
M  END
>  <reactant_uuid>  (6) 
63559199-63e8-4c8e-9268-431287f744bb

>  <source_uuid>  (6) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (6) 
0.0973775635329866

>  <SourceMolNum>  (6) 
3

>  <ConformerNum>  (6) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.5678    1.2290   -2.5700 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9379    0.8726   -1.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1543    0.4293   -0.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7790   -0.1821    0.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0203   -0.6033    1.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6313   -0.4286    1.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6728   -0.9363    3.2365 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9929    0.1683    0.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    0.3635    0.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0685    1.5353    0.4692 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6539   -0.7568    0.6437 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -0.6253    0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1938   -0.0611   -0.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5086    0.3806   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162    0.0955    0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    0.6617    0.1342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0245   -0.7173    1.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759   -1.0445    1.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7657    0.6085   -0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  2  0
 19  3  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (7) 
237378f5-8975-4262-acc5-936e704a784e

>  <source_uuid>  (7) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (7) 
0.10083359387862437

>  <SourceMolNum>  (7) 
4

>  <ConformerNum>  (7) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.5678    1.2290   -2.5700 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9379    0.8726   -1.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1543    0.4293   -0.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7790   -0.1821    0.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0203   -0.6033    1.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6313   -0.4286    1.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6728   -0.9363    3.2365 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9929    0.1683    0.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    0.3635    0.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0685    1.5353    0.4692 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6539   -0.7568    0.6437 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -0.6253    0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1938   -0.0611   -0.7906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5086    0.3806   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162    0.0955    0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    0.6617    0.1342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0245   -0.7173    1.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759   -1.0445    1.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7657    0.6085   -0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  2  0
 19  3  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (8) 
237378f5-8975-4262-acc5-936e704a784e

>  <source_uuid>  (8) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (8) 
0.10083359387862437

>  <SourceMolNum>  (8) 
4

>  <ConformerNum>  (8) 
2

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.2211   -0.4012    0.6212 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8041   -0.1888    0.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9572   -1.2556    0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5721   -1.0804    0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0036    0.1684    0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3644    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0602    1.5338    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6537 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541    1.2414    0.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2435    1.0704    0.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3251    2.5869    1.3443 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  5 16  1  0
 16 17  2  0
 17 18  1  0
 17  2  1  0
 15  9  1  0
M  END
>  <reactant_uuid>  (9) 
e797baee-1ef0-4e16-a52b-c46cee9c3816

>  <source_uuid>  (9) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (9) 
0.09908977877331335

>  <SourceMolNum>  (9) 
5

>  <ConformerNum>  (9) 
1

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.2211   -0.4012    0.6212 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8041   -0.1888    0.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9572   -1.2556    0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5721   -1.0804    0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0036    0.1684    0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3644    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0602    1.5338    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6537 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541    1.2414    0.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2435    1.0704    0.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3251    2.5869    1.3443 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  5 16  1  0
 16 17  2  0
 17 18  1  0
 17  2  1  0
 15  9  1  0
M  END
>  <reactant_uuid>  (10) 
e797baee-1ef0-4e16-a52b-c46cee9c3816

>  <source_uuid>  (10) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (10) 
0.09908977877331335

>  <SourceMolNum>  (10) 
5

>  <ConformerNum>  (10) 
2

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0656    1.5343    0.4752 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365    0.3630    0.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534   -0.7555    0.6494 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6255    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931   -0.0611   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5079    0.3806   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4164    0.0956    0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6861    0.6622    0.1332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0257   -0.7175    1.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6776   -1.0450    1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9976    0.1689    0.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5469   -0.6290    1.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9284   -0.7959    1.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7858   -0.1628    0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1761   -0.3105    0.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0061    0.3314   -0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4384    1.1148   -1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0879    1.2504   -1.1477 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2496    0.6401   -0.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8603    0.8013   -0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3672    1.5710   -1.4432 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 10  4  1  0
 20 11  1  0
 19 14  1  0
M  END
>  <reactant_uuid>  (11) 
b22bca35-9de8-4b75-a678-3407df74df63

>  <source_uuid>  (11) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (11) 
0.09853175587575172

>  <SourceMolNum>  (11) 
6

>  <ConformerNum>  (11) 
1

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0656    1.5343    0.4752 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365    0.3630    0.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534   -0.7555    0.6494 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6255    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931   -0.0611   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5079    0.3806   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4164    0.0956    0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6861    0.6622    0.1332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0257   -0.7175    1.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6776   -1.0450    1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9976    0.1689    0.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5469   -0.6290    1.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9284   -0.7959    1.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7858   -0.1628    0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1761   -0.3105    0.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0061    0.3314   -0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4384    1.1148   -1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0879    1.2504   -1.1477 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2496    0.6401   -0.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8603    0.8013   -0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3672    1.5710   -1.4432 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 10  4  1  0
 20 11  1  0
 19 14  1  0
M  END
>  <reactant_uuid>  (12) 
b22bca35-9de8-4b75-a678-3407df74df63

>  <source_uuid>  (12) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (12) 
0.09853175587575172

>  <SourceMolNum>  (12) 
6

>  <ConformerNum>  (12) 
2

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0602    1.5367    0.4788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357    0.3673    0.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6544   -0.7515    0.6510 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -0.6265    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -0.0609   -0.7886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    0.3801   -0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172    0.0934    0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6830    0.6689    0.1205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0239   -0.7223    1.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6757   -1.0475    1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0022    0.1623    0.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5821   -0.9321   -0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836   -1.8073   -0.8793 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9681   -1.1354   -0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7925   -0.2572    0.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2394    0.8385    1.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0530    1.7286    1.9896 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4793    2.8072    2.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0963    2.9856    2.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3179    2.1164    1.9219 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8412    1.0549    1.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 10  4  1  0
 21 11  1  0
 21 16  1  0
M  END
>  <reactant_uuid>  (13) 
ac5ad4e3-e047-4d72-aa94-cc59ef184e5b

>  <source_uuid>  (13) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (13) 
0.09867502679738899

>  <SourceMolNum>  (13) 
7

>  <ConformerNum>  (13) 
1

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0602    1.5367    0.4788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357    0.3673    0.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6544   -0.7515    0.6510 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -0.6265    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -0.0609   -0.7886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    0.3801   -0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172    0.0934    0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6830    0.6689    0.1205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0239   -0.7223    1.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6757   -1.0475    1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0022    0.1623    0.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5821   -0.9321   -0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836   -1.8073   -0.8793 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9681   -1.1354   -0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7925   -0.2572    0.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2394    0.8385    1.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0530    1.7286    1.9896 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4793    2.8072    2.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0963    2.9856    2.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3179    2.1164    1.9219 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8412    1.0549    1.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 10  4  1  0
 21 11  1  0
 21 16  1  0
M  END
>  <reactant_uuid>  (14) 
ac5ad4e3-e047-4d72-aa94-cc59ef184e5b

>  <source_uuid>  (14) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (14) 
0.09867502679738899

>  <SourceMolNum>  (14) 
7

>  <ConformerNum>  (14) 
2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.4282    0.0788   -2.8807 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8367    0.0517   -1.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1007    0.0180   -0.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7720   -0.1900    0.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608   -0.2181    1.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6649   -0.0531    1.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9449   -0.0265    3.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7378    1.8030    3.6964 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9882    0.1641    0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345    0.3659    0.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0697    1.5386    0.4734 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6557   -0.7540    0.6439 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2550   -0.6263    0.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1959   -0.0602   -0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5120    0.3804   -0.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4168    0.0932    0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    0.6680    0.1220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0221   -0.7223    1.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6732   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7134    0.1989   -0.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9 20  2  0
 20  3  1  0
 19 13  1  0
M  END
>  <reactant_uuid>  (15) 
682bbdc9-ae06-420d-a7b8-7dd5097fa58c

>  <source_uuid>  (15) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (15) 
0.09917347634195446

>  <SourceMolNum>  (15) 
8

>  <ConformerNum>  (15) 
1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.4282    0.0788   -2.8807 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8367    0.0517   -1.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1007    0.0180   -0.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7720   -0.1900    0.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608   -0.2181    1.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6649   -0.0531    1.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9449   -0.0265    3.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7378    1.8030    3.6964 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9882    0.1641    0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345    0.3659    0.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0697    1.5386    0.4734 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6557   -0.7540    0.6439 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2550   -0.6263    0.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1959   -0.0602   -0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5120    0.3804   -0.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4168    0.0932    0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    0.6680    0.1220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0221   -0.7223    1.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6732   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7134    0.1989   -0.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9 20  2  0
 20  3  1  0
 19 13  1  0
M  END
>  <reactant_uuid>  (16) 
682bbdc9-ae06-420d-a7b8-7dd5097fa58c

>  <source_uuid>  (16) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (16) 
0.09917347634195446

>  <SourceMolNum>  (16) 
8

>  <ConformerNum>  (16) 
2

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.0655    1.5369    0.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5359    0.3651    0.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6539   -0.7507    0.6539 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -0.6268    0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1926   -0.0628   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5073    0.3797   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162    0.0954    0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857    0.6625    0.1327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0261   -0.7177    1.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6781   -1.0455    1.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968    0.1638    0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7661    1.0308    1.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1411    0.8352    1.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7665   -0.2252    0.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0228   -1.0852    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8430   -2.3949   -0.8280 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6415   -0.8887   -0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9494   -1.7264   -1.0337 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 10  4  1  0
 17 11  1  0
M  END
>  <reactant_uuid>  (17) 
f0a5bed1-c853-4b79-a075-80c580c90024

>  <source_uuid>  (17) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (17) 
0.09599953941976565

>  <SourceMolNum>  (17) 
9

>  <ConformerNum>  (17) 
1

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.0655    1.5369    0.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5359    0.3651    0.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6539   -0.7507    0.6539 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -0.6268    0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1926   -0.0628   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5073    0.3797   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162    0.0954    0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857    0.6625    0.1327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0261   -0.7177    1.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6781   -1.0455    1.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968    0.1638    0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7661    1.0308    1.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1411    0.8352    1.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7665   -0.2252    0.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0228   -1.0852    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8430   -2.3949   -0.8280 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6415   -0.8887   -0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9494   -1.7264   -1.0337 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 10  4  1  0
 17 11  1  0
M  END
>  <reactant_uuid>  (18) 
f0a5bed1-c853-4b79-a075-80c580c90024

>  <source_uuid>  (18) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (18) 
0.09599953941976565

>  <SourceMolNum>  (18) 
9

>  <ConformerNum>  (18) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.3745   -0.4734    0.7396 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2264   -0.3344    0.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7982   -0.1615    0.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9661   -0.9593    1.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5797   -0.7922    1.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    0.1739    0.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379    0.3609    0.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0628    1.5307    0.4721 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6522   -0.7585    0.6475 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2530   -0.6244    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1937   -0.0606   -0.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5085    0.3810   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4169    0.0960    0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6866    0.6624    0.1331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0262   -0.7171    1.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6781   -1.0443    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488    0.9815   -0.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3060    1.9446   -1.1029 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2398    0.8086   -0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  1  0
 17 18  1  0
 17 19  2  0
 19  3  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (19) 
fb200304-faaf-4632-a4ba-abd2e7aebb08

>  <source_uuid>  (19) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (19) 
0.10071346103380113

>  <SourceMolNum>  (19) 
10

>  <ConformerNum>  (19) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.3745   -0.4734    0.7396 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2264   -0.3344    0.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7982   -0.1615    0.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9661   -0.9593    1.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5797   -0.7922    1.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    0.1739    0.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379    0.3609    0.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0628    1.5307    0.4721 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6522   -0.7585    0.6475 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2530   -0.6244    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1937   -0.0606   -0.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5085    0.3810   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4169    0.0960    0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6866    0.6624    0.1331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0262   -0.7171    1.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6781   -1.0443    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488    0.9815   -0.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3060    1.9446   -1.1029 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2398    0.8086   -0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  1  0
 17 18  1  0
 17 19  2  0
 19  3  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (20) 
fb200304-faaf-4632-a4ba-abd2e7aebb08

>  <source_uuid>  (20) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (20) 
0.10071346103380113

>  <SourceMolNum>  (20) 
10

>  <ConformerNum>  (20) 
2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.9791   -0.9693    1.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1968   -0.2798    0.4727 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8017   -0.1432    0.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1620    0.5621   -0.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7753    0.7243   -0.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9979    0.1711    0.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5363    0.3628    0.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0670    1.5340    0.4689 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534   -0.7579    0.6410 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2536   -0.6247    0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1970   -0.0594   -0.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5130    0.3809   -0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176    0.0935    0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6838    0.6682    0.1221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0228   -0.7220    1.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6739   -1.0466    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6387   -0.5248    1.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023   -1.0290    2.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3127   -1.4326    3.6400 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0323   -0.6829    1.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  1  0
 17 18  1  0
 18 19  3  0
 17 20  2  0
 20  3  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (21) 
82941378-7bf6-49b8-9e3a-f371e7606eb1

>  <source_uuid>  (21) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (21) 
0.10176377043128523

>  <SourceMolNum>  (21) 
11

>  <ConformerNum>  (21) 
1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.9791   -0.9693    1.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1968   -0.2798    0.4727 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8017   -0.1432    0.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1620    0.5621   -0.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7753    0.7243   -0.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9979    0.1711    0.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5363    0.3628    0.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0670    1.5340    0.4689 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534   -0.7579    0.6410 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2536   -0.6247    0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1970   -0.0594   -0.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5130    0.3809   -0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176    0.0935    0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6838    0.6682    0.1221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0228   -0.7220    1.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6739   -1.0466    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6387   -0.5248    1.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023   -1.0290    2.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3127   -1.4326    3.6400 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0323   -0.6829    1.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  1  0
 17 18  1  0
 18 19  3  0
 17 20  2  0
 20  3  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (22) 
82941378-7bf6-49b8-9e3a-f371e7606eb1

>  <source_uuid>  (22) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (22) 
0.10176377043128523

>  <SourceMolNum>  (22) 
11

>  <ConformerNum>  (22) 
2

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.6103    3.5793   -2.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1229    2.5000   -1.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9494    1.6766   -0.9786 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2454    0.8294   -0.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8282   -0.1444    0.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9961   -0.9649    1.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5975   -0.8092    1.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0033    0.1740    0.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379    0.3613    0.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624    1.5308    0.4727 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6528   -0.7581    0.6460 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2532   -0.6244    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1961   -0.0589   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5123    0.3813   -0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4178    0.0939    0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6838    0.6688    0.1210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0240   -0.7219    1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6756   -1.0468    1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8649    0.9840   -0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4968    2.2262   -1.2944 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  2  0
 19 20  1  0
 20  2  1  0
 19  4  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (23) 
403b5659-2f1c-49bc-b3ab-bd94fdde3d05

>  <source_uuid>  (23) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (23) 
0.1010238285060167

>  <SourceMolNum>  (23) 
12

>  <ConformerNum>  (23) 
1

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.6103    3.5793   -2.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1229    2.5000   -1.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9494    1.6766   -0.9786 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2454    0.8294   -0.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8282   -0.1444    0.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9961   -0.9649    1.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5975   -0.8092    1.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0033    0.1740    0.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379    0.3613    0.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624    1.5308    0.4727 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6528   -0.7581    0.6460 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2532   -0.6244    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1961   -0.0589   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5123    0.3813   -0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4178    0.0939    0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6838    0.6688    0.1210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0240   -0.7219    1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6756   -1.0468    1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8649    0.9840   -0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4968    2.2262   -1.2944 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  2  0
 19 20  1  0
 20  2  1  0
 19  4  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (24) 
403b5659-2f1c-49bc-b3ab-bd94fdde3d05

>  <source_uuid>  (24) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (24) 
0.1010238285060167

>  <SourceMolNum>  (24) 
12

>  <ConformerNum>  (24) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0585    1.5342    0.4795 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5370    0.3658    0.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7529    0.6549 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2539   -0.6264    0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1922   -0.0623   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5071    0.3801   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    0.0958    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6629    0.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0266   -0.7172    1.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6789   -1.0449    1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0039    0.1649    0.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5571   -1.0720    0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9406   -1.2725    0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4476   -2.4738   -0.1986 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7942   -0.2360    0.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1761   -0.4156    0.6100 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2553    0.9977    0.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8722    1.2043    0.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3889    2.4131    1.3126 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (25) 
fb8861f6-fa0a-4ac5-9c5e-32a8523da6d0

>  <source_uuid>  (25) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (25) 
0.09879091579514199

>  <SourceMolNum>  (25) 
13

>  <ConformerNum>  (25) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0585    1.5342    0.4795 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5370    0.3658    0.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7529    0.6549 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2539   -0.6264    0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1922   -0.0623   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5071    0.3801   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    0.0958    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6629    0.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0266   -0.7172    1.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6789   -1.0449    1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0039    0.1649    0.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5571   -1.0720    0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9406   -1.2725    0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4476   -2.4738   -0.1986 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7942   -0.2360    0.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1761   -0.4156    0.6100 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2553    0.9977    0.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8722    1.2043    0.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3889    2.4131    1.3126 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (26) 
fb8861f6-fa0a-4ac5-9c5e-32a8523da6d0

>  <source_uuid>  (26) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (26) 
0.09879091579514199

>  <SourceMolNum>  (26) 
13

>  <ConformerNum>  (26) 
2

$$$$

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.0618    1.5278    0.4716 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391    0.3586    0.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516   -0.7608    0.6456 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.6236    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966   -0.0586   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5127    0.3816   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4183    0.0942    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842    0.6690    0.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -0.7216    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6765   -1.0464    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0081    0.1798    0.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6097   -0.8794    1.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9981   -1.0139    1.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8294   -0.0869    0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3341   -0.2493    0.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6911   -1.0382    1.7708 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9460    0.9812    0.8524 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8033   -0.8497   -0.4633 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2281    0.9671   -0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0117    1.9040   -0.8960 N   0  0  0  0  0  4  0  0  0  0  0  0
    6.6535    3.0972   -0.9775 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0305    1.4620   -1.7075 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.8282    1.1000   -0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
 14 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 19 23  2  0
 10  4  1  0
 23 11  1  0
M  CHG  2  20   1  22  -1
M  END
>  <reactant_uuid>  (27) 
262f46ca-066c-44f4-8233-0929e73bb8a7

>  <source_uuid>  (27) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (27) 
0.10253935229321495

>  <SourceMolNum>  (27) 
14

>  <ConformerNum>  (27) 
1

$$$$

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.0618    1.5278    0.4716 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391    0.3586    0.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516   -0.7608    0.6456 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.6236    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966   -0.0586   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5127    0.3816   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4183    0.0942    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842    0.6690    0.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -0.7216    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6765   -1.0464    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0081    0.1798    0.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6097   -0.8794    1.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9981   -1.0139    1.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8294   -0.0869    0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3341   -0.2493    0.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6911   -1.0382    1.7708 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9460    0.9812    0.8524 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8033   -0.8497   -0.4633 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2281    0.9671   -0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0117    1.9040   -0.8960 N   0  0  0  0  0  4  0  0  0  0  0  0
    6.6535    3.0972   -0.9775 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0305    1.4620   -1.7075 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.8282    1.1000   -0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
 14 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 19 23  2  0
 10  4  1  0
 23 11  1  0
M  CHG  2  20   1  22  -1
M  END
>  <reactant_uuid>  (28) 
262f46ca-066c-44f4-8233-0929e73bb8a7

>  <source_uuid>  (28) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (28) 
0.10253935229321495

>  <SourceMolNum>  (28) 
14

>  <ConformerNum>  (28) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.4129    4.4651    1.7923 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7779    3.3163    1.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1537    2.1340    1.2243 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542    1.0649    0.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7921   -0.1917    0.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9556   -1.2579    0.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5707   -1.0817    0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0037    0.1682    0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3645    0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0601    1.5339    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7536    0.6537 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8554    1.2417    0.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  2  0
 19  4  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (29) 
389ce5d9-0b6e-484b-add2-696173286ba7

>  <source_uuid>  (29) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (29) 
0.09909991971807734

>  <SourceMolNum>  (29) 
15

>  <ConformerNum>  (29) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.4129    4.4651    1.7923 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7779    3.3163    1.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1537    2.1340    1.2243 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542    1.0649    0.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7921   -0.1917    0.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9556   -1.2579    0.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5707   -1.0817    0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0037    0.1682    0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3645    0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0601    1.5339    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7536    0.6537 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8554    1.2417    0.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  2  0
 19  4  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (30) 
389ce5d9-0b6e-484b-add2-696173286ba7

>  <source_uuid>  (30) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (30) 
0.09909991971807734

>  <SourceMolNum>  (30) 
15

>  <ConformerNum>  (30) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.4561   -2.4578    0.1645 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8541   -1.4026    0.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2348   -0.3166    0.6432 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8058   -0.1816    0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9598   -1.2579    0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5732   -1.0821    0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    0.1684    0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3644    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0603    1.5338    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541    1.2427    0.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2401    1.0654    0.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
  7 18  1  0
 18 19  2  0
 19  4  1  0
 17 11  1  0
M  END
>  <reactant_uuid>  (31) 
a5e26ae8-b372-4719-9fdb-c5edbd8abe2f

>  <source_uuid>  (31) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (31) 
0.09908994323441275

>  <SourceMolNum>  (31) 
16

>  <ConformerNum>  (31) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.4561   -2.4578    0.1645 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8541   -1.4026    0.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2348   -0.3166    0.6432 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8058   -0.1816    0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9598   -1.2579    0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5732   -1.0821    0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    0.1684    0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3644    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0603    1.5338    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541    1.2427    0.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2401    1.0654    0.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
  7 18  1  0
 18 19  2  0
 19  4  1  0
 17 11  1  0
M  END
>  <reactant_uuid>  (32) 
a5e26ae8-b372-4719-9fdb-c5edbd8abe2f

>  <source_uuid>  (32) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (32) 
0.09908994323441275

>  <SourceMolNum>  (32) 
16

>  <ConformerNum>  (32) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.3000    3.9314   -0.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3324    3.0708   -0.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6303    3.5696    0.7189 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    1.7031   -0.4922 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3120    0.8440    0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7721   -0.2500    0.7986 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.8755   -1.1276    1.3994 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.5059   -0.9113    1.2775 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0055    0.1696    0.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5377    0.3637    0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0598    1.5323    0.4781 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6531   -0.7549    0.6509 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534   -0.6254    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1954   -0.0595   -0.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5116    0.3809   -0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176    0.0937    0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6835    0.6690    0.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0246   -0.7222    1.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6765   -1.0474    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9187    1.0397   -0.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4257    2.1241   -1.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9 20  2  0
 20 21  1  0
 20  5  1  0
 19 13  1  0
M  CHG  3   6  -1   7  -1   8  -1
M  END
>  <reactant_uuid>  (33) 
6fc4cd09-2c74-42cc-9575-38da9605d00b

>  <source_uuid>  (33) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (33) 
0.0988110896786019

>  <SourceMolNum>  (33) 
17

>  <ConformerNum>  (33) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.3000    3.9314   -0.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3324    3.0708   -0.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6303    3.5696    0.7189 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    1.7031   -0.4922 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3120    0.8440    0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7721   -0.2500    0.7986 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.8755   -1.1276    1.3994 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.5059   -0.9113    1.2775 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0055    0.1696    0.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5377    0.3637    0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0598    1.5323    0.4781 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6531   -0.7549    0.6509 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534   -0.6254    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1954   -0.0595   -0.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5116    0.3809   -0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176    0.0937    0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6835    0.6690    0.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0246   -0.7222    1.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6765   -1.0474    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9187    1.0397   -0.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4257    2.1241   -1.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9 20  2  0
 20 21  1  0
 20  5  1  0
 19 13  1  0
M  CHG  3   6  -1   7  -1   8  -1
M  END
>  <reactant_uuid>  (34) 
6fc4cd09-2c74-42cc-9575-38da9605d00b

>  <source_uuid>  (34) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (34) 
0.0988110896786019

>  <SourceMolNum>  (34) 
17

>  <ConformerNum>  (34) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.1500    0.0385   -3.3053 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -0.6628   -2.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9519   -1.5513   -1.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6695   -0.7610   -0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0669   -0.8908   -0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7851   -0.1264    0.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1235    0.7889    1.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7397    0.9390    1.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9957    0.1644    0.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5349    0.3647    0.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0662    1.5370    0.4847 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538   -0.7502    0.6565 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -0.6272    0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1919   -0.0632   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5066    0.3795   -0.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4159    0.0954    0.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6854    0.6627    0.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0263   -0.7177    1.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6786   -1.0455    1.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9  4  1  0
 19 13  1  0
M  END
>  <reactant_uuid>  (35) 
c31f8da7-fe52-42e7-a6a8-1fe52ac06707

>  <source_uuid>  (35) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (35) 
0.095946924109523

>  <SourceMolNum>  (35) 
18

>  <ConformerNum>  (35) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.1500    0.0385   -3.3053 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -0.6628   -2.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9519   -1.5513   -1.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6695   -0.7610   -0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0669   -0.8908   -0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7851   -0.1264    0.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1235    0.7889    1.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7397    0.9390    1.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9957    0.1644    0.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5349    0.3647    0.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0662    1.5370    0.4847 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538   -0.7502    0.6565 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -0.6272    0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1919   -0.0632   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5066    0.3795   -0.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4159    0.0954    0.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6854    0.6627    0.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0263   -0.7177    1.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6786   -1.0455    1.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9  4  1  0
 19 13  1  0
M  END
>  <reactant_uuid>  (36) 
c31f8da7-fe52-42e7-a6a8-1fe52ac06707

>  <source_uuid>  (36) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (36) 
0.095946924109523

>  <SourceMolNum>  (36) 
18

>  <ConformerNum>  (36) 
2

$$$$

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
    8.8942   -1.5450    0.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1990   -0.3351    0.6381 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8031   -0.1903    0.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9529   -1.2577    0.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5694   -1.0783    0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0039    0.1681    0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3645    0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0599    1.5339    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7536    0.6537 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8548    1.2381    0.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2530    1.0641    0.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1331    2.1088    1.2292 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7497    3.4411    1.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8860    4.1808    1.8276 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9478    3.4385    2.6905 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    4.0234    0.5048 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
 18  3  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (37) 
1e32e709-8c4c-4d83-b897-ce0afa9278cf

>  <source_uuid>  (37) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (37) 
0.09909776983468453

>  <SourceMolNum>  (37) 
19

>  <ConformerNum>  (37) 
1

$$$$

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
    8.8942   -1.5450    0.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1990   -0.3351    0.6381 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8031   -0.1903    0.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9529   -1.2577    0.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5694   -1.0783    0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0039    0.1681    0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3645    0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0599    1.5339    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7536    0.6537 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8548    1.2381    0.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2530    1.0641    0.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1331    2.1088    1.2292 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7497    3.4411    1.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8860    4.1808    1.8276 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9478    3.4385    2.6905 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    4.0234    0.5048 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
 18  3  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (38) 
1e32e709-8c4c-4d83-b897-ce0afa9278cf

>  <source_uuid>  (38) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (38) 
0.09909776983468453

>  <SourceMolNum>  (38) 
19

>  <ConformerNum>  (38) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.7124    2.7104   -1.3376 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0499    1.9371   -0.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2251    0.9748   -0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8309    1.1149   -0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0081    0.1798    0.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392    0.3586    0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0616    1.5277    0.4717 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516   -0.7608    0.6457 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.6237    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1965   -0.0586   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5127    0.3815   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4183    0.0942    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842    0.6691    0.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -0.7216    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6765   -1.0463    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6118   -0.8888    1.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0028   -1.0258    1.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8102   -0.1005    0.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1593   -0.2495    0.6043 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  5 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18  3  1  0
 15  9  1  0
M  END
>  <reactant_uuid>  (39) 
bceee27f-6e8e-435b-b382-c134becb9603

>  <source_uuid>  (39) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (39) 
0.10254854586214607

>  <SourceMolNum>  (39) 
20

>  <ConformerNum>  (39) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.7124    2.7104   -1.3376 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0499    1.9371   -0.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2251    0.9748   -0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8309    1.1149   -0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0081    0.1798    0.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392    0.3586    0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0616    1.5277    0.4717 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516   -0.7608    0.6457 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.6237    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1965   -0.0586   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5127    0.3815   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4183    0.0942    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842    0.6691    0.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -0.7216    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6765   -1.0463    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6118   -0.8888    1.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0028   -1.0258    1.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8102   -0.1005    0.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1593   -0.2495    0.6043 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  5 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18  3  1  0
 15  9  1  0
M  END
>  <reactant_uuid>  (40) 
bceee27f-6e8e-435b-b382-c134becb9603

>  <source_uuid>  (40) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (40) 
0.10254854586214607

>  <SourceMolNum>  (40) 
20

>  <ConformerNum>  (40) 
2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.2222    3.2931    2.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3335    2.0971    1.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6513    1.0362    2.5221 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0860    2.1945    1.2155 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2469    1.0697    0.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7933   -0.1852    0.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9573   -1.2533    0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5716   -1.0817    0.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0036    0.1683    0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3644    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0602    1.5339    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6537 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8549    1.2430    0.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9 20  2  0
 20  5  1  0
 19 13  1  0
M  END
>  <reactant_uuid>  (41) 
f4e4b247-6731-40e4-9f55-97755983400a

>  <source_uuid>  (41) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (41) 
0.09909084759850169

>  <SourceMolNum>  (41) 
21

>  <ConformerNum>  (41) 
1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.2222    3.2931    2.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3335    2.0971    1.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6513    1.0362    2.5221 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0860    2.1945    1.2155 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2469    1.0697    0.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7933   -0.1852    0.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9573   -1.2533    0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5716   -1.0817    0.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0036    0.1683    0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3644    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0602    1.5339    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6537 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8549    1.2430    0.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9 20  2  0
 20  5  1  0
 19 13  1  0
M  END
>  <reactant_uuid>  (42) 
f4e4b247-6731-40e4-9f55-97755983400a

>  <source_uuid>  (42) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (42) 
0.09909084759850169

>  <SourceMolNum>  (42) 
21

>  <ConformerNum>  (42) 
2

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.0603    1.5338    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3644    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    0.1684    0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5732   -1.0830    0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9598   -1.2571    0.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7982   -0.1875    0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1776   -0.3851    0.6220 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417    1.0668    0.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0408    2.1168    1.1977 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547    1.2437    0.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (43) 
a2ecdb48-22f3-459e-891d-85618c3baaf7

>  <source_uuid>  (43) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (43) 
0.09909417873850115

>  <SourceMolNum>  (43) 
22

>  <ConformerNum>  (43) 
1

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.0603    1.5338    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3644    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    0.1684    0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5732   -1.0830    0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9598   -1.2571    0.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7982   -0.1875    0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1776   -0.3851    0.6220 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417    1.0668    0.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0408    2.1168    1.1977 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547    1.2437    0.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (44) 
a2ecdb48-22f3-459e-891d-85618c3baaf7

>  <source_uuid>  (44) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (44) 
0.09909417873850115

>  <SourceMolNum>  (44) 
22

>  <ConformerNum>  (44) 
2

$$$$

     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
   13.2669   -0.2528   -0.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4674    0.0026    0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0859    0.1586    1.7914 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0239    0.0794    0.6750 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3081    0.4812   -0.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9984   -0.2956   -0.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2535   -0.2317    0.5876 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8196   -0.0969    0.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2205    0.9790   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8303    1.1184   -0.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0082    0.1800    0.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392    0.3585    0.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0616    1.5276    0.4717 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516   -0.7608    0.6458 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.6236    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1965   -0.0586   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5126    0.3816   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4183    0.0942    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842    0.6691    0.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248   -0.7216    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6765   -1.0463    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6133   -0.8910    1.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0046   -1.0275    1.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9529   -0.6374    1.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2742    0.1239    1.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11 22  1  0
 22 23  2  0
  7 24  1  0
 24 25  1  0
 25  4  1  0
 23  8  1  0
 21 15  1  0
M  END
>  <reactant_uuid>  (45) 
644e0fe8-9653-475c-a9f2-bd7525fb2895

>  <source_uuid>  (45) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (45) 
0.10258061276266339

>  <SourceMolNum>  (45) 
23

>  <ConformerNum>  (45) 
1

$$$$

     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
   13.2669   -0.2528   -0.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4674    0.0026    0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0859    0.1586    1.7914 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0239    0.0794    0.6750 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3081    0.4812   -0.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9984   -0.2956   -0.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2535   -0.2317    0.5876 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8196   -0.0969    0.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2205    0.9790   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8303    1.1184   -0.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0082    0.1800    0.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392    0.3585    0.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0616    1.5276    0.4717 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516   -0.7608    0.6458 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.6236    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1965   -0.0586   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5126    0.3816   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4183    0.0942    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842    0.6691    0.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248   -0.7216    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6765   -1.0463    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6133   -0.8910    1.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0046   -1.0275    1.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9529   -0.6374    1.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2742    0.1239    1.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11 22  1  0
 22 23  2  0
  7 24  1  0
 24 25  1  0
 25  4  1  0
 23  8  1  0
 21 15  1  0
M  END
>  <reactant_uuid>  (46) 
644e0fe8-9653-475c-a9f2-bd7525fb2895

>  <source_uuid>  (46) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (46) 
0.10258061276266339

>  <SourceMolNum>  (46) 
23

>  <ConformerNum>  (46) 
2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0580    1.5372    0.4731 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    0.3701    0.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6556   -0.7517    0.6479 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2549   -0.6260    0.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1952   -0.0603   -0.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5115    0.3804   -0.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4169    0.0933    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    0.6684    0.1211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0230   -0.7224    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6744   -1.0474    1.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9994    0.1582    0.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5228   -0.9308   -0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8948   -1.1622   -0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7666   -0.3210    0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2778    0.7574    1.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2131    1.5766    1.9386 N   0  0  0  0  0  4  0  0  0  0  0  0
    6.9766    1.9231    3.1139 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    1.7895    1.4272 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.8829    1.0125    1.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2048    2.5171    2.2493 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 15 19  2  0
 19 20  1  0
 10  4  1  0
 19 11  1  0
M  CHG  2  16   1  18  -1
M  END
>  <reactant_uuid>  (47) 
2c97e86b-5abe-4da7-9cf2-e1a61578ac99

>  <source_uuid>  (47) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (47) 
0.10069753912449114

>  <SourceMolNum>  (47) 
24

>  <ConformerNum>  (47) 
1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0580    1.5372    0.4731 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    0.3701    0.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6556   -0.7517    0.6479 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2549   -0.6260    0.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1952   -0.0603   -0.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5115    0.3804   -0.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4169    0.0933    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    0.6684    0.1211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0230   -0.7224    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6744   -1.0474    1.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9994    0.1582    0.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5228   -0.9308   -0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8948   -1.1622   -0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7666   -0.3210    0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2778    0.7574    1.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2131    1.5766    1.9386 N   0  0  0  0  0  4  0  0  0  0  0  0
    6.9766    1.9231    3.1139 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    1.7895    1.4272 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.8829    1.0125    1.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2048    2.5171    2.2493 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 15 19  2  0
 19 20  1  0
 10  4  1  0
 19 11  1  0
M  CHG  2  16   1  18  -1
M  END
>  <reactant_uuid>  (48) 
2c97e86b-5abe-4da7-9cf2-e1a61578ac99

>  <source_uuid>  (48) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (48) 
0.10069753912449114

>  <SourceMolNum>  (48) 
24

>  <ConformerNum>  (48) 
2

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.3596    1.5956   -1.4661 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8651    0.8090   -0.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2533    0.6402   -0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7830   -0.1599    0.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5196   -0.3648    0.9046 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9299   -0.7983    1.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5476   -0.6342    1.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9982    0.1691    0.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364    0.3629    0.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0653    1.5342    0.4751 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533   -0.7556    0.6495 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6256    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1930   -0.0611   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5079    0.3806   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4164    0.0957    0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6861    0.6623    0.1332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0258   -0.7175    1.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6777   -1.0451    1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8  2  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (49) 
03c1c287-a901-400f-b7e1-144459420b54

>  <source_uuid>  (49) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (49) 
0.0986456082602065

>  <SourceMolNum>  (49) 
25

>  <ConformerNum>  (49) 
1

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.3596    1.5956   -1.4661 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8651    0.8090   -0.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2533    0.6402   -0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7830   -0.1599    0.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5196   -0.3648    0.9046 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9299   -0.7983    1.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5476   -0.6342    1.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9982    0.1691    0.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364    0.3629    0.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0653    1.5342    0.4751 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533   -0.7556    0.6495 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6256    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1930   -0.0611   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5079    0.3806   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4164    0.0957    0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6861    0.6623    0.1332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0258   -0.7175    1.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6777   -1.0451    1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8  2  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (50) 
03c1c287-a901-400f-b7e1-144459420b54

>  <source_uuid>  (50) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (50) 
0.0986456082602065

>  <SourceMolNum>  (50) 
25

>  <ConformerNum>  (50) 
2

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.3804    2.0499    2.1143 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8729    1.0128    1.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2595    0.8106    1.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7880   -0.2420    0.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1754   -0.4466    0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6911   -1.5043   -0.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8293   -2.3635   -1.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4464   -2.1702   -1.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9164   -1.1117   -0.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5325   -0.9046   -0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9978    0.1596    0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5356    0.3692    0.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0602    1.5379    0.4728 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6555   -0.7525    0.6475 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2548   -0.6262    0.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -0.0603   -0.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5115    0.3804   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4169    0.0933    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    0.6685    0.1211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0230   -0.7224    1.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6744   -1.0475    1.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11  2  1  0
 21 15  1  0
  9  4  1  0
M  END
>  <reactant_uuid>  (51) 
9a7e48c5-08d9-4ebf-94c7-1cd7d588e3a0

>  <source_uuid>  (51) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (51) 
0.10093155777937009

>  <SourceMolNum>  (51) 
26

>  <ConformerNum>  (51) 
1

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.3804    2.0499    2.1143 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8729    1.0128    1.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2595    0.8106    1.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7880   -0.2420    0.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1754   -0.4466    0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6911   -1.5043   -0.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8293   -2.3635   -1.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4464   -2.1702   -1.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9164   -1.1117   -0.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5325   -0.9046   -0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9978    0.1596    0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5356    0.3692    0.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0602    1.5379    0.4728 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6555   -0.7525    0.6475 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2548   -0.6262    0.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -0.0603   -0.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5115    0.3804   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4169    0.0933    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    0.6685    0.1211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0230   -0.7224    1.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6744   -1.0475    1.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11  2  1  0
 21 15  1  0
  9  4  1  0
M  END
>  <reactant_uuid>  (52) 
9a7e48c5-08d9-4ebf-94c7-1cd7d588e3a0

>  <source_uuid>  (52) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (52) 
0.10093155777937009

>  <SourceMolNum>  (52) 
26

>  <ConformerNum>  (52) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.3034    1.3323   -2.0835 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798    1.6366   -1.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2889    3.0143   -2.1073 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8774    0.8312   -0.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2671    0.6783   -0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7819   -0.1198    0.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9204   -0.7758    1.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398   -0.6306    1.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9998    0.1702    0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5363    0.3630    0.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0650    1.5343    0.4747 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534   -0.7561    0.6467 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2536   -0.6254    0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1961   -0.0597   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5121    0.3809   -0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4175    0.0936    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6835    0.6686    0.1212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0237   -0.7222    1.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6752   -1.0473    1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9  4  1  0
 19 13  1  0
M  END
>  <reactant_uuid>  (53) 
1bda08d2-8768-4747-8d24-fdddef3a8bf1

>  <source_uuid>  (53) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (53) 
0.09949803511476528

>  <SourceMolNum>  (53) 
27

>  <ConformerNum>  (53) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.3034    1.3323   -2.0835 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798    1.6366   -1.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2889    3.0143   -2.1073 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8774    0.8312   -0.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2671    0.6783   -0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7819   -0.1198    0.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9204   -0.7758    1.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398   -0.6306    1.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9998    0.1702    0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5363    0.3630    0.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0650    1.5343    0.4747 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534   -0.7561    0.6467 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2536   -0.6254    0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1961   -0.0597   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5121    0.3809   -0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4175    0.0936    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6835    0.6686    0.1212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0237   -0.7222    1.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6752   -1.0473    1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9  4  1  0
 19 13  1  0
M  END
>  <reactant_uuid>  (54) 
1bda08d2-8768-4747-8d24-fdddef3a8bf1

>  <source_uuid>  (54) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (54) 
0.09949803511476528

>  <SourceMolNum>  (54) 
27

>  <ConformerNum>  (54) 
2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.6548    3.3378   -0.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    2.4235    1.2767 S   0  0  0  0  0  6  0  0  0  0  0  0
    6.6188    3.3225    2.2720 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5799    1.9203    1.8774 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2452    1.0666    0.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7934   -0.1859    0.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9584   -1.2555    0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5722   -1.0826    0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    0.1683    0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3644    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0602    1.5338    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8549    1.2436    0.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9 20  2  0
 20  5  1  0
 19 13  1  0
M  END
>  <reactant_uuid>  (55) 
04cfe3a5-fed6-44c6-a11e-7f1f1b0b9462

>  <source_uuid>  (55) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (55) 
0.09909247956377974

>  <SourceMolNum>  (55) 
28

>  <ConformerNum>  (55) 
1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.6548    3.3378   -0.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    2.4235    1.2767 S   0  0  0  0  0  6  0  0  0  0  0  0
    6.6188    3.3225    2.2720 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5799    1.9203    1.8774 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2452    1.0666    0.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7934   -0.1859    0.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9584   -1.2555    0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5722   -1.0826    0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    0.1683    0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3644    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0602    1.5338    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8549    1.2436    0.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9 20  2  0
 20  5  1  0
 19 13  1  0
M  END
>  <reactant_uuid>  (56) 
04cfe3a5-fed6-44c6-a11e-7f1f1b0b9462

>  <source_uuid>  (56) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (56) 
0.09909247956377974

>  <SourceMolNum>  (56) 
28

>  <ConformerNum>  (56) 
2

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.0605    1.5337    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371    0.3641    0.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533   -0.7537    0.6560 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6265    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1920   -0.0624   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    0.3801   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    0.0959    0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6630    0.1317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0270   -0.7172    1.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6795   -1.0449    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0033    0.1678    0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547    1.2433    0.8482 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2411    1.0642    0.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0509    2.1057    1.1952 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7935   -0.1856    0.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9608   -1.2591    0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6575   -2.8245   -0.1107 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5726   -1.0845    0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (57) 
be720833-54c6-469a-bb5f-7c671691e9a8

>  <source_uuid>  (57) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (57) 
0.09855719594194774

>  <SourceMolNum>  (57) 
29

>  <ConformerNum>  (57) 
1

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.0605    1.5337    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371    0.3641    0.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533   -0.7537    0.6560 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6265    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1920   -0.0624   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    0.3801   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    0.0959    0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6630    0.1317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0270   -0.7172    1.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6795   -1.0449    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0033    0.1678    0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547    1.2433    0.8482 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2411    1.0642    0.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0509    2.1057    1.1952 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7935   -0.1856    0.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9608   -1.2591    0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6575   -2.8245   -0.1107 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5726   -1.0845    0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (58) 
be720833-54c6-469a-bb5f-7c671691e9a8

>  <source_uuid>  (58) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (58) 
0.09855719594194774

>  <SourceMolNum>  (58) 
29

>  <ConformerNum>  (58) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.6417    2.9557   -1.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0825    1.8398   -0.8020 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2294    0.9525   -0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8035   -0.1007    0.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9998   -1.0192    1.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6311   -2.1114    2.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6058   -0.8656    1.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0069    0.1783    0.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388    0.3588    0.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0622    1.5282    0.4712 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514   -0.7605    0.6474 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.6239    0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1938   -0.0603   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5086    0.3813   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    0.0962    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869    0.6626    0.1329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0266   -0.7168    1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6787   -1.0440    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8286    1.0885   -0.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  2  0
 19  3  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (59) 
b187b254-8cdd-4798-80e0-d32a4a9a965e

>  <source_uuid>  (59) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (59) 
0.101923397298615

>  <SourceMolNum>  (59) 
30

>  <ConformerNum>  (59) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.6417    2.9557   -1.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0825    1.8398   -0.8020 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2294    0.9525   -0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8035   -0.1007    0.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9998   -1.0192    1.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6311   -2.1114    2.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6058   -0.8656    1.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0069    0.1783    0.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388    0.3588    0.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0622    1.5282    0.4712 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514   -0.7605    0.6474 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.6239    0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1938   -0.0603   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5086    0.3813   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    0.0962    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869    0.6626    0.1329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0266   -0.7168    1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6787   -1.0440    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8286    1.0885   -0.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  2  0
 19  3  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (60) 
b187b254-8cdd-4798-80e0-d32a4a9a965e

>  <source_uuid>  (60) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (60) 
0.101923397298615

>  <SourceMolNum>  (60) 
30

>  <ConformerNum>  (60) 
2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.1441    0.5525   -0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2078   -0.2845    0.6107 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8154   -0.1079    0.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2136    0.9409   -0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8255    1.0829   -0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0068    0.1785    0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388    0.3587    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624    1.5282    0.4710 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6513   -0.7607    0.6471 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.6238    0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1939   -0.0602   -0.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5087    0.3813   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    0.0962    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869    0.6626    0.1329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0266   -0.7168    1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6786   -1.0440    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6091   -0.8615    1.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0106   -1.0104    1.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -2.0401    2.0039 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9599   -3.0305    2.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 18  3  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (61) 
84080cb2-47c0-45d1-b6b3-75c35dfa640b

>  <source_uuid>  (61) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (61) 
0.10198732223902078

>  <SourceMolNum>  (61) 
31

>  <ConformerNum>  (61) 
1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.1441    0.5525   -0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2078   -0.2845    0.6107 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8154   -0.1079    0.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2136    0.9409   -0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8255    1.0829   -0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0068    0.1785    0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388    0.3587    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624    1.5282    0.4710 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6513   -0.7607    0.6471 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.6238    0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1939   -0.0602   -0.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5087    0.3813   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    0.0962    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869    0.6626    0.1329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0266   -0.7168    1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6786   -1.0440    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6091   -0.8615    1.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0106   -1.0104    1.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -2.0401    2.0039 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9599   -3.0305    2.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 18  3  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (62) 
84080cb2-47c0-45d1-b6b3-75c35dfa640b

>  <source_uuid>  (62) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (62) 
0.10198732223902078

>  <SourceMolNum>  (62) 
31

>  <ConformerNum>  (62) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.3153   -0.3435    0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8207   -0.1312    0.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9930   -1.0160    1.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6548   -2.3316    2.2543 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6039   -0.8591    1.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0070    0.1784    0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5389    0.3593    0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0620    1.5286    0.4713 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6518   -0.7604    0.6449 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526   -0.6237    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966   -0.0587   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5127    0.3815   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4182    0.0941    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842    0.6689    0.1209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0245   -0.7217    1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6761   -1.0464    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8295    1.0902   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2285    0.9625   -0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0275    1.9568   -0.7879 N   0  0  0  0  0  4  0  0  0  0  0  0
    6.6053    2.5093   -1.8249 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1604    2.4547   -0.1864 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 18  2  1  0
 16 10  1  0
M  CHG  2  19   1  21  -1
M  END
>  <reactant_uuid>  (63) 
f5b33b09-d3da-4354-9b02-5b5afc0d58e9

>  <source_uuid>  (63) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (63) 
0.10239683374810403

>  <SourceMolNum>  (63) 
32

>  <ConformerNum>  (63) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.3153   -0.3435    0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8207   -0.1312    0.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9930   -1.0160    1.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6548   -2.3316    2.2543 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6039   -0.8591    1.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0070    0.1784    0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5389    0.3593    0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0620    1.5286    0.4713 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6518   -0.7604    0.6449 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526   -0.6237    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966   -0.0587   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5127    0.3815   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4182    0.0941    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842    0.6689    0.1209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0245   -0.7217    1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6761   -1.0464    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8295    1.0902   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2285    0.9625   -0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0275    1.9568   -0.7879 N   0  0  0  0  0  4  0  0  0  0  0  0
    6.6053    2.5093   -1.8249 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1604    2.4547   -0.1864 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 18  2  1  0
 16 10  1  0
M  CHG  2  19   1  21  -1
M  END
>  <reactant_uuid>  (64) 
f5b33b09-d3da-4354-9b02-5b5afc0d58e9

>  <source_uuid>  (64) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (64) 
0.10239683374810403

>  <SourceMolNum>  (64) 
32

>  <ConformerNum>  (64) 
2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0601    1.5339    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3645    0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6537 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0038    0.1682    0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5703   -1.0791    0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9541   -1.2537    0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7995   -0.1916    0.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5355   -0.4754    0.5234 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2514    1.0719    0.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0872    2.1867    1.2664 N   0  0  0  0  0  4  0  0  0  0  0  0
    6.7000    3.3554    1.0584 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2452    1.9937    1.9833 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.8545    1.2396    0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 16 20  2  0
 10  4  1  0
 20 11  1  0
M  CHG  2  17   1  19  -1
M  END
>  <reactant_uuid>  (65) 
f8851b20-4f97-4a1c-a06e-129986c791fc

>  <source_uuid>  (65) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (65) 
0.09910774864285887

>  <SourceMolNum>  (65) 
33

>  <ConformerNum>  (65) 
1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0601    1.5339    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3645    0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6537 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0038    0.1682    0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5703   -1.0791    0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9541   -1.2537    0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7995   -0.1916    0.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5355   -0.4754    0.5234 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2514    1.0719    0.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0872    2.1867    1.2664 N   0  0  0  0  0  4  0  0  0  0  0  0
    6.7000    3.3554    1.0584 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2452    1.9937    1.9833 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.8545    1.2396    0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 16 20  2  0
 10  4  1  0
 20 11  1  0
M  CHG  2  17   1  19  -1
M  END
>  <reactant_uuid>  (66) 
f8851b20-4f97-4a1c-a06e-129986c791fc

>  <source_uuid>  (66) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (66) 
0.09910774864285887

>  <SourceMolNum>  (66) 
33

>  <ConformerNum>  (66) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.2966    3.7044    0.7876 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4476    2.5647    0.6953 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9187    1.2456    0.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2999    0.9839    0.6402 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.7804   -0.3233    0.5691 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.8859   -1.3876    0.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3492   -2.6583    0.4071 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5124   -1.1434    0.4582 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0070    0.1647    0.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    0.3669    0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0554    1.5332    0.4773 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540   -0.7533    0.6516 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6256    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1952   -0.0601   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    0.3806   -0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4175    0.0937    0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    0.6691    0.1202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0245   -0.7221    1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6763   -1.0471    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9  3  1  0
 19 13  1  0
M  CHG  3   4  -1   5  -1   8  -1
M  END
>  <reactant_uuid>  (67) 
fe7d70a3-8bf3-4653-bf7a-b199ad5ae2ef

>  <source_uuid>  (67) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (67) 
0.09998832910909582

>  <SourceMolNum>  (67) 
34

>  <ConformerNum>  (67) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.2966    3.7044    0.7876 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4476    2.5647    0.6953 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9187    1.2456    0.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2999    0.9839    0.6402 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.7804   -0.3233    0.5691 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.8859   -1.3876    0.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3492   -2.6583    0.4071 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5124   -1.1434    0.4582 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0070    0.1647    0.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    0.3669    0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0554    1.5332    0.4773 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540   -0.7533    0.6516 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6256    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1952   -0.0601   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    0.3806   -0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4175    0.0937    0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    0.6691    0.1202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0245   -0.7221    1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6763   -1.0471    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9  3  1  0
 19 13  1  0
M  CHG  3   4  -1   5  -1   8  -1
M  END
>  <reactant_uuid>  (68) 
fe7d70a3-8bf3-4653-bf7a-b199ad5ae2ef

>  <source_uuid>  (68) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (68) 
0.09998832910909582

>  <SourceMolNum>  (68) 
34

>  <ConformerNum>  (68) 
2

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.0622    1.5350    0.4825 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366    0.3645    0.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538   -0.7523    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6267    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950   -0.0611   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5111    0.3802   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0936    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6692    0.1199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -0.7222    1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768   -1.0475    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0018    0.1672    0.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8171    1.1652    1.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2025    0.9981    1.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7930   -0.1616    0.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1377   -0.3216    0.7299 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9996   -1.1537    0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6076   -0.9947    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8361   -1.9772   -0.6148 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 10  4  1  0
 17 11  1  0
M  END
>  <reactant_uuid>  (69) 
fb896516-870f-46e4-b84f-88e47be50ca8

>  <source_uuid>  (69) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (69) 
0.0979816397913204

>  <SourceMolNum>  (69) 
35

>  <ConformerNum>  (69) 
1

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.0622    1.5350    0.4825 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366    0.3645    0.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538   -0.7523    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6267    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950   -0.0611   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5111    0.3802   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0936    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6692    0.1199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -0.7222    1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768   -1.0475    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0018    0.1672    0.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8171    1.1652    1.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2025    0.9981    1.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7930   -0.1616    0.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1377   -0.3216    0.7299 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9996   -1.1537    0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6076   -0.9947    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8361   -1.9772   -0.6148 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 10  4  1  0
 17 11  1  0
M  END
>  <reactant_uuid>  (70) 
fb896516-870f-46e4-b84f-88e47be50ca8

>  <source_uuid>  (70) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (70) 
0.0979816397913204

>  <SourceMolNum>  (70) 
35

>  <ConformerNum>  (70) 
2

$$$$

     RDKit          3D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.0617    1.5272    0.4717 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392    0.3580    0.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6512   -0.7609    0.6482 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2524   -0.6237    0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1937   -0.0602   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5085    0.3813   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172    0.0963    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869    0.6628    0.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0269   -0.7168    1.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6791   -1.0439    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0079    0.1799    0.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6172   -0.9097    1.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0163   -1.0566    1.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7828   -0.1027    0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1213   -0.0558    0.4778 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3986    1.0499   -0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2278    1.7080   -0.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2090    0.9538   -0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8290    1.1327   -0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 10  4  1  0
 19 11  1  0
 18 14  1  0
M  END
>  <reactant_uuid>  (71) 
bc11a597-6f70-4bfa-bf50-2a9119c8debe

>  <source_uuid>  (71) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (71) 
0.1021277962423547

>  <SourceMolNum>  (71) 
36

>  <ConformerNum>  (71) 
1

$$$$

     RDKit          3D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.0617    1.5272    0.4717 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392    0.3580    0.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6512   -0.7609    0.6482 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2524   -0.6237    0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1937   -0.0602   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5085    0.3813   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172    0.0963    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869    0.6628    0.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0269   -0.7168    1.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6791   -1.0439    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0079    0.1799    0.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6172   -0.9097    1.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0163   -1.0566    1.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7828   -0.1027    0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1213   -0.0558    0.4778 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3986    1.0499   -0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2278    1.7080   -0.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2090    0.9538   -0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8290    1.1327   -0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 10  4  1  0
 19 11  1  0
 18 14  1  0
M  END
>  <reactant_uuid>  (72) 
bc11a597-6f70-4bfa-bf50-2a9119c8debe

>  <source_uuid>  (72) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (72) 
0.1021277962423547

>  <SourceMolNum>  (72) 
36

>  <ConformerNum>  (72) 
2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0603    1.5339    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3644    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0034    0.1684    0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547    1.2440    0.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2408    1.0660    0.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7986   -0.1870    0.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5449   -0.4052    0.6254 S   0  0  0  0  0  6  0  0  0  0  0  0
    8.8772   -1.8192    1.0114 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1611    0.5274    1.6300 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -0.0041   -1.2490 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9598   -1.2576    0.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5732   -1.0830    0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  2  0
 15 18  1  0
 14 19  1  0
 19 20  2  0
 10  4  1  0
 20 11  1  0
M  END
>  <reactant_uuid>  (73) 
7f9b904a-3d95-485f-ac00-60e97058b12f

>  <source_uuid>  (73) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (73) 
0.0990847973498852

>  <SourceMolNum>  (73) 
37

>  <ConformerNum>  (73) 
1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0603    1.5339    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3644    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0034    0.1684    0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547    1.2440    0.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2408    1.0660    0.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7986   -0.1870    0.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5449   -0.4052    0.6254 S   0  0  0  0  0  6  0  0  0  0  0  0
    8.8772   -1.8192    1.0114 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1611    0.5274    1.6300 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -0.0041   -1.2490 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9598   -1.2576    0.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5732   -1.0830    0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  2  0
 15 18  1  0
 14 19  1  0
 19 20  2  0
 10  4  1  0
 20 11  1  0
M  END
>  <reactant_uuid>  (74) 
7f9b904a-3d95-485f-ac00-60e97058b12f

>  <source_uuid>  (74) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (74) 
0.0990847973498852

>  <SourceMolNum>  (74) 
37

>  <ConformerNum>  (74) 
2

$$$$

     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
    9.5800   -0.8483    4.5865 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6452   -1.0250    3.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2221   -0.5954    3.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6494   -2.5202    2.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1834   -0.1659    2.2884 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5439   -0.4015    0.6775 S   0  0  0  0  0  6  0  0  0  0  0  0
    8.9305   -1.7598    0.1618 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1637    0.6235   -0.2300 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7973   -0.1898    0.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9583   -1.2607    0.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5722   -1.0839    0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0031    0.1678    0.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371    0.3641    0.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0605    1.5337    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533   -0.7537    0.6559 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6265    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1921   -0.0624   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    0.3801   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    0.0959    0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6630    0.1317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0270   -0.7172    1.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6795   -1.0449    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8543    1.2422    0.8487 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2396    1.0626    0.8867 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 12 23  1  0
 23 24  2  0
 24  9  1  0
 22 16  1  0
M  END
>  <reactant_uuid>  (75) 
42eeb9e1-3bcc-4e4b-a20d-7726203afd4c

>  <source_uuid>  (75) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (75) 
0.0985303108898699

>  <SourceMolNum>  (75) 
38

>  <ConformerNum>  (75) 
1

$$$$

     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
    9.5800   -0.8483    4.5865 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6452   -1.0250    3.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2221   -0.5954    3.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6494   -2.5202    2.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1834   -0.1659    2.2884 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5439   -0.4015    0.6775 S   0  0  0  0  0  6  0  0  0  0  0  0
    8.9305   -1.7598    0.1618 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1637    0.6235   -0.2300 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7973   -0.1898    0.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9583   -1.2607    0.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5722   -1.0839    0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0031    0.1678    0.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371    0.3641    0.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0605    1.5337    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533   -0.7537    0.6559 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6265    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1921   -0.0624   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    0.3801   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    0.0959    0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6630    0.1317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0270   -0.7172    1.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6795   -1.0449    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8543    1.2422    0.8487 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2396    1.0626    0.8867 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 12 23  1  0
 23 24  2  0
 24  9  1  0
 22 16  1  0
M  END
>  <reactant_uuid>  (76) 
42eeb9e1-3bcc-4e4b-a20d-7726203afd4c

>  <source_uuid>  (76) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (76) 
0.0985303108898699

>  <SourceMolNum>  (76) 
38

>  <ConformerNum>  (76) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
   10.5348   -0.1235    0.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250    0.3313   -0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1935   -0.3227    0.6180 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8040   -0.1330    0.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1934    0.7437   -0.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8049    0.8986   -0.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9999    0.1739    0.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5376    0.3608    0.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0656    1.5315    0.4691 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6526   -0.7593    0.6441 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2532   -0.6242    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1941   -0.0607   -0.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5088    0.3809   -0.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4168    0.0959    0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6866    0.6621    0.1337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0254   -0.7170    1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6771   -1.0440    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6126   -0.6882    1.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8787   -1.3389    2.4089 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0040   -0.8407    1.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5823   -1.6722    2.3810 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
  7 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 20  4  1  0
 17 11  1  0
M  END
>  <reactant_uuid>  (77) 
9f5c0b5e-824c-479a-9530-6959a9186538

>  <source_uuid>  (77) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (77) 
0.10171340329515388

>  <SourceMolNum>  (77) 
39

>  <ConformerNum>  (77) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
   10.5348   -0.1235    0.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250    0.3313   -0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1935   -0.3227    0.6180 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8040   -0.1330    0.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1934    0.7437   -0.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8049    0.8986   -0.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9999    0.1739    0.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5376    0.3608    0.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0656    1.5315    0.4691 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6526   -0.7593    0.6441 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2532   -0.6242    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1941   -0.0607   -0.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5088    0.3809   -0.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4168    0.0959    0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6866    0.6621    0.1337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0254   -0.7170    1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6771   -1.0440    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6126   -0.6882    1.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8787   -1.3389    2.4089 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0040   -0.8407    1.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5823   -1.6722    2.3810 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
  7 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 20  4  1  0
 17 11  1  0
M  END
>  <reactant_uuid>  (78) 
9f5c0b5e-824c-479a-9530-6959a9186538

>  <source_uuid>  (78) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (78) 
0.10171340329515388

>  <SourceMolNum>  (78) 
39

>  <ConformerNum>  (78) 
2

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.0619    1.5279    0.4715 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391    0.3587    0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516   -0.7607    0.6454 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.6236    0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966   -0.0586   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5127    0.3815   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4182    0.0941    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842    0.6690    0.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -0.7216    1.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6764   -1.0463    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0077    0.1796    0.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6112   -0.8814    1.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065   -1.0205    1.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6067   -2.0686    1.9509 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8073   -0.0996    0.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2241    0.9655   -0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375    1.8782   -0.7820 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8298    1.1066   -0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (79) 
2b258198-d16e-4c9a-90c4-9a3182398b69

>  <source_uuid>  (79) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (79) 
0.10253672829506459

>  <SourceMolNum>  (79) 
40

>  <ConformerNum>  (79) 
1

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.0619    1.5279    0.4715 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391    0.3587    0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516   -0.7607    0.6454 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.6236    0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966   -0.0586   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5127    0.3815   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4182    0.0941    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842    0.6690    0.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -0.7216    1.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6764   -1.0463    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0077    0.1796    0.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6112   -0.8814    1.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065   -1.0205    1.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6067   -2.0686    1.9509 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8073   -0.0996    0.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2241    0.9655   -0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375    1.8782   -0.7820 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8298    1.1066   -0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (80) 
2b258198-d16e-4c9a-90c4-9a3182398b69

>  <source_uuid>  (80) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (80) 
0.10253672829506459

>  <SourceMolNum>  (80) 
40

>  <ConformerNum>  (80) 
2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.6291    2.0263   -3.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1539    1.3016   -2.1149 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3841    1.6093   -1.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0959    2.5371   -1.9994 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8769    0.8216   -0.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2671    0.6813   -0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7819   -0.1034    0.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9198   -0.7560    1.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5390   -0.6183    1.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9990    0.1698    0.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5361    0.3627    0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652    1.5342    0.4759 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6532   -0.7561    0.6487 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2536   -0.6257    0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1934   -0.0620   -0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5079    0.3805   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    0.0959    0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6861    0.6625    0.1331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0257   -0.7172    1.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6776   -1.0447    1.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 10  5  1  0
 20 14  1  0
M  END
>  <reactant_uuid>  (81) 
748a2c9d-4b3d-43b6-bbbd-58c08160a76c

>  <source_uuid>  (81) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (81) 
0.09869539631238078

>  <SourceMolNum>  (81) 
41

>  <ConformerNum>  (81) 
1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.6291    2.0263   -3.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1539    1.3016   -2.1149 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3841    1.6093   -1.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0959    2.5371   -1.9994 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8769    0.8216   -0.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2671    0.6813   -0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7819   -0.1034    0.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9198   -0.7560    1.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5390   -0.6183    1.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9990    0.1698    0.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5361    0.3627    0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652    1.5342    0.4759 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6532   -0.7561    0.6487 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2536   -0.6257    0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1934   -0.0620   -0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5079    0.3805   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    0.0959    0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6861    0.6625    0.1331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0257   -0.7172    1.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6776   -1.0447    1.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 10  5  1  0
 20 14  1  0
M  END
>  <reactant_uuid>  (82) 
748a2c9d-4b3d-43b6-bbbd-58c08160a76c

>  <source_uuid>  (82) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (82) 
0.09869539631238078

>  <SourceMolNum>  (82) 
41

>  <ConformerNum>  (82) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0636    1.5370    0.4814 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5358    0.3661    0.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6543   -0.7510    0.6520 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -0.6266    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1951   -0.0612   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5112    0.3799   -0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    0.0933    0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    0.6689    0.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0240   -0.7225    1.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6758   -1.0477    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9984    0.1637    0.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7913    1.0175    1.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2256    2.0152    2.0582 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1739    0.8309    1.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7831   -0.1988    0.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0146   -1.0447   -0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6262   -2.0297   -0.8167 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6254   -0.8702   -0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7179   -1.9155   -1.2899 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (83) 
2a5021ac-a19b-4b1f-96c4-4f0753b9239e

>  <source_uuid>  (83) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (83) 
0.09748061606270329

>  <SourceMolNum>  (83) 
42

>  <ConformerNum>  (83) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0636    1.5370    0.4814 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5358    0.3661    0.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6543   -0.7510    0.6520 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -0.6266    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1951   -0.0612   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5112    0.3799   -0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    0.0933    0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    0.6689    0.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0240   -0.7225    1.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6758   -1.0477    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9984    0.1637    0.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7913    1.0175    1.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2256    2.0152    2.0582 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1739    0.8309    1.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7831   -0.1988    0.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0146   -1.0447   -0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6262   -2.0297   -0.8167 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6254   -0.8702   -0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7179   -1.9155   -1.2899 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (84) 
2a5021ac-a19b-4b1f-96c4-4f0753b9239e

>  <source_uuid>  (84) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (84) 
0.09748061606270329

>  <SourceMolNum>  (84) 
42

>  <ConformerNum>  (84) 
2

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0604    1.5336    0.4805 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371    0.3644    0.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6536   -0.7536    0.6557 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2539   -0.6265    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1920   -0.0623   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    0.3802   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162    0.0959    0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6630    0.1318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0268   -0.7172    1.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6792   -1.0449    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0020    0.1673    0.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5906   -1.0916    0.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9930   -1.2530    0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8273   -0.1629    0.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2248    1.0647    0.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    1.2272    0.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5720    2.5457    1.1062 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8012    3.2481    1.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8353    3.7551    2.6160 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9469    4.2653    0.4061 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8311    2.2672    1.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 10  4  1  0
 16 11  1  0
 21 15  1  0
M  END
>  <reactant_uuid>  (85) 
a276e2d6-08f5-48bf-969d-d2ae50edcd6f

>  <source_uuid>  (85) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (85) 
0.09864699027416803

>  <SourceMolNum>  (85) 
43

>  <ConformerNum>  (85) 
1

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0604    1.5336    0.4805 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371    0.3644    0.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6536   -0.7536    0.6557 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2539   -0.6265    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1920   -0.0623   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    0.3802   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162    0.0959    0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6630    0.1318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0268   -0.7172    1.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6792   -1.0449    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0020    0.1673    0.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5906   -1.0916    0.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9930   -1.2530    0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8273   -0.1629    0.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2248    1.0647    0.8471 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    1.2272    0.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5720    2.5457    1.1062 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8012    3.2481    1.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8353    3.7551    2.6160 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9469    4.2653    0.4061 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8311    2.2672    1.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 10  4  1  0
 16 11  1  0
 21 15  1  0
M  END
>  <reactant_uuid>  (86) 
a276e2d6-08f5-48bf-969d-d2ae50edcd6f

>  <source_uuid>  (86) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (86) 
0.09864699027416803

>  <SourceMolNum>  (86) 
43

>  <ConformerNum>  (86) 
2

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    9.4302   -0.2895    0.6904 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2962   -0.7822    0.9308 B   0  0  0  0  0  0  0  0  0  0  0  0
    6.8095   -0.0924    0.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0088   -1.0351    1.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6163   -0.9025    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0087    0.1800    0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392    0.3579    0.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0614    1.5271    0.4719 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6510   -0.7610    0.6484 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2523   -0.6237    0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1937   -0.0602   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5085    0.3814   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172    0.0963    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869    0.6628    0.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0270   -0.7168    1.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6792   -1.0439    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8311    1.1298   -0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2221    0.9900   -0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  1  0
 17 18  2  0
 18  3  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (87) 
31888496-17b9-4aae-9cb3-4ff3e80a53c8

>  <source_uuid>  (87) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (87) 
0.10212887086842265

>  <SourceMolNum>  (87) 
44

>  <ConformerNum>  (87) 
1

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    9.4302   -0.2895    0.6904 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2962   -0.7822    0.9308 B   0  0  0  0  0  0  0  0  0  0  0  0
    6.8095   -0.0924    0.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0088   -1.0351    1.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6163   -0.9025    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0087    0.1800    0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392    0.3579    0.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0614    1.5271    0.4719 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6510   -0.7610    0.6484 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2523   -0.6237    0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1937   -0.0602   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5085    0.3814   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172    0.0963    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869    0.6628    0.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0270   -0.7168    1.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6792   -1.0439    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8311    1.1298   -0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2221    0.9900   -0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  1  0
 17 18  2  0
 18  3  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (88) 
31888496-17b9-4aae-9cb3-4ff3e80a53c8

>  <source_uuid>  (88) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (88) 
0.10212887086842265

>  <SourceMolNum>  (88) 
44

>  <ConformerNum>  (88) 
2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0576    1.5359    0.4755 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364    0.3687    0.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6546   -0.7519    0.6521 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545   -0.6261    0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1923   -0.0620   -0.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5073    0.3801   -0.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4160    0.0955    0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857    0.6623    0.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0257   -0.7175    1.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6776   -1.0449    1.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0016    0.1597    0.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5324   -1.0059   -0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9091   -1.2387   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7867   -0.3105    0.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3408   -0.5740    0.5106 B   0  0  0  0  0  0  0  0  0  0  0  0
    9.2577    0.3926    1.1124 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8802   -1.7874   -0.1006 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2688    0.8532    1.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    1.0954    1.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3283    2.5541    1.9326 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 14 18  1  0
 18 19  2  0
 19 20  1  0
 10  4  1  0
 19 11  1  0
M  END
>  <reactant_uuid>  (89) 
4659ec86-8a75-4ff1-b2a2-321cf58433e5

>  <source_uuid>  (89) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (89) 
0.09965860279015176

>  <SourceMolNum>  (89) 
45

>  <ConformerNum>  (89) 
1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0576    1.5359    0.4755 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364    0.3687    0.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6546   -0.7519    0.6521 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545   -0.6261    0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1923   -0.0620   -0.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5073    0.3801   -0.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4160    0.0955    0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857    0.6623    0.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0257   -0.7175    1.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6776   -1.0449    1.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0016    0.1597    0.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5324   -1.0059   -0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9091   -1.2387   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7867   -0.3105    0.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3408   -0.5740    0.5106 B   0  0  0  0  0  0  0  0  0  0  0  0
    9.2577    0.3926    1.1124 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8802   -1.7874   -0.1006 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2688    0.8532    1.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    1.0954    1.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3283    2.5541    1.9326 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 14 18  1  0
 18 19  2  0
 19 20  1  0
 10  4  1  0
 19 11  1  0
M  END
>  <reactant_uuid>  (90) 
4659ec86-8a75-4ff1-b2a2-321cf58433e5

>  <source_uuid>  (90) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (90) 
0.09965860279015176

>  <SourceMolNum>  (90) 
45

>  <ConformerNum>  (90) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.3607    1.5975   -1.4652 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    0.8102   -0.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2536    0.6412   -0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7826   -0.1590    0.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1254   -0.3155    0.8710 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9302   -0.7984    1.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4437   -1.5710    2.6547 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5474   -0.6343    1.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9983    0.1696    0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365    0.3632    0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0653    1.5344    0.4751 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7556    0.6472 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6254    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.0595   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5120    0.3809   -0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0935    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6834    0.6686    0.1212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0236   -0.7223    1.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6752   -1.0474    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9  2  1  0
 19 13  1  0
M  END
>  <reactant_uuid>  (91) 
b3bae115-4dfb-4223-9b10-7c677c8e8fee

>  <source_uuid>  (91) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (91) 
0.09918155142070205

>  <SourceMolNum>  (91) 
46

>  <ConformerNum>  (91) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.3607    1.5975   -1.4652 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    0.8102   -0.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2536    0.6412   -0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7826   -0.1590    0.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1254   -0.3155    0.8710 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9302   -0.7984    1.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4437   -1.5710    2.6547 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5474   -0.6343    1.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9983    0.1696    0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365    0.3632    0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0653    1.5344    0.4751 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7556    0.6472 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6254    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.0595   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5120    0.3809   -0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0935    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6834    0.6686    0.1212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0236   -0.7223    1.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6752   -1.0474    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9  2  1  0
 19 13  1  0
M  END
>  <reactant_uuid>  (92) 
b3bae115-4dfb-4223-9b10-7c677c8e8fee

>  <source_uuid>  (92) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (92) 
0.09918155142070205

>  <SourceMolNum>  (92) 
46

>  <ConformerNum>  (92) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.1178    4.1253    3.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5748    2.7762    2.9264 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0479    1.9660    3.7689 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4237    2.3904    1.5541 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    1.1314    1.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2784    0.8598    1.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1459    1.7851    1.5769 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7735   -0.3551    0.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9018   -1.3095    0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5300   -1.0559    0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0052    0.1603    0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5368    0.3686    0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0551    1.5343    0.4777 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6543   -0.7513    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2543   -0.6260    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1923   -0.0622   -0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5072    0.3801   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161    0.0957    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857    0.6626    0.1323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0261   -0.7173    1.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6782   -1.0448    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11  5  1  0
 21 15  1  0
M  END
>  <reactant_uuid>  (93) 
15016cc2-a588-4d2b-90d9-2f63749e57d8

>  <source_uuid>  (93) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (93) 
0.09893260549509568

>  <SourceMolNum>  (93) 
47

>  <ConformerNum>  (93) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.1178    4.1253    3.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5748    2.7762    2.9264 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0479    1.9660    3.7689 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4237    2.3904    1.5541 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    1.1314    1.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2784    0.8598    1.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1459    1.7851    1.5769 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7735   -0.3551    0.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9018   -1.3095    0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5300   -1.0559    0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0052    0.1603    0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5368    0.3686    0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0551    1.5343    0.4777 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6543   -0.7513    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2543   -0.6260    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1923   -0.0622   -0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5072    0.3801   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161    0.0957    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857    0.6626    0.1323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0261   -0.7173    1.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6782   -1.0448    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11  5  1  0
 21 15  1  0
M  END
>  <reactant_uuid>  (94) 
15016cc2-a588-4d2b-90d9-2f63749e57d8

>  <source_uuid>  (94) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (94) 
0.09893260549509568

>  <SourceMolNum>  (94) 
47

>  <ConformerNum>  (94) 
2

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.0603    1.5338    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3644    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    0.1684    0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8544    1.2437    0.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2404    1.0652    0.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7959   -0.1843    0.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6935   -0.4113    0.6439 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.9610   -1.2583    0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4907   -2.4722   -0.0272 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5736   -1.0832    0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (95) 
36004f11-39a4-421c-96e6-ef0a0099828b

>  <source_uuid>  (95) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (95) 
0.09908784274493289

>  <SourceMolNum>  (95) 
48

>  <ConformerNum>  (95) 
1

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.0603    1.5338    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3644    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    0.1684    0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8544    1.2437    0.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2404    1.0652    0.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7959   -0.1843    0.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6935   -0.4113    0.6439 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.9610   -1.2583    0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4907   -2.4722   -0.0272 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5736   -1.0832    0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (96) 
36004f11-39a4-421c-96e6-ef0a0099828b

>  <source_uuid>  (96) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (96) 
0.09908784274493289

>  <SourceMolNum>  (96) 
48

>  <ConformerNum>  (96) 
2

$$$$

     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0603    1.5339    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3644    0.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7536    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    0.1683    0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8529    1.2415    0.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2371    1.0614    0.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7928   -0.1853    0.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9612   -1.2679    0.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4647   -2.5406   -0.0577 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8494   -2.8767   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4589   -2.3282   -1.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4621   -3.3969   -1.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1365   -4.6100   -1.1763 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0200   -4.3711   -0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5733   -1.0821    0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 15 22  2  0
 10  4  1  0
 22 11  1  0
 21 17  1  0
M  END
>  <reactant_uuid>  (97) 
7fce0119-236b-47ea-a743-55258e7065f1

>  <source_uuid>  (97) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (97) 
0.09906983674840766

>  <SourceMolNum>  (97) 
49

>  <ConformerNum>  (97) 
1

$$$$

     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0603    1.5339    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3644    0.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7536    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    0.1683    0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8529    1.2415    0.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2371    1.0614    0.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7928   -0.1853    0.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9612   -1.2679    0.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4647   -2.5406   -0.0577 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8494   -2.8767   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4589   -2.3282   -1.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4621   -3.3969   -1.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1365   -4.6100   -1.1763 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0200   -4.3711   -0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5733   -1.0821    0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 15 22  2  0
 10  4  1  0
 22 11  1  0
 21 17  1  0
M  END
>  <reactant_uuid>  (98) 
7fce0119-236b-47ea-a743-55258e7065f1

>  <source_uuid>  (98) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (98) 
0.09906983674840766

>  <SourceMolNum>  (98) 
49

>  <ConformerNum>  (98) 
2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0602    1.5338    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3644    0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0037    0.1684    0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5718   -1.0792    0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9565   -1.2547    0.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8108   -0.1866    0.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2352   -0.3958    0.5940 N   0  0  0  0  0  4  0  0  0  0  0  0
    8.7005   -1.5351    0.8050 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0964    0.6081    0.2165 O   0  0  0  0  0  1  0  0  0  0  0  0
    6.2433    1.0703    0.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2202    2.4444    1.3998 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8534    1.2390    0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 14 18  1  0
 18 19  1  0
 18 20  2  0
 10  4  1  0
 20 11  1  0
M  CHG  2  15   1  17  -1
M  END
>  <reactant_uuid>  (99) 
0ba1f798-3687-40e5-a3a2-c21bc2714a84

>  <source_uuid>  (99) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (99) 
0.09911314332240495

>  <SourceMolNum>  (99) 
50

>  <ConformerNum>  (99) 
1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0602    1.5338    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3644    0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0037    0.1684    0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5718   -1.0792    0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9565   -1.2547    0.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8108   -0.1866    0.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2352   -0.3958    0.5940 N   0  0  0  0  0  4  0  0  0  0  0  0
    8.7005   -1.5351    0.8050 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0964    0.6081    0.2165 O   0  0  0  0  0  1  0  0  0  0  0  0
    6.2433    1.0703    0.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2202    2.4444    1.3998 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8534    1.2390    0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 14 18  1  0
 18 19  1  0
 18 20  2  0
 10  4  1  0
 20 11  1  0
M  CHG  2  15   1  17  -1
M  END
>  <reactant_uuid>  (100) 
0ba1f798-3687-40e5-a3a2-c21bc2714a84

>  <source_uuid>  (100) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (100) 
0.09911314332240495

>  <SourceMolNum>  (100) 
50

>  <ConformerNum>  (100) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0605    1.5354    0.4803 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366    0.3660    0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.7521    0.6525 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -0.6264    0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950   -0.0609   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5112    0.3802   -0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173    0.0935    0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6690    0.1202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0243   -0.7222    1.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6762   -1.0475    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0018    0.1648    0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8429    1.1411    1.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3281    2.2724    1.6552 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2270    0.9455    1.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7900   -0.2156    0.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5272   -0.4538    0.6672 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9684   -1.1841    0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5830   -0.9991   -0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8195   -1.9402   -0.6223 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (101) 
976e9f26-877d-478b-905a-a05202926613

>  <source_uuid>  (101) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (101) 
0.09859661840971158

>  <SourceMolNum>  (101) 
51

>  <ConformerNum>  (101) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0605    1.5354    0.4803 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366    0.3660    0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.7521    0.6525 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -0.6264    0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950   -0.0609   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5112    0.3802   -0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173    0.0935    0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6690    0.1202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0243   -0.7222    1.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6762   -1.0475    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0018    0.1648    0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8429    1.1411    1.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3281    2.2724    1.6552 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2270    0.9455    1.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7900   -0.2156    0.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5272   -0.4538    0.6672 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9684   -1.1841    0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5830   -0.9991   -0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8195   -1.9402   -0.6223 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (102) 
976e9f26-877d-478b-905a-a05202926613

>  <source_uuid>  (102) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (102) 
0.09859661840971158

>  <SourceMolNum>  (102) 
51

>  <ConformerNum>  (102) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.4266   -1.7333    3.6618 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7154   -2.3487    2.2107 S   0  0  0  0  0  6  0  0  0  0  0  0
    5.6529   -3.3474    2.5761 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7611   -3.0500    1.3901 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0058   -1.0210    1.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6093   -0.8677    1.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0069    0.1786    0.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5389    0.3586    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0622    1.5281    0.4711 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514   -0.7607    0.6472 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.6238    0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1938   -0.0603   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5086    0.3812   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    0.0962    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869    0.6627    0.1329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0266   -0.7168    1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6787   -1.0440    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267    1.0904   -0.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2146    0.9500   -0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8117   -0.0984    0.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5690   -0.2029    0.5726 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
  7 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20  5  1  0
 17 11  1  0
M  END
>  <reactant_uuid>  (103) 
5a4becad-f348-49d1-ac6c-beb2169c7c93

>  <source_uuid>  (103) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (103) 
0.1019827446641862

>  <SourceMolNum>  (103) 
52

>  <ConformerNum>  (103) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.4266   -1.7333    3.6618 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7154   -2.3487    2.2107 S   0  0  0  0  0  6  0  0  0  0  0  0
    5.6529   -3.3474    2.5761 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7611   -3.0500    1.3901 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0058   -1.0210    1.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6093   -0.8677    1.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0069    0.1786    0.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5389    0.3586    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0622    1.5281    0.4711 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514   -0.7607    0.6472 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.6238    0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1938   -0.0603   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5086    0.3812   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    0.0962    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869    0.6627    0.1329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0266   -0.7168    1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6787   -1.0440    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267    1.0904   -0.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2146    0.9500   -0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8117   -0.0984    0.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5690   -0.2029    0.5726 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
  7 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20  5  1  0
 17 11  1  0
M  END
>  <reactant_uuid>  (104) 
5a4becad-f348-49d1-ac6c-beb2169c7c93

>  <source_uuid>  (104) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (104) 
0.1019827446641862

>  <SourceMolNum>  (104) 
52

>  <ConformerNum>  (104) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.9685   -3.4968   -0.6664 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5650   -3.1550   -0.1872 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.9582   -1.2593    0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7931   -0.1882    0.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2438    1.0653    0.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2946    2.4131    1.2709 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8560    1.2452    0.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0034    0.1679    0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371    0.3640    0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0604    1.5336    0.4809 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533   -0.7537    0.6560 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6265    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1921   -0.0624   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    0.3802   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4164    0.0959    0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6630    0.1317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0270   -0.7172    1.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6795   -1.0449    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5724   -1.0859    0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  2  0
 19  3  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (105) 
5e3deda4-7013-446e-9c01-0a22fc581bbf

>  <source_uuid>  (105) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (105) 
0.09858627063411789

>  <SourceMolNum>  (105) 
53

>  <ConformerNum>  (105) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.9685   -3.4968   -0.6664 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5650   -3.1550   -0.1872 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.9582   -1.2593    0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7931   -0.1882    0.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2438    1.0653    0.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2946    2.4131    1.2709 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8560    1.2452    0.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0034    0.1679    0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371    0.3640    0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0604    1.5336    0.4809 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533   -0.7537    0.6560 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6265    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1921   -0.0624   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    0.3802   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4164    0.0959    0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6630    0.1317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0270   -0.7172    1.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6795   -1.0449    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5724   -1.0859    0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  2  0
 19  3  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (106) 
5e3deda4-7013-446e-9c01-0a22fc581bbf

>  <source_uuid>  (106) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (106) 
0.09858627063411789

>  <SourceMolNum>  (106) 
53

>  <ConformerNum>  (106) 
2

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.4095    2.3011    1.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8952    1.0712    1.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2788    0.8214    1.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7761   -0.3197    0.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9017   -1.2257   -0.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3884   -2.3332   -0.7235 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5262   -0.9891   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0022    0.1590    0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    0.3690    0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572    1.5363    0.4748 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6547   -0.7518    0.6514 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545   -0.6262    0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1925   -0.0621   -0.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5074    0.3801   -0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4160    0.0955    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857    0.6624    0.1328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0255   -0.7175    1.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6775   -1.0450    1.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8  2  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (107) 
7f9e5369-41d6-46f6-a9cd-4714b72f608e

>  <source_uuid>  (107) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (107) 
0.09971878417458674

>  <SourceMolNum>  (107) 
54

>  <ConformerNum>  (107) 
1

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.4095    2.3011    1.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8952    1.0712    1.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2788    0.8214    1.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7761   -0.3197    0.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9017   -1.2257   -0.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3884   -2.3332   -0.7235 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5262   -0.9891   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0022    0.1590    0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    0.3690    0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572    1.5363    0.4748 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6547   -0.7518    0.6514 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545   -0.6262    0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1925   -0.0621   -0.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5074    0.3801   -0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4160    0.0955    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857    0.6624    0.1328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0255   -0.7175    1.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6775   -1.0450    1.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8  2  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (108) 
7f9e5369-41d6-46f6-a9cd-4714b72f608e

>  <source_uuid>  (108) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (108) 
0.09971878417458674

>  <SourceMolNum>  (108) 
54

>  <ConformerNum>  (108) 
2

$$$$

     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0602    1.5338    0.4812 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3643    0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7538    0.6539 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6265    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6694    0.1196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6771   -1.0473    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0036    0.1686    0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5733   -1.0808    0.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9597   -1.2565    0.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8107   -0.1855    0.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2828   -0.3721    0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8299   -1.5878    0.3437 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1744   -1.7788    0.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0206   -0.7190    0.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4516    0.5201    0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1021    0.6703    0.9393 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2400    1.0669    0.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8537    1.2423    0.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 14 21  1  0
 21 22  2  0
 10  4  1  0
 22 11  1  0
 20 15  1  0
M  END
>  <reactant_uuid>  (109) 
8d2d8892-c772-49a4-9d95-c5ac05636fff

>  <source_uuid>  (109) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (109) 
0.09910515669728139

>  <SourceMolNum>  (109) 
55

>  <ConformerNum>  (109) 
1

$$$$

     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0602    1.5338    0.4812 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3643    0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7538    0.6539 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6265    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6694    0.1196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6771   -1.0473    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0036    0.1686    0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5733   -1.0808    0.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9597   -1.2565    0.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8107   -0.1855    0.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2828   -0.3721    0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8299   -1.5878    0.3437 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1744   -1.7788    0.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0206   -0.7190    0.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4516    0.5201    0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1021    0.6703    0.9393 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2400    1.0669    0.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8537    1.2423    0.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 14 21  1  0
 21 22  2  0
 10  4  1  0
 22 11  1  0
 20 15  1  0
M  END
>  <reactant_uuid>  (110) 
8d2d8892-c772-49a4-9d95-c5ac05636fff

>  <source_uuid>  (110) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (110) 
0.09910515669728139

>  <SourceMolNum>  (110) 
55

>  <ConformerNum>  (110) 
2

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.8945   -1.8057   -1.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6476   -0.8713   -0.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0364   -1.0416   -0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7967   -0.1757    0.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2196   -0.3581    0.8841 N   0  0  0  0  0  4  0  0  0  0  0  0
    8.9006    0.4104    1.5945 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542   -1.3847    0.2229 O   0  0  0  0  0  1  0  0  0  0  0  0
    6.1485    0.8714    1.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7681    1.0396    1.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9987    0.1649    0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5354    0.3654    0.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0643    1.5369    0.4841 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6539   -0.7508    0.6541 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -0.6270    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0616   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5108    0.3798   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    0.0934    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6828    0.6691    0.1200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244   -0.7224    1.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6764   -1.0478    1.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  4  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 10  2  1  0
 20 14  1  0
M  CHG  2   5   1   7  -1
M  END
>  <reactant_uuid>  (111) 
2ad1d3ca-4941-4558-aed9-522a6ea51de9

>  <source_uuid>  (111) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (111) 
0.09699806189724604

>  <SourceMolNum>  (111) 
56

>  <ConformerNum>  (111) 
1

$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.8945   -1.8057   -1.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6476   -0.8713   -0.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0364   -1.0416   -0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7967   -0.1757    0.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2196   -0.3581    0.8841 N   0  0  0  0  0  4  0  0  0  0  0  0
    8.9006    0.4104    1.5945 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542   -1.3847    0.2229 O   0  0  0  0  0  1  0  0  0  0  0  0
    6.1485    0.8714    1.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7681    1.0396    1.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9987    0.1649    0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5354    0.3654    0.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0643    1.5369    0.4841 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6539   -0.7508    0.6541 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -0.6270    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0616   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5108    0.3798   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    0.0934    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6828    0.6691    0.1200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244   -0.7224    1.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6764   -1.0478    1.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  4  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 10  2  1  0
 20 14  1  0
M  CHG  2   5   1   7  -1
M  END
>  <reactant_uuid>  (112) 
2ad1d3ca-4941-4558-aed9-522a6ea51de9

>  <source_uuid>  (112) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (112) 
0.09699806189724604

>  <SourceMolNum>  (112) 
56

>  <ConformerNum>  (112) 
2

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0667    1.5370    0.4848 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5350    0.3647    0.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6539   -0.7503    0.6559 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.6271    0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1920   -0.0632   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5067    0.3794   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4159    0.0954    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6854    0.6626    0.1321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0261   -0.7176    1.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6784   -1.0455    1.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9948    0.1644    0.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7399    0.9360    1.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1332    0.7987    1.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7541   -0.1079    0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0595   -0.3852    0.6230 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -1.3045   -0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9133   -1.6156   -0.8965 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620   -0.8485   -0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6686   -0.7561   -0.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9633   -1.5177   -1.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5384   -0.3276   -2.8868 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 10  4  1  0
 19 11  1  0
 18 14  1  0
M  END
>  <reactant_uuid>  (113) 
8859d496-6812-4627-adda-f44727ab6adf

>  <source_uuid>  (113) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (113) 
0.09582126890957396

>  <SourceMolNum>  (113) 
57

>  <ConformerNum>  (113) 
1

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0667    1.5370    0.4848 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5350    0.3647    0.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6539   -0.7503    0.6559 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.6271    0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1920   -0.0632   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5067    0.3794   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4159    0.0954    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6854    0.6626    0.1321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0261   -0.7176    1.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6784   -1.0455    1.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9948    0.1644    0.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7399    0.9360    1.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1332    0.7987    1.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7541   -0.1079    0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0595   -0.3852    0.6230 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -1.3045   -0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9133   -1.6156   -0.8965 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620   -0.8485   -0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6686   -0.7561   -0.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9633   -1.5177   -1.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5384   -0.3276   -2.8868 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 10  4  1  0
 19 11  1  0
 18 14  1  0
M  END
>  <reactant_uuid>  (114) 
8859d496-6812-4627-adda-f44727ab6adf

>  <source_uuid>  (114) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (114) 
0.09582126890957396

>  <SourceMolNum>  (114) 
57

>  <ConformerNum>  (114) 
2

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.0646    1.5359    0.4833 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    0.3645    0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6536   -0.7511    0.6555 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2539   -0.6268    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1922   -0.0629   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5070    0.3797   -0.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161    0.0955    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857    0.6627    0.1321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0265   -0.7176    1.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6787   -1.0453    1.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9982    0.1654    0.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7849    1.0895    1.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1583    0.8775    1.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0872    1.6072    1.9510 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2479    0.9627    1.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0867   -0.1434    0.9084 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7580   -0.1712    0.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0323   -1.0962   -0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6355   -0.9266   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7405   -2.0493   -1.1502 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 10  4  1  0
 19 11  1  0
 17 13  2  0
M  END
>  <reactant_uuid>  (115) 
bb9614a5-c646-420a-842d-7dcaf1ca13c9

>  <source_uuid>  (115) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (115) 
0.0965013897393251

>  <SourceMolNum>  (115) 
58

>  <ConformerNum>  (115) 
1

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.0646    1.5359    0.4833 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    0.3645    0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6536   -0.7511    0.6555 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2539   -0.6268    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1922   -0.0629   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5070    0.3797   -0.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161    0.0955    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857    0.6627    0.1321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0265   -0.7176    1.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6787   -1.0453    1.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9982    0.1654    0.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7849    1.0895    1.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1583    0.8775    1.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0872    1.6072    1.9510 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2479    0.9627    1.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0867   -0.1434    0.9084 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7580   -0.1712    0.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0323   -1.0962   -0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6355   -0.9266   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7405   -2.0493   -1.1502 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 10  4  1  0
 19 11  1  0
 17 13  2  0
M  END
>  <reactant_uuid>  (116) 
bb9614a5-c646-420a-842d-7dcaf1ca13c9

>  <source_uuid>  (116) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (116) 
0.0965013897393251

>  <SourceMolNum>  (116) 
58

>  <ConformerNum>  (116) 
2

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.0619    1.5346    0.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.3644    0.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6539   -0.7527    0.6540 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2539   -0.6266    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0610   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3802   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173    0.0936    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6693    0.1198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248   -0.7222    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768   -1.0474    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0014    0.1676    0.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    1.2088    1.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2346    1.0493    1.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7676   -0.1537    0.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0630   -0.5130    0.5830 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0103   -1.7631    0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7516   -2.1795   -0.2257 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9794   -1.1518    0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5927   -1.0378    0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8555   -2.0425   -0.4629 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 10  4  1  0
 19 11  1  0
 18 14  1  0
M  END
>  <reactant_uuid>  (117) 
196ba607-c2f7-41e1-aa84-5145f48daab7

>  <source_uuid>  (117) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (117) 
0.09829885941811226

>  <SourceMolNum>  (117) 
59

>  <ConformerNum>  (117) 
1

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.0619    1.5346    0.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.3644    0.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6539   -0.7527    0.6540 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2539   -0.6266    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0610   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3802   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173    0.0936    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6693    0.1198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248   -0.7222    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768   -1.0474    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0014    0.1676    0.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    1.2088    1.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2346    1.0493    1.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7676   -0.1537    0.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0630   -0.5130    0.5830 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0103   -1.7631    0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7516   -2.1795   -0.2257 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9794   -1.1518    0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5927   -1.0378    0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8555   -2.0425   -0.4629 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 10  4  1  0
 19 11  1  0
 18 14  1  0
M  END
>  <reactant_uuid>  (118) 
196ba607-c2f7-41e1-aa84-5145f48daab7

>  <source_uuid>  (118) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (118) 
0.09829885941811226

>  <SourceMolNum>  (118) 
59

>  <ConformerNum>  (118) 
2

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.2511   -0.2131    0.5620 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8183   -0.1048    0.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2098    0.9281   -0.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9643    1.8065   -0.8647 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8230    1.0687   -0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0065    0.1785    0.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388    0.3592    0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.5287    0.4709 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6519   -0.7605    0.6445 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526   -0.6237    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967   -0.0587   -0.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5128    0.3815   -0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4182    0.0941    0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842    0.6689    0.1210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244   -0.7217    1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6760   -1.0464    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6072   -0.8474    1.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0086   -1.0083    1.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6236   -2.1291    2.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3503   -2.9645    1.3007 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -2.8937    2.7694 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4592   -1.5974    3.0957 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 18  2  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (119) 
4159bb0d-6115-4ec7-9e6a-29bb2ddc39b5

>  <source_uuid>  (119) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (119) 
0.10245715094442462

>  <SourceMolNum>  (119) 
60

>  <ConformerNum>  (119) 
1

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.2511   -0.2131    0.5620 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8183   -0.1048    0.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2098    0.9281   -0.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9643    1.8065   -0.8647 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8230    1.0687   -0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0065    0.1785    0.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388    0.3592    0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.5287    0.4709 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6519   -0.7605    0.6445 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526   -0.6237    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967   -0.0587   -0.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5128    0.3815   -0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4182    0.0941    0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842    0.6689    0.1210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244   -0.7217    1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6760   -1.0464    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6072   -0.8474    1.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0086   -1.0083    1.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6236   -2.1291    2.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3503   -2.9645    1.3007 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -2.8937    2.7694 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4592   -1.5974    3.0957 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 18  2  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (120) 
4159bb0d-6115-4ec7-9e6a-29bb2ddc39b5

>  <source_uuid>  (120) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (120) 
0.10245715094442462

>  <SourceMolNum>  (120) 
60

>  <ConformerNum>  (120) 
2

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.0834    2.1685    1.2555 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2398    1.0664    0.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    1.2364    0.8715 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0037    0.1680    0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3645    0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0602    1.5340    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6536   -0.7535    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0937    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7221    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5720   -1.0766    0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9659   -1.2657    0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5846   -2.5972   -0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3288   -2.4609   -1.2680 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6241   -3.5729   -0.3150 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4155   -3.0140    0.9141 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7956   -0.1834    0.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1445   -0.3439    0.6152 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
  4 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 16 21  2  0
 21 22  1  0
 21  2  1  0
 14  8  1  0
M  END
>  <reactant_uuid>  (121) 
019b6c35-ce6d-478a-8073-d4dc67676e8f

>  <source_uuid>  (121) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (121) 
0.09902231348073433

>  <SourceMolNum>  (121) 
61

>  <ConformerNum>  (121) 
1

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.0834    2.1685    1.2555 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2398    1.0664    0.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    1.2364    0.8715 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0037    0.1680    0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3645    0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0602    1.5340    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6536   -0.7535    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0937    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7221    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5720   -1.0766    0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9659   -1.2657    0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5846   -2.5972   -0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3288   -2.4609   -1.2680 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6241   -3.5729   -0.3150 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4155   -3.0140    0.9141 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7956   -0.1834    0.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1445   -0.3439    0.6152 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
  4 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 16 21  2  0
 21 22  1  0
 21  2  1  0
 14  8  1  0
M  END
>  <reactant_uuid>  (122) 
019b6c35-ce6d-478a-8073-d4dc67676e8f

>  <source_uuid>  (122) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (122) 
0.09902231348073433

>  <SourceMolNum>  (122) 
61

>  <ConformerNum>  (122) 
2

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.5556   -2.4066   -0.4197 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9930   -1.1892    0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8122   -0.1698    0.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3182   -0.3236    0.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6317   -1.4400    1.4890 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8439   -0.4637   -0.5371 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9175    0.7747    1.3280 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2037    1.0091    1.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8214    1.1755    1.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0021    0.1672    0.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5367    0.3646    0.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0617    1.5348    0.4821 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538   -0.7525    0.6537 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6266    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950   -0.0610   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5111    0.3802   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0936    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6692    0.1199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -0.7222    1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768   -1.0475    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5971   -1.0092    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8265   -1.9686   -0.5340 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  3  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 10 21  2  0
 21 22  1  0
 21  2  1  0
 20 14  1  0
M  END
>  <reactant_uuid>  (123) 
4b1a9a3c-f701-45e4-9b3f-aae434e0a374

>  <source_uuid>  (123) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (123) 
0.09816736556076248

>  <SourceMolNum>  (123) 
62

>  <ConformerNum>  (123) 
1

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.5556   -2.4066   -0.4197 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9930   -1.1892    0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8122   -0.1698    0.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3182   -0.3236    0.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6317   -1.4400    1.4890 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8439   -0.4637   -0.5371 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9175    0.7747    1.3280 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2037    1.0091    1.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8214    1.1755    1.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0021    0.1672    0.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5367    0.3646    0.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0617    1.5348    0.4821 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538   -0.7525    0.6537 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6266    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950   -0.0610   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5111    0.3802   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0936    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6692    0.1199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -0.7222    1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768   -1.0475    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5971   -1.0092    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8265   -1.9686   -0.5340 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  3  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 10 21  2  0
 21 22  1  0
 21  2  1  0
 20 14  1  0
M  END
>  <reactant_uuid>  (124) 
4b1a9a3c-f701-45e4-9b3f-aae434e0a374

>  <source_uuid>  (124) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (124) 
0.09816736556076248

>  <SourceMolNum>  (124) 
62

>  <ConformerNum>  (124) 
2

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.1897   -0.4747    0.2223 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7791   -0.2638    0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8912   -1.1015   -0.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5186   -0.8884   -0.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9990    0.1589    0.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5354    0.3696    0.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0593    1.5378    0.4728 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6555   -0.7522    0.6473 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2548   -0.6261    0.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1954   -0.0604   -0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5115    0.3804   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4169    0.0933    0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    0.6684    0.1212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0229   -0.7224    1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6743   -1.0474    1.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8874    0.9800    1.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3698    2.0727    2.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2514    1.6373    2.9042 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0445    3.1905    1.4694 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    2.4358    3.1630 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2822    0.7786    1.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1685    1.5966    1.7718 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  5 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 16 21  2  0
 21 22  1  0
 21  2  1  0
 15  9  1  0
M  END
>  <reactant_uuid>  (125) 
9642a632-7d42-4e7e-9e1e-55575048fc5c

>  <source_uuid>  (125) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (125) 
0.10074882041839807

>  <SourceMolNum>  (125) 
63

>  <ConformerNum>  (125) 
1

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.1897   -0.4747    0.2223 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7791   -0.2638    0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8912   -1.1015   -0.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5186   -0.8884   -0.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9990    0.1589    0.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5354    0.3696    0.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0593    1.5378    0.4728 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6555   -0.7522    0.6473 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2548   -0.6261    0.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1954   -0.0604   -0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5115    0.3804   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4169    0.0933    0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    0.6684    0.1212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0229   -0.7224    1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6743   -1.0474    1.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8874    0.9800    1.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3698    2.0727    2.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2514    1.6373    2.9042 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0445    3.1905    1.4694 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    2.4358    3.1630 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2822    0.7786    1.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1685    1.5966    1.7718 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  5 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 16 21  2  0
 21 22  1  0
 21  2  1  0
 15  9  1  0
M  END
>  <reactant_uuid>  (126) 
9642a632-7d42-4e7e-9e1e-55575048fc5c

>  <source_uuid>  (126) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (126) 
0.10074882041839807

>  <SourceMolNum>  (126) 
63

>  <ConformerNum>  (126) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    9.6035    1.6667   -0.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8356    0.4159   -0.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6551    0.1000   -1.9465 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2744   -0.4477    0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7859   -0.2555    0.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9133   -1.1105   -0.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5342   -0.9075   -0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9975    0.1595    0.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5355    0.3687    0.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0600    1.5374    0.4722 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -0.7528    0.6492 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2548   -0.6264    0.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1925   -0.0620   -0.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5074    0.3802   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4158    0.0956    0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6855    0.6623    0.1333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -0.7174    1.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768   -1.0451    1.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8756    1.0180    1.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3885    2.0658    2.0955 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2615    0.8105    1.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  1  0
 19 20  1  0
 19 21  2  0
 21  5  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (127) 
b4726543-516e-42be-b0ae-bc33d827a6ff

>  <source_uuid>  (127) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (127) 
0.10042330705935512

>  <SourceMolNum>  (127) 
64

>  <ConformerNum>  (127) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    9.6035    1.6667   -0.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8356    0.4159   -0.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6551    0.1000   -1.9465 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2744   -0.4477    0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7859   -0.2555    0.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9133   -1.1105   -0.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5342   -0.9075   -0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9975    0.1595    0.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5355    0.3687    0.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0600    1.5374    0.4722 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -0.7528    0.6492 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2548   -0.6264    0.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1925   -0.0620   -0.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5074    0.3802   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4158    0.0956    0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6855    0.6623    0.1333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -0.7174    1.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768   -1.0451    1.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8756    1.0180    1.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3885    2.0658    2.0955 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2615    0.8105    1.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  1  0
 19 20  1  0
 19 21  2  0
 21  5  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (128) 
b4726543-516e-42be-b0ae-bc33d827a6ff

>  <source_uuid>  (128) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (128) 
0.10042330705935512

>  <SourceMolNum>  (128) 
64

>  <ConformerNum>  (128) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.1354    1.7214    3.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5545    1.2631    3.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4636    2.0306    3.8582 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8783   -0.1264    3.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6374   -0.0810    1.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0343   -0.2294    1.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7814   -0.1525    0.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1494    0.0834   -0.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7591    0.2477   -0.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1453    0.4885   -1.9106 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9912    0.1662    0.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5340    0.3648    0.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0679    1.5369    0.4709 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6554   -0.7561    0.6391 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2548   -0.6259    0.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1969   -0.0603   -0.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5128    0.3805   -0.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4169    0.0934    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6678    0.1228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0213   -0.7214    1.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6722   -1.0459    1.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11  5  1  0
 21 15  1  0
M  END
>  <reactant_uuid>  (129) 
05704f4a-ec21-4ee8-807c-e7c909d884e5

>  <source_uuid>  (129) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (129) 
0.09994443129774508

>  <SourceMolNum>  (129) 
65

>  <ConformerNum>  (129) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.1354    1.7214    3.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5545    1.2631    3.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4636    2.0306    3.8582 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8783   -0.1264    3.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6374   -0.0810    1.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0343   -0.2294    1.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7814   -0.1525    0.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1494    0.0834   -0.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7591    0.2477   -0.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1453    0.4885   -1.9106 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9912    0.1662    0.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5340    0.3648    0.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0679    1.5369    0.4709 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6554   -0.7561    0.6391 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2548   -0.6259    0.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1969   -0.0603   -0.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5128    0.3805   -0.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4169    0.0934    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.6678    0.1228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0213   -0.7214    1.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6722   -1.0459    1.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11  5  1  0
 21 15  1  0
M  END
>  <reactant_uuid>  (130) 
05704f4a-ec21-4ee8-807c-e7c909d884e5

>  <source_uuid>  (130) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (130) 
0.09994443129774508

>  <SourceMolNum>  (130) 
65

>  <ConformerNum>  (130) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    5.4414   -4.0712    2.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4727   -3.1169    2.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2961   -3.5146    1.5064 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5009   -1.6786    2.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9333   -0.7974    1.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7803   -0.1782    0.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2493    0.6155   -0.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8631    0.7950   -0.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3568    1.5750   -1.4794 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9978    0.1688    0.5427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5363    0.3631    0.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0656    1.5344    0.4749 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533   -0.7555    0.6493 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6256    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1930   -0.0611   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5079    0.3806   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    0.0956    0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6861    0.6622    0.1332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0257   -0.7176    1.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6776   -1.0451    1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5458   -0.6271    1.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 10 21  2  0
 21  5  1  0
 20 14  1  0
M  END
>  <reactant_uuid>  (131) 
9c2c74c3-d8b1-4a60-8b40-f7a73c6b2b67

>  <source_uuid>  (131) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (131) 
0.09861187014888761

>  <SourceMolNum>  (131) 
66

>  <ConformerNum>  (131) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    5.4414   -4.0712    2.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4727   -3.1169    2.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2961   -3.5146    1.5064 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5009   -1.6786    2.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9333   -0.7974    1.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7803   -0.1782    0.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2493    0.6155   -0.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8631    0.7950   -0.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3568    1.5750   -1.4794 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9978    0.1688    0.5427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5363    0.3631    0.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0656    1.5344    0.4749 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533   -0.7555    0.6493 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6256    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1930   -0.0611   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5079    0.3806   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    0.0956    0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6861    0.6622    0.1332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0257   -0.7176    1.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6776   -1.0451    1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5458   -0.6271    1.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 10 21  2  0
 21  5  1  0
 20 14  1  0
M  END
>  <reactant_uuid>  (132) 
9c2c74c3-d8b1-4a60-8b40-f7a73c6b2b67

>  <source_uuid>  (132) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (132) 
0.09861187014888761

>  <SourceMolNum>  (132) 
66

>  <ConformerNum>  (132) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0667    1.5353    0.4730 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5356    0.3636    0.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7558    0.6477 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -0.6257    0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931   -0.0612   -0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5079    0.3806   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162    0.0956    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6860    0.6621    0.1334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0252   -0.7175    1.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0450    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9954    0.1680    0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5870   -0.4857    1.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7992   -0.9320    2.7047 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9756   -0.6699    1.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7790   -0.1970    0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042    0.4635   -0.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0004    0.9155   -1.4423 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8164    0.6518   -0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0735    1.5292   -2.0403 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (133) 
b015ea5c-ea0e-40cd-bfec-427b6d6defcc

>  <source_uuid>  (133) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (133) 
0.09943813996435222

>  <SourceMolNum>  (133) 
67

>  <ConformerNum>  (133) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0667    1.5353    0.4730 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5356    0.3636    0.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7558    0.6477 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -0.6257    0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931   -0.0612   -0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5079    0.3806   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162    0.0956    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6860    0.6621    0.1334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0252   -0.7175    1.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0450    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9954    0.1680    0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5870   -0.4857    1.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7992   -0.9320    2.7047 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9756   -0.6699    1.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7790   -0.1970    0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042    0.4635   -0.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0004    0.9155   -1.4423 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8164    0.6518   -0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0735    1.5292   -2.0403 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (134) 
b015ea5c-ea0e-40cd-bfec-427b6d6defcc

>  <source_uuid>  (134) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (134) 
0.09943813996435222

>  <SourceMolNum>  (134) 
67

>  <ConformerNum>  (134) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0618    1.5348    0.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5368    0.3645    0.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538   -0.7525    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6266    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949   -0.0610   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5111    0.3802   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0936    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6693    0.1198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248   -0.7222    1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768   -1.0475    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0019    0.1674    0.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8255    1.1825    1.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2096    1.0125    1.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7997   -0.1662    0.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1872   -0.2919    0.7218 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9888   -1.1870    0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7456   -2.8178   -0.5630 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5968   -1.0163    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8352   -1.9893   -0.5116 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (135) 
0b6e5925-b152-4b5b-9478-f77f849b02f4

>  <source_uuid>  (135) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (135) 
0.0982022900238365

>  <SourceMolNum>  (135) 
68

>  <ConformerNum>  (135) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0618    1.5348    0.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5368    0.3645    0.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538   -0.7525    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6266    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949   -0.0610   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5111    0.3802   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0936    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6693    0.1198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248   -0.7222    1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768   -1.0475    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0019    0.1674    0.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8255    1.1825    1.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2096    1.0125    1.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7997   -0.1662    0.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1872   -0.2919    0.7218 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9888   -1.1870    0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7456   -2.8178   -0.5630 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5968   -1.0163    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8352   -1.9893   -0.5116 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (136) 
0b6e5925-b152-4b5b-9478-f77f849b02f4

>  <source_uuid>  (136) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (136) 
0.0982022900238365

>  <SourceMolNum>  (136) 
68

>  <ConformerNum>  (136) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0623    1.5352    0.4824 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365    0.3646    0.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7521    0.6536 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6267    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950   -0.0611   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5111    0.3801   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0936    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6692    0.1200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -0.7222    1.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6767   -1.0476    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0018    0.1669    0.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8091    1.1541    1.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1920    0.9900    1.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7910   -0.1563    0.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -0.3001    0.7616 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0095   -1.1461    0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8909   -2.6947   -0.6450 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6091   -0.9847   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8157   -1.9381   -0.6600 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (137) 
78c43da5-eae6-4ce0-8f69-39a3185c1486

>  <source_uuid>  (137) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (137) 
0.09788942500547246

>  <SourceMolNum>  (137) 
69

>  <ConformerNum>  (137) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0623    1.5352    0.4824 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365    0.3646    0.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7521    0.6536 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6267    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950   -0.0611   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5111    0.3801   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0936    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6692    0.1200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -0.7222    1.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6767   -1.0476    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0018    0.1669    0.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8091    1.1541    1.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1920    0.9900    1.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7910   -0.1563    0.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -0.3001    0.7616 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0095   -1.1461    0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8909   -2.6947   -0.6450 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6091   -0.9847   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8157   -1.9381   -0.6600 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (138) 
78c43da5-eae6-4ce0-8f69-39a3185c1486

>  <source_uuid>  (138) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (138) 
0.09788942500547246

>  <SourceMolNum>  (138) 
69

>  <ConformerNum>  (138) 
2

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0606    1.5339    0.4813 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3643    0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6539 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0029    0.1685    0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5757   -1.0968    0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9754   -1.2877    0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5782   -2.6356   -0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -3.3953    1.1385 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7665   -0.1924    0.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1073   -0.1395    0.7179 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3329    1.1500    1.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2008    1.8840    1.1948 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2230    1.0221    0.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    1.2516    0.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 10  4  1  0
 21 11  1  0
 20 16  1  0
M  END
>  <reactant_uuid>  (139) 
e8e507bf-37f3-4802-a3b7-f9c04f3294b9

>  <source_uuid>  (139) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (139) 
0.09902659388136201

>  <SourceMolNum>  (139) 
70

>  <ConformerNum>  (139) 
1

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0606    1.5339    0.4813 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    0.3643    0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6539 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0029    0.1685    0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5757   -1.0968    0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9754   -1.2877    0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5782   -2.6356   -0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -3.3953    1.1385 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7665   -0.1924    0.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1073   -0.1395    0.7179 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3329    1.1500    1.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2008    1.8840    1.1948 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2230    1.0221    0.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    1.2516    0.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 10  4  1  0
 21 11  1  0
 20 16  1  0
M  END
>  <reactant_uuid>  (140) 
e8e507bf-37f3-4802-a3b7-f9c04f3294b9

>  <source_uuid>  (140) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (140) 
0.09902659388136201

>  <SourceMolNum>  (140) 
70

>  <ConformerNum>  (140) 
2

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.0604    1.5338    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5373    0.3643    0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6539 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5109    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6694    0.1196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6771   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0031    0.1685    0.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8604    1.2612    0.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2582    1.0950    0.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3344    2.4712    1.2704 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7653   -0.1716    0.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0415   -0.5774    0.5529 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9613   -1.8871    0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6871   -2.3243    0.0411 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9554   -1.2218    0.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5698   -1.0965    0.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 10  4  1  0
 20 11  1  0
 19 15  1  0
M  END
>  <reactant_uuid>  (141) 
2d0a1c54-9f3e-493f-9a2a-f55c83bfa825

>  <source_uuid>  (141) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (141) 
0.0991355831309629

>  <SourceMolNum>  (141) 
71

>  <ConformerNum>  (141) 
1

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.0604    1.5338    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5373    0.3643    0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6539 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5109    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6694    0.1196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6771   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0031    0.1685    0.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8604    1.2612    0.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2582    1.0950    0.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3344    2.4712    1.2704 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7653   -0.1716    0.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0415   -0.5774    0.5529 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9613   -1.8871    0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6871   -2.3243    0.0411 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9554   -1.2218    0.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5698   -1.0965    0.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 10  4  1  0
 20 11  1  0
 19 15  1  0
M  END
>  <reactant_uuid>  (142) 
2d0a1c54-9f3e-493f-9a2a-f55c83bfa825

>  <source_uuid>  (142) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (142) 
0.0991355831309629

>  <SourceMolNum>  (142) 
71

>  <ConformerNum>  (142) 
2

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.0615    1.5351    0.4813 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5363    0.3651    0.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7520    0.6553 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2539   -0.6267    0.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1922   -0.0626   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5070    0.3799   -0.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162    0.0957    0.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857    0.6628    0.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0265   -0.7174    1.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6789   -1.0451    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    0.1651    0.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6178   -0.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8472   -1.9806   -0.6218 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0245   -1.1594    0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8314   -0.1703    0.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    0.9633    1.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7558    2.0228    1.7557 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7039    2.8209    2.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5084    2.3056    1.6661 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8485    1.1322    1.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 10  4  1  0
 20 11  1  0
 20 16  2  0
M  END
>  <reactant_uuid>  (143) 
63dae275-6c1b-4402-8beb-8b597b89e012

>  <source_uuid>  (143) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (143) 
0.09772439060991783

>  <SourceMolNum>  (143) 
72

>  <ConformerNum>  (143) 
1

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.0615    1.5351    0.4813 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5363    0.3651    0.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7520    0.6553 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2539   -0.6267    0.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1922   -0.0626   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5070    0.3799   -0.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162    0.0957    0.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857    0.6628    0.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0265   -0.7174    1.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6789   -1.0451    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    0.1651    0.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6178   -0.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8472   -1.9806   -0.6218 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0245   -1.1594    0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8314   -0.1703    0.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    0.9633    1.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7558    2.0228    1.7557 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7039    2.8209    2.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5084    2.3056    1.6661 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8485    1.1322    1.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 10  4  1  0
 20 11  1  0
 20 16  2  0
M  END
>  <reactant_uuid>  (144) 
63dae275-6c1b-4402-8beb-8b597b89e012

>  <source_uuid>  (144) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (144) 
0.09772439060991783

>  <SourceMolNum>  (144) 
72

>  <ConformerNum>  (144) 
2

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.4800    0.4890   -1.5115 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2138    0.3356   -0.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0515    0.7588   -1.4368 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1414    0.4176   -0.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7655    0.6172   -0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9924    0.1684    0.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5361    0.3635    0.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0686    1.5353    0.4691 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540   -0.7569    0.6436 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -0.6252    0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1938   -0.0611   -0.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5086    0.3806   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162    0.0955    0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    0.6617    0.1342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0245   -0.7173    1.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759   -1.0444    1.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6342   -0.4408    1.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6666   -0.9512    3.2405 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0316   -0.6225    1.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7461   -0.1817    0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0658   -0.2417    0.3418 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21  2  1  0
 20  4  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (145) 
700c1cfd-2735-42e8-bc6e-b2eac447290c

>  <source_uuid>  (145) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (145) 
0.10085118763310628

>  <SourceMolNum>  (145) 
73

>  <ConformerNum>  (145) 
1

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.4800    0.4890   -1.5115 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2138    0.3356   -0.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0515    0.7588   -1.4368 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1414    0.4176   -0.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7655    0.6172   -0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9924    0.1684    0.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5361    0.3635    0.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0686    1.5353    0.4691 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540   -0.7569    0.6436 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -0.6252    0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1938   -0.0611   -0.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5086    0.3806   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162    0.0955    0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    0.6617    0.1342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0245   -0.7173    1.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759   -1.0444    1.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6342   -0.4408    1.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6666   -0.9512    3.2405 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0316   -0.6225    1.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7461   -0.1817    0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0658   -0.2417    0.3418 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21  2  1  0
 20  4  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (146) 
700c1cfd-2735-42e8-bc6e-b2eac447290c

>  <source_uuid>  (146) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (146) 
0.10085118763310628

>  <SourceMolNum>  (146) 
73

>  <ConformerNum>  (146) 
2

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    9.3958   -0.3515    0.6057 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2443   -0.2373    0.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8119   -0.0952    0.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2217    0.9817   -0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308    1.1209   -0.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0083    0.1801    0.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392    0.3584    0.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0616    1.5276    0.4718 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6515   -0.7608    0.6458 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2524   -0.6236    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1965   -0.0586   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5127    0.3816   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4183    0.0942    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842    0.6691    0.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248   -0.7216    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766   -1.0463    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6138   -0.8939    1.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0057   -1.0298    1.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  1  0
 17 18  2  0
 18  3  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (147) 
4b8b0bd8-b348-48d0-a274-308595350a49

>  <source_uuid>  (147) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (147) 
0.10258608529506909

>  <SourceMolNum>  (147) 
74

>  <ConformerNum>  (147) 
1

$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    9.3958   -0.3515    0.6057 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2443   -0.2373    0.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8119   -0.0952    0.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2217    0.9817   -0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308    1.1209   -0.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0083    0.1801    0.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392    0.3584    0.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0616    1.5276    0.4718 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6515   -0.7608    0.6458 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2524   -0.6236    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1965   -0.0586   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5127    0.3816   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4183    0.0942    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842    0.6691    0.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248   -0.7216    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766   -1.0463    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6138   -0.8939    1.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0057   -1.0298    1.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  6 17  1  0
 17 18  2  0
 18  3  1  0
 16 10  1  0
M  END
>  <reactant_uuid>  (148) 
4b8b0bd8-b348-48d0-a274-308595350a49

>  <source_uuid>  (148) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (148) 
0.10258608529506909

>  <SourceMolNum>  (148) 
74

>  <ConformerNum>  (148) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0617    1.5347    0.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5368    0.3645    0.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538   -0.7526    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6266    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949   -0.0610   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5111    0.3802   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0936    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6693    0.1198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248   -0.7222    1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768   -1.0474    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0019    0.1675    0.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8288    1.1878    1.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2163    1.0195    1.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0124    2.0406    1.6094 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7923   -0.1704    0.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847   -1.1845    0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5520   -2.3273   -0.3437 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5960   -1.0207    0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8435   -2.0046   -0.4955 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (149) 
3921ace2-0c0b-40d4-a6fc-f67979805164

>  <source_uuid>  (149) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (149) 
0.09824682959646563

>  <SourceMolNum>  (149) 
75

>  <ConformerNum>  (149) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0617    1.5347    0.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5368    0.3645    0.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538   -0.7526    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6266    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949   -0.0610   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5111    0.3802   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0936    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6693    0.1198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248   -0.7222    1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768   -1.0474    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0019    0.1675    0.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8288    1.1878    1.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2163    1.0195    1.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0124    2.0406    1.6094 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7923   -0.1704    0.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847   -1.1845    0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5520   -2.3273   -0.3437 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5960   -1.0207    0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8435   -2.0046   -0.4955 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (150) 
3921ace2-0c0b-40d4-a6fc-f67979805164

>  <source_uuid>  (150) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (150) 
0.09824682959646563

>  <SourceMolNum>  (150) 
75

>  <ConformerNum>  (150) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0606    1.5352    0.4801 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365    0.3657    0.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6539   -0.7521    0.6544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -0.6266    0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1923   -0.0625   -0.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5071    0.3799   -0.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162    0.0957    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6627    0.1322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0264   -0.7174    1.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6787   -1.0450    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0017    0.1642    0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5814   -0.9981   -0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8171   -1.9366   -0.6285 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9660   -1.1840    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7878   -0.2192    0.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2293    0.9443    1.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0438    1.9131    1.7376 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8428    1.1387    1.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3225    2.2668    1.6623 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (151) 
a21654e5-23ce-465b-95b1-b6582afd3a52

>  <source_uuid>  (151) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (151) 
0.09807414765860711

>  <SourceMolNum>  (151) 
76

>  <ConformerNum>  (151) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0606    1.5352    0.4801 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365    0.3657    0.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6539   -0.7521    0.6544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -0.6266    0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1923   -0.0625   -0.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5071    0.3799   -0.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162    0.0957    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6627    0.1322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0264   -0.7174    1.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6787   -1.0450    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0017    0.1642    0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5814   -0.9981   -0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8171   -1.9366   -0.6285 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9660   -1.1840    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7878   -0.2192    0.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2293    0.9443    1.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0438    1.9131    1.7376 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8428    1.1387    1.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3225    2.2668    1.6623 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (152) 
a21654e5-23ce-465b-95b1-b6582afd3a52

>  <source_uuid>  (152) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (152) 
0.09807414765860711

>  <SourceMolNum>  (152) 
76

>  <ConformerNum>  (152) 
2

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    5.3388   -3.5169    3.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3549   -2.3964    3.5005 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8045   -0.7938    4.4622 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.6052   -2.1496    2.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3444   -2.9566    1.4050 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0080   -1.0136    1.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6100   -0.8629    1.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0070    0.1789    0.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5389    0.3584    0.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0623    1.5279    0.4711 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6513   -0.7608    0.6473 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.6237    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1938   -0.0602   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5086    0.3813   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    0.0962    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869    0.6627    0.1329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0266   -0.7169    1.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6787   -1.0440    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8247    1.0835   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2121    0.9427   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8174   -0.0971    0.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2495   -0.1771    0.6074 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21  6  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (153) 
fac2a233-8538-47d5-9331-353750bd138d

>  <source_uuid>  (153) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (153) 
0.10198160862580648

>  <SourceMolNum>  (153) 
77

>  <ConformerNum>  (153) 
1

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    5.3388   -3.5169    3.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3549   -2.3964    3.5005 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8045   -0.7938    4.4622 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.6052   -2.1496    2.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3444   -2.9566    1.4050 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0080   -1.0136    1.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6100   -0.8629    1.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0070    0.1789    0.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5389    0.3584    0.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0623    1.5279    0.4711 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6513   -0.7608    0.6473 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.6237    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1938   -0.0602   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5086    0.3813   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    0.0962    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869    0.6627    0.1329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0266   -0.7169    1.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6787   -1.0440    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8247    1.0835   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2121    0.9427   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8174   -0.0971    0.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2495   -0.1771    0.6074 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21  6  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (154) 
fac2a233-8538-47d5-9331-353750bd138d

>  <source_uuid>  (154) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (154) 
0.10198160862580648

>  <SourceMolNum>  (154) 
77

>  <ConformerNum>  (154) 
2

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.6829   -3.9274   -2.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4298   -3.0215   -0.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2670   -3.8096    0.5830 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8742   -1.5982   -1.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4935   -1.0273   -2.3176 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6478   -0.8039   -0.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573   -0.9355   -0.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7744   -1.8420   -1.0485 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7804   -0.1438    0.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1319    0.7981    1.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7516    0.9603    1.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9954    0.1624    0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344    0.3665    0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0660    1.5387    0.4866 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540   -0.7488    0.6560 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2543   -0.6272    0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1942   -0.0625   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103    0.3792   -0.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4167    0.0932    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6824    0.6691    0.1196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0242   -0.7226    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6763   -1.0481    1.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 12  6  1  0
 22 16  1  0
M  END
>  <reactant_uuid>  (155) 
2835856d-be4b-477d-abd9-612ff2ec7360

>  <source_uuid>  (155) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (155) 
0.09655542513647816

>  <SourceMolNum>  (155) 
78

>  <ConformerNum>  (155) 
1

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.6829   -3.9274   -2.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4298   -3.0215   -0.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2670   -3.8096    0.5830 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8742   -1.5982   -1.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4935   -1.0273   -2.3176 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6478   -0.8039   -0.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573   -0.9355   -0.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7744   -1.8420   -1.0485 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7804   -0.1438    0.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1319    0.7981    1.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7516    0.9603    1.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9954    0.1624    0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344    0.3665    0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0660    1.5387    0.4866 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540   -0.7488    0.6560 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2543   -0.6272    0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1942   -0.0625   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103    0.3792   -0.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4167    0.0932    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6824    0.6691    0.1196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0242   -0.7226    1.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6763   -1.0481    1.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 12  6  1  0
 22 16  1  0
M  END
>  <reactant_uuid>  (156) 
2835856d-be4b-477d-abd9-612ff2ec7360

>  <source_uuid>  (156) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (156) 
0.09655542513647816

>  <SourceMolNum>  (156) 
78

>  <ConformerNum>  (156) 
2

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.1040   -1.7903    4.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7586   -1.8198    3.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7680   -1.5427    4.1854 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6076   -2.1890    2.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5705   -3.8323    1.9131 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0061   -1.0338    1.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6062   -0.8581    1.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0064    0.1780    0.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5387    0.3589    0.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.5285    0.4709 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514   -0.7605    0.6468 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526   -0.6238    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1939   -0.0603   -0.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5087    0.3812   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    0.0962    0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869    0.6626    0.1330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0265   -0.7169    1.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6785   -1.0440    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8251    1.0768   -0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2119    0.9478   -0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8182   -0.0833    0.6122 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2514   -0.1185    0.6789 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21  6  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (157) 
6c70fd02-4ea9-4cfd-8f71-a7edef85e88a

>  <source_uuid>  (157) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (157) 
0.1019213805560935

>  <SourceMolNum>  (157) 
79

>  <ConformerNum>  (157) 
1

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.1040   -1.7903    4.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7586   -1.8198    3.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7680   -1.5427    4.1854 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6076   -2.1890    2.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5705   -3.8323    1.9131 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0061   -1.0338    1.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6062   -0.8581    1.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0064    0.1780    0.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5387    0.3589    0.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.5285    0.4709 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514   -0.7605    0.6468 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526   -0.6238    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1939   -0.0603   -0.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5087    0.3812   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    0.0962    0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869    0.6626    0.1330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0265   -0.7169    1.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6785   -1.0440    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8251    1.0768   -0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2119    0.9478   -0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8182   -0.0833    0.6122 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2514   -0.1185    0.6789 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21  6  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (158) 
6c70fd02-4ea9-4cfd-8f71-a7edef85e88a

>  <source_uuid>  (158) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (158) 
0.1019213805560935

>  <SourceMolNum>  (158) 
79

>  <ConformerNum>  (158) 
2

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    4.5788   -0.7992   -3.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7797    0.6731   -2.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2952    1.3308   -3.8772 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2997    1.3446   -1.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6251    3.2667   -1.6835 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8708    0.6867   -0.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2782    0.5307   -0.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2376    1.0749   -1.1975 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7638   -0.1745    0.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8938   -0.7050    1.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5225   -0.5287    1.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9962    0.1677    0.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5350    0.3642    0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0660    1.5362    0.4771 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538   -0.7546    0.6491 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -0.6262    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1951   -0.0600   -0.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5112    0.3807   -0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4170    0.0935    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6830    0.6687    0.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0236   -0.7224    1.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6752   -1.0478    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 12  6  1  0
 22 16  1  0
M  END
>  <reactant_uuid>  (159) 
152e4bd6-8c72-4b0b-8643-f1e6620884a6

>  <source_uuid>  (159) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (159) 
0.09881368258107032

>  <SourceMolNum>  (159) 
80

>  <ConformerNum>  (159) 
1

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    4.5788   -0.7992   -3.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7797    0.6731   -2.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2952    1.3308   -3.8772 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2997    1.3446   -1.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6251    3.2667   -1.6835 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8708    0.6867   -0.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2782    0.5307   -0.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2376    1.0749   -1.1975 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7638   -0.1745    0.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8938   -0.7050    1.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5225   -0.5287    1.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9962    0.1677    0.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5350    0.3642    0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0660    1.5362    0.4771 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538   -0.7546    0.6491 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -0.6262    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1951   -0.0600   -0.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5112    0.3807   -0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4170    0.0935    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6830    0.6687    0.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0236   -0.7224    1.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6752   -1.0478    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 12  6  1  0
 22 16  1  0
M  END
>  <reactant_uuid>  (160) 
152e4bd6-8c72-4b0b-8643-f1e6620884a6

>  <source_uuid>  (160) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (160) 
0.09881368258107032

>  <SourceMolNum>  (160) 
80

>  <ConformerNum>  (160) 
2

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.1238   -2.7591    0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9449   -1.8661    0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -0.5516    0.5622 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7668   -0.1676    0.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2588    1.0960    0.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8614    1.2623    0.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0030    0.1685    0.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5373    0.3643    0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0605    1.5338    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7538    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704   -1.0974    0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9556   -1.2159    0.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6956   -2.2672    0.0638 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
  7 18  1  0
 18 19  2  0
 19 20  1  0
 20  2  1  0
 19  4  1  0
 17 11  1  0
M  END
>  <reactant_uuid>  (161) 
0091de72-2d4a-4ada-a7e3-bf6201fd2e4e

>  <source_uuid>  (161) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (161) 
0.09912710088068215

>  <SourceMolNum>  (161) 
81

>  <ConformerNum>  (161) 
1

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.1238   -2.7591    0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9449   -1.8661    0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -0.5516    0.5622 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7668   -0.1676    0.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2588    1.0960    0.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8614    1.2623    0.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0030    0.1685    0.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5373    0.3643    0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0605    1.5338    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7538    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704   -1.0974    0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9556   -1.2159    0.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6956   -2.2672    0.0638 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
  7 18  1  0
 18 19  2  0
 19 20  1  0
 20  2  1  0
 19  4  1  0
 17 11  1  0
M  END
>  <reactant_uuid>  (162) 
0091de72-2d4a-4ada-a7e3-bf6201fd2e4e

>  <source_uuid>  (162) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (162) 
0.09912710088068215

>  <SourceMolNum>  (162) 
81

>  <ConformerNum>  (162) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0662    1.5351    0.4733 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5361    0.3637    0.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540   -0.7558    0.6458 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -0.6255    0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1959   -0.0595   -0.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5120    0.3809   -0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173    0.0935    0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    0.6684    0.1214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0232   -0.7223    1.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6746   -1.0474    1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9961    0.1688    0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5751   -0.5340    1.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8081   -1.0121    2.6287 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9589   -0.7129    1.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7785   -0.1935    0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2200    0.5133   -0.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0425    1.0301   -1.3982 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8297    0.7000   -0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0961    1.6389   -1.9779 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (163) 
6c99fed3-698c-414e-893d-f3c376da658d

>  <source_uuid>  (163) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (163) 
0.09990438413513793

>  <SourceMolNum>  (163) 
82

>  <ConformerNum>  (163) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0662    1.5351    0.4733 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5361    0.3637    0.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540   -0.7558    0.6458 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -0.6255    0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1959   -0.0595   -0.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5120    0.3809   -0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173    0.0935    0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    0.6684    0.1214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0232   -0.7223    1.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6746   -1.0474    1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9961    0.1688    0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5751   -0.5340    1.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8081   -1.0121    2.6287 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9589   -0.7129    1.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7785   -0.1935    0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2200    0.5133   -0.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0425    1.0301   -1.3982 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8297    0.7000   -0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0961    1.6389   -1.9779 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 10  4  1  0
 18 11  1  0
M  END
>  <reactant_uuid>  (164) 
6c99fed3-698c-414e-893d-f3c376da658d

>  <source_uuid>  (164) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (164) 
0.09990438413513793

>  <SourceMolNum>  (164) 
82

>  <ConformerNum>  (164) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.0640    1.5330    0.4736 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5368    0.3624    0.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6531   -0.7570    0.6464 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534   -0.6250    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1960   -0.0593   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5121    0.3811   -0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176    0.0937    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6836    0.6687    0.1211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0238   -0.7222    1.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6754   -1.0472    1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0013    0.1717    0.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5550   -0.6954    1.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.8464    1.6034 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7876   -0.1355    0.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -0.3025    0.8715 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2609    0.7365   -0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4774    1.6323   -1.3869 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8634    0.8995   -0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3262    1.7701   -1.3267 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.4543    1.3562   -2.1184 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7465    3.0771   -1.4107 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 10  4  1  0
 18 11  1  0
M  CHG  2  19   1  21  -1
M  END
>  <reactant_uuid>  (165) 
c6a27a0e-72bc-4560-ae2f-626e47ed046b

>  <source_uuid>  (165) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (165) 
0.1003066553885793

>  <SourceMolNum>  (165) 
83

>  <ConformerNum>  (165) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.0640    1.5330    0.4736 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5368    0.3624    0.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6531   -0.7570    0.6464 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534   -0.6250    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1960   -0.0593   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5121    0.3811   -0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176    0.0937    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6836    0.6687    0.1211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0238   -0.7222    1.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6754   -1.0472    1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0013    0.1717    0.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5550   -0.6954    1.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.8464    1.6034 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7876   -0.1355    0.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -0.3025    0.8715 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2609    0.7365   -0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4774    1.6323   -1.3869 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8634    0.8995   -0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3262    1.7701   -1.3267 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.4543    1.3562   -2.1184 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7465    3.0771   -1.4107 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 10  4  1  0
 18 11  1  0
M  CHG  2  19   1  21  -1
M  END
>  <reactant_uuid>  (166) 
c6a27a0e-72bc-4560-ae2f-626e47ed046b

>  <source_uuid>  (166) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (166) 
0.1003066553885793

>  <SourceMolNum>  (166) 
83

>  <ConformerNum>  (166) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.0618    1.5346    0.4820 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366    0.3643    0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534   -0.7525    0.6559 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6267    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1922   -0.0626   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5070    0.3800   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    0.0957    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6629    0.1319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0268   -0.7173    1.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6792   -1.0451    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0019    0.1667    0.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8260    1.1838    1.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2092    1.0135    1.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8061   -0.1765    0.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2327   -0.3311    0.7495 N   0  0  0  0  0  4  0  0  0  0  0  0
    8.9772    0.6690    0.6844 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7819   -1.5413    1.1041 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.9872   -1.1921    0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -2.7921   -0.6564 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5953   -1.0168    0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8315   -1.9825   -0.5197 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 14 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 10  4  1  0
 20 11  1  0
M  CHG  2  15   1  17  -1
M  END
>  <reactant_uuid>  (167) 
551f7236-c11f-4ea4-9495-4173d815aec8

>  <source_uuid>  (167) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (167) 
0.09767308078396052

>  <SourceMolNum>  (167) 
84

>  <ConformerNum>  (167) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.0618    1.5346    0.4820 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366    0.3643    0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534   -0.7525    0.6559 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6267    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1922   -0.0626   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5070    0.3800   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    0.0957    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6629    0.1319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0268   -0.7173    1.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6792   -1.0451    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0019    0.1667    0.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8260    1.1838    1.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2092    1.0135    1.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8061   -0.1765    0.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2327   -0.3311    0.7495 N   0  0  0  0  0  4  0  0  0  0  0  0
    8.9772    0.6690    0.6844 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7819   -1.5413    1.1041 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.9872   -1.1921    0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -2.7921   -0.6564 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5953   -1.0168    0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8315   -1.9825   -0.5197 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 14 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 10  4  1  0
 20 11  1  0
M  CHG  2  15   1  17  -1
M  END
>  <reactant_uuid>  (168) 
551f7236-c11f-4ea4-9495-4173d815aec8

>  <source_uuid>  (168) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (168) 
0.09767308078396052

>  <SourceMolNum>  (168) 
84

>  <ConformerNum>  (168) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.0621    1.5377    0.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352    0.3675    0.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6547   -0.7525    0.6505 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545   -0.6266    0.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1925   -0.0622   -0.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5074    0.3801   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4159    0.0955    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6856    0.6623    0.1330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0253   -0.7175    1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6772   -1.0452    1.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9976    0.1610    0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8516    0.9996    1.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3324    1.9934    2.2025 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.3370    1.7426    2.9129 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0540    3.1379    2.4529 O   0  0  0  0  0  1  0  0  0  0  0  0
    6.2427    0.8250    1.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7860   -0.1804    0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -1.0255   -0.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7160   -2.3975   -1.4035 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5621   -0.8566   -0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7671   -1.6571   -1.0149 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 12 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 10  4  1  0
 20 11  1  0
M  CHG  2  13   1  15  -1
M  END
>  <reactant_uuid>  (169) 
4301e269-dafd-4e68-8a91-ea6920fd93fb

>  <source_uuid>  (169) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (169) 
0.09930940431553616

>  <SourceMolNum>  (169) 
85

>  <ConformerNum>  (169) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.0621    1.5377    0.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352    0.3675    0.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6547   -0.7525    0.6505 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545   -0.6266    0.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1925   -0.0622   -0.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5074    0.3801   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4159    0.0955    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6856    0.6623    0.1330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0253   -0.7175    1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6772   -1.0452    1.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9976    0.1610    0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8516    0.9996    1.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3324    1.9934    2.2025 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.3370    1.7426    2.9129 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0540    3.1379    2.4529 O   0  0  0  0  0  1  0  0  0  0  0  0
    6.2427    0.8250    1.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7860   -0.1804    0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -1.0255   -0.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7160   -2.3975   -1.4035 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5621   -0.8566   -0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7671   -1.6571   -1.0149 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 12 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 10  4  1  0
 20 11  1  0
M  CHG  2  13   1  15  -1
M  END
>  <reactant_uuid>  (170) 
4301e269-dafd-4e68-8a91-ea6920fd93fb

>  <source_uuid>  (170) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (170) 
0.09930940431553616

>  <SourceMolNum>  (170) 
85

>  <ConformerNum>  (170) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.1726    1.8073    2.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7834    0.8436    1.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1660    0.6288    1.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7694   -0.2908    0.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0142   -1.0086   -0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6765   -1.9965   -1.0467 N   0  0  0  0  0  4  0  0  0  0  0  0
    6.1375   -3.1017   -1.2621 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9933   -1.8209   -1.4056 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.6245   -0.7475   -0.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8268   -1.4093   -1.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9988    0.1588    0.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5341    0.3689    0.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0623    1.5393    0.4760 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6550   -0.7509    0.6486 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2546   -0.6267    0.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1956   -0.0608   -0.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5117    0.3801   -0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4170    0.0931    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    0.6685    0.1214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0230   -0.7227    1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6745   -1.0478    1.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11  2  1  0
 21 15  1  0
M  CHG  2   6   1   8  -1
M  END
>  <reactant_uuid>  (171) 
284be6b9-a6c9-430b-a8b1-3b7f2009f053

>  <source_uuid>  (171) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (171) 
0.09868704423638992

>  <SourceMolNum>  (171) 
86

>  <ConformerNum>  (171) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.1726    1.8073    2.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7834    0.8436    1.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1660    0.6288    1.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7694   -0.2908    0.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0142   -1.0086   -0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6765   -1.9965   -1.0467 N   0  0  0  0  0  4  0  0  0  0  0  0
    6.1375   -3.1017   -1.2621 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9933   -1.8209   -1.4056 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.6245   -0.7475   -0.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8268   -1.4093   -1.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9988    0.1588    0.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5341    0.3689    0.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0623    1.5393    0.4760 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6550   -0.7509    0.6486 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2546   -0.6267    0.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1956   -0.0608   -0.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5117    0.3801   -0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4170    0.0931    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    0.6685    0.1214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0230   -0.7227    1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6745   -1.0478    1.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11  2  1  0
 21 15  1  0
M  CHG  2   6   1   8  -1
M  END
>  <reactant_uuid>  (172) 
284be6b9-a6c9-430b-a8b1-3b7f2009f053

>  <source_uuid>  (172) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (172) 
0.09868704423638992

>  <SourceMolNum>  (172) 
86

>  <ConformerNum>  (172) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.6055   -2.4356   -0.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9962   -1.1840    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047   -0.1792    0.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2299   -0.3298    0.8158 N   0  0  0  0  0  4  0  0  0  0  0  0
    8.7279   -1.4356    1.1105 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0418    0.7813    0.8151 O   0  0  0  0  0  1  0  0  0  0  0  0
    6.2015    1.0018    1.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    1.1752    1.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0019    0.1667    0.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366    0.3643    0.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0618    1.5346    0.4821 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534   -0.7524    0.6559 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6267    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1922   -0.0627   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5070    0.3799   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    0.0957    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6629    0.1319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0268   -0.7173    1.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6792   -1.0451    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5968   -1.0094    0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209   -1.9662   -0.5366 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  3  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9 20  2  0
 20 21  1  0
 20  2  1  0
 19 13  1  0
M  CHG  2   4   1   6  -1
M  END
>  <reactant_uuid>  (173) 
750ca5e7-72f2-42cc-a402-2ba5b1f1a686

>  <source_uuid>  (173) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (173) 
0.09761672517112815

>  <SourceMolNum>  (173) 
87

>  <ConformerNum>  (173) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.6055   -2.4356   -0.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9962   -1.1840    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047   -0.1792    0.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2299   -0.3298    0.8158 N   0  0  0  0  0  4  0  0  0  0  0  0
    8.7279   -1.4356    1.1105 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0418    0.7813    0.8151 O   0  0  0  0  0  1  0  0  0  0  0  0
    6.2015    1.0018    1.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    1.1752    1.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0019    0.1667    0.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366    0.3643    0.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0618    1.5346    0.4821 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534   -0.7524    0.6559 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6267    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1922   -0.0627   -0.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5070    0.3799   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    0.0957    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6629    0.1319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0268   -0.7173    1.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6792   -1.0451    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5968   -1.0094    0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209   -1.9662   -0.5366 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  3  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9 20  2  0
 20 21  1  0
 20  2  1  0
 19 13  1  0
M  CHG  2   4   1   6  -1
M  END
>  <reactant_uuid>  (174) 
750ca5e7-72f2-42cc-a402-2ba5b1f1a686

>  <source_uuid>  (174) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (174) 
0.09761672517112815

>  <SourceMolNum>  (174) 
87

>  <ConformerNum>  (174) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.3822    2.2440    1.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8882    1.0487    1.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2746    0.8102    1.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1535    1.6568    1.7295 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7742   -0.3060    0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081   -1.2083   -0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4327   -2.3594   -0.8571 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.6674   -3.1691   -1.4209 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7889   -2.5895   -0.9018 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.5255   -0.9652   -0.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0017    0.1587    0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5358    0.3691    0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0577    1.5368    0.4744 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6547   -0.7518    0.6511 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545   -0.6262    0.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1925   -0.0620   -0.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5074    0.3801   -0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4160    0.0955    0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857    0.6623    0.1329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0254   -0.7175    1.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6773   -1.0450    1.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11  2  1  0
 21 15  1  0
M  CHG  2   7   1   9  -1
M  END
>  <reactant_uuid>  (175) 
8a5f2c5a-14c0-4885-8fd7-c3e4e03eedd4

>  <source_uuid>  (175) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (175) 
0.0998195877725791

>  <SourceMolNum>  (175) 
88

>  <ConformerNum>  (175) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.3822    2.2440    1.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8882    1.0487    1.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2746    0.8102    1.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1535    1.6568    1.7295 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7742   -0.3060    0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081   -1.2083   -0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4327   -2.3594   -0.8571 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.6674   -3.1691   -1.4209 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7889   -2.5895   -0.9018 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.5255   -0.9652   -0.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0017    0.1587    0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5358    0.3691    0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0577    1.5368    0.4744 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6547   -0.7518    0.6511 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545   -0.6262    0.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1925   -0.0620   -0.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5074    0.3801   -0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4160    0.0955    0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857    0.6623    0.1329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0254   -0.7175    1.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6773   -1.0450    1.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11  2  1  0
 21 15  1  0
M  CHG  2   7   1   9  -1
M  END
>  <reactant_uuid>  (176) 
8a5f2c5a-14c0-4885-8fd7-c3e4e03eedd4

>  <source_uuid>  (176) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (176) 
0.0998195877725791

>  <SourceMolNum>  (176) 
88

>  <ConformerNum>  (176) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.1722    1.1739   -1.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7919    0.5309   -0.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1789    0.2961   -0.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9709    0.6508   -1.5858 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7645   -0.3166    0.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -0.6809    1.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6077   -0.4305    1.6779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590   -0.7562    2.8643 N   0  0  0  0  0  4  0  0  0  0  0  0
    2.9237   -0.0239    3.2486 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -1.7776    3.6851 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.9957    0.1655    0.5427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5342    0.3650    0.4923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0665    1.5369    0.4727 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538   -0.7552    0.6472 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -0.6263    0.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931   -0.0615   -0.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5078    0.3804   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4160    0.0955    0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6620    0.1336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7175    1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766   -1.0450    1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11  2  1  0
 21 15  1  0
M  CHG  2   8   1  10  -1
M  END
>  <reactant_uuid>  (177) 
3f173380-73d2-4980-9611-6630087b1465

>  <source_uuid>  (177) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (177) 
0.099488901386616

>  <SourceMolNum>  (177) 
89

>  <ConformerNum>  (177) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.1722    1.1739   -1.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7919    0.5309   -0.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1789    0.2961   -0.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9709    0.6508   -1.5858 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7645   -0.3166    0.5639 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -0.6809    1.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6077   -0.4305    1.6779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590   -0.7562    2.8643 N   0  0  0  0  0  4  0  0  0  0  0  0
    2.9237   -0.0239    3.2486 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -1.7776    3.6851 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.9957    0.1655    0.5427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5342    0.3650    0.4923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0665    1.5369    0.4727 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538   -0.7552    0.6472 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -0.6263    0.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931   -0.0615   -0.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5078    0.3804   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4160    0.0955    0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6620    0.1336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7175    1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766   -1.0450    1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11  2  1  0
 21 15  1  0
M  CHG  2   8   1  10  -1
M  END
>  <reactant_uuid>  (178) 
3f173380-73d2-4980-9611-6630087b1465

>  <source_uuid>  (178) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (178) 
0.099488901386616

>  <SourceMolNum>  (178) 
89

>  <ConformerNum>  (178) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.2481    1.8313    1.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2797    0.8745    1.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7788   -0.2561    0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9099   -1.1768   -0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4059   -2.2691   -0.7904 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5327   -0.9733   -0.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0008    0.1610    0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    0.3683    0.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0590    1.5368    0.4747 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6550   -0.7525    0.6489 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545   -0.6262    0.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -0.0604   -0.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5115    0.3804   -0.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    0.0934    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6830    0.6687    0.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0234   -0.7223    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -1.0474    1.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8810    1.0961    1.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3594    2.2272    1.8543 N   0  0  0  0  0  4  0  0  0  0  0  0
    4.7335    3.3832    1.5691 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4620    2.0411    2.8803 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
  7 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 18  2  1  0
 17 11  1  0
M  CHG  2  19   1  21  -1
M  END
>  <reactant_uuid>  (179) 
57c24845-2684-4032-85aa-d42fb2cdd9ec

>  <source_uuid>  (179) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (179) 
0.10030078291867485

>  <SourceMolNum>  (179) 
90

>  <ConformerNum>  (179) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.2481    1.8313    1.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2797    0.8745    1.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7788   -0.2561    0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9099   -1.1768   -0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4059   -2.2691   -0.7904 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5327   -0.9733   -0.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0008    0.1610    0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    0.3683    0.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0590    1.5368    0.4747 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6550   -0.7525    0.6489 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545   -0.6262    0.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -0.0604   -0.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5115    0.3804   -0.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    0.0934    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6830    0.6687    0.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0234   -0.7223    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -1.0474    1.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8810    1.0961    1.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3594    2.2272    1.8543 N   0  0  0  0  0  4  0  0  0  0  0  0
    4.7335    3.3832    1.5691 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4620    2.0411    2.8803 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
  7 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 18  2  1  0
 17 11  1  0
M  CHG  2  19   1  21  -1
M  END
>  <reactant_uuid>  (180) 
57c24845-2684-4032-85aa-d42fb2cdd9ec

>  <source_uuid>  (180) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (180) 
0.10030078291867485

>  <SourceMolNum>  (180) 
90

>  <ConformerNum>  (180) 
2

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
   10.6032   -0.1426    1.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1283    0.2506    1.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5010   -0.3188    3.2762 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2869   -0.3131    0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8438   -0.8567   -0.4162 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8097   -0.1826    0.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2343    1.0613    0.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8503    1.2355    0.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    0.1678    0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371    0.3641    0.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0604    1.5337    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6532   -0.7536    0.6561 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6266    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1921   -0.0624   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    0.3801   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4164    0.0959    0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6630    0.1317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0270   -0.7172    1.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6795   -1.0449    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5730   -1.0782    0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9635   -1.2689    0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4868   -2.5802    0.0021 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9 20  1  0
 20 21  2  0
 21 22  1  0
 21  6  1  0
 19 13  1  0
M  END
>  <reactant_uuid>  (181) 
2cf53a7b-a942-43c1-a30c-0d0dfe3468d8

>  <source_uuid>  (181) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (181) 
0.09852816970202469

>  <SourceMolNum>  (181) 
91

>  <ConformerNum>  (181) 
1

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
   10.6032   -0.1426    1.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1283    0.2506    1.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5010   -0.3188    3.2762 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2869   -0.3131    0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8438   -0.8567   -0.4162 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8097   -0.1826    0.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2343    1.0613    0.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8503    1.2355    0.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    0.1678    0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371    0.3641    0.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0604    1.5337    0.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6532   -0.7536    0.6561 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.6266    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1921   -0.0624   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    0.3801   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4164    0.0959    0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858    0.6630    0.1317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0270   -0.7172    1.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6795   -1.0449    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5730   -1.0782    0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9635   -1.2689    0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4868   -2.5802    0.0021 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9 20  1  0
 20 21  2  0
 21 22  1  0
 21  6  1  0
 19 13  1  0
M  END
>  <reactant_uuid>  (182) 
2cf53a7b-a942-43c1-a30c-0d0dfe3468d8

>  <source_uuid>  (182) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (182) 
0.09852816970202469

>  <SourceMolNum>  (182) 
91

>  <ConformerNum>  (182) 
2

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    4.2333    4.6187    2.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0089    3.5668    1.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0791    4.0769    0.2016 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3909    2.1886    2.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4701    1.9698    2.8506 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8859    1.0624    1.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2725    0.8458    1.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7796   -0.2489    0.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9126   -1.1520   -0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4354   -2.2758   -0.9413 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5304   -0.9447   -0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0004    0.1603    0.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5356    0.3687    0.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0590    1.5373    0.4737 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6551   -0.7525    0.6484 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2546   -0.6262    0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1952   -0.0603   -0.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    0.3805   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4170    0.0934    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    0.6686    0.1210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0232   -0.7224    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6748   -1.0475    1.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 12  6  1  0
 22 16  1  0
M  END
>  <reactant_uuid>  (183) 
3b7018fc-2ce3-4c44-9a60-c7924fd56af0

>  <source_uuid>  (183) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (183) 
0.10055473735156038

>  <SourceMolNum>  (183) 
92

>  <ConformerNum>  (183) 
1

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    4.2333    4.6187    2.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0089    3.5668    1.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0791    4.0769    0.2016 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3909    2.1886    2.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4701    1.9698    2.8506 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8859    1.0624    1.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2725    0.8458    1.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7796   -0.2489    0.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9126   -1.1520   -0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4354   -2.2758   -0.9413 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5304   -0.9447   -0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0004    0.1603    0.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5356    0.3687    0.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0590    1.5373    0.4737 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6551   -0.7525    0.6484 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2546   -0.6262    0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1952   -0.0603   -0.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    0.3805   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4170    0.0934    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    0.6686    0.1210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0232   -0.7224    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6748   -1.0475    1.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 12  6  1  0
 22 16  1  0
M  END
>  <reactant_uuid>  (184) 
3b7018fc-2ce3-4c44-9a60-c7924fd56af0

>  <source_uuid>  (184) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (184) 
0.10055473735156038

>  <SourceMolNum>  (184) 
92

>  <ConformerNum>  (184) 
2

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.1999    1.1199   -3.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0165    1.6581   -2.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9754    1.8820   -2.9828 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1074    1.9207   -0.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6836    3.6207   -0.5447 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2272    0.9606   -0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8044   -0.1113    0.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0015   -1.0208    1.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6026   -2.0964    1.9911 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6084   -0.8715    1.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0071    0.1787    0.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388    0.3585    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621    1.5280    0.4714 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6513   -0.7607    0.6476 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.6238    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1937   -0.0602   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5085    0.3813   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    0.0963    0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869    0.6627    0.1328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0267   -0.7168    1.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6788   -1.0440    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270    1.0928   -0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11 22  2  0
 22  6  1  0
 21 15  1  0
M  END
>  <reactant_uuid>  (185) 
e4839cff-3b3b-42e6-ada1-ef047c77d849

>  <source_uuid>  (185) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (185) 
0.10198671560079779

>  <SourceMolNum>  (185) 
93

>  <ConformerNum>  (185) 
1

$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.1999    1.1199   -3.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0165    1.6581   -2.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9754    1.8820   -2.9828 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1074    1.9207   -0.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6836    3.6207   -0.5447 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2272    0.9606   -0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8044   -0.1113    0.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0015   -1.0208    1.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6026   -2.0964    1.9911 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6084   -0.8715    1.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0071    0.1787    0.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388    0.3585    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621    1.5280    0.4714 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6513   -0.7607    0.6476 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2525   -0.6238    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1937   -0.0602   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5085    0.3813   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4171    0.0963    0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6869    0.6627    0.1328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0267   -0.7168    1.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6788   -1.0440    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270    1.0928   -0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11 22  2  0
 22  6  1  0
 21 15  1  0
M  END
>  <reactant_uuid>  (186) 
e4839cff-3b3b-42e6-ada1-ef047c77d849

>  <source_uuid>  (186) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (186) 
0.10198671560079779

>  <SourceMolNum>  (186) 
93

>  <ConformerNum>  (186) 
2

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.0642    1.5291    0.4697 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5387    0.3591    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6522   -0.7603    0.6428 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2528   -0.6234    0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1969   -0.0587   -0.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5130    0.3814   -0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4181    0.0939    0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6841    0.6686    0.1214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0239   -0.7217    1.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6753   -1.0462    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    0.1781    0.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8461    1.0391   -0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2501    0.8816   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8376   -0.1288    0.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903   -0.9523    1.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3356   -1.9487    2.1770 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1262   -2.3665    2.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9161   -3.7925    3.8761 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1113   -1.6874    2.1253 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341   -0.8047    1.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 10  4  1  0
 20 11  1  0
 20 15  2  0
M  END
>  <reactant_uuid>  (187) 
5f1ce43e-a9a3-43df-9cc0-63d4d5f140d3

>  <source_uuid>  (187) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (187) 
0.10256242584254886

>  <SourceMolNum>  (187) 
94

>  <ConformerNum>  (187) 
1

$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.0642    1.5291    0.4697 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5387    0.3591    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6522   -0.7603    0.6428 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2528   -0.6234    0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1969   -0.0587   -0.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5130    0.3814   -0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4181    0.0939    0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6841    0.6686    0.1214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0239   -0.7217    1.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6753   -1.0462    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    0.1781    0.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8461    1.0391   -0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2501    0.8816   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8376   -0.1288    0.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903   -0.9523    1.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3356   -1.9487    2.1770 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1262   -2.3665    2.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9161   -3.7925    3.8761 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1113   -1.6874    2.1253 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341   -0.8047    1.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 10  4  1  0
 20 11  1  0
 20 15  2  0
M  END
>  <reactant_uuid>  (188) 
5f1ce43e-a9a3-43df-9cc0-63d4d5f140d3

>  <source_uuid>  (188) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (188) 
0.10256242584254886

>  <SourceMolNum>  (188) 
94

>  <ConformerNum>  (188) 
2

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.8295   -1.4063   -1.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6208   -0.6927   -0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0075   -0.8894   -0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7817   -0.2290    0.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1862    0.6252    1.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9854    1.2890    2.4585 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7880    0.8102    1.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1565    1.7125    2.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9973    0.1598    0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5338    0.3677    0.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0636    1.5389    0.4780 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6544   -0.7511    0.6519 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545   -0.6270    0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1924   -0.0627   -0.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5072    0.3797   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4158    0.0953    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6855    0.6623    0.1329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0253   -0.7177    1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6773   -1.0454    1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9  2  1  0
 19 13  1  0
M  END
>  <reactant_uuid>  (189) 
66753e07-fad8-4032-8585-5e14338a8a2f

>  <source_uuid>  (189) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (189) 
0.09790486613023586

>  <SourceMolNum>  (189) 
95

>  <ConformerNum>  (189) 
1

$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.8295   -1.4063   -1.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6208   -0.6927   -0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0075   -0.8894   -0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7817   -0.2290    0.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1862    0.6252    1.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9854    1.2890    2.4585 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7880    0.8102    1.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1565    1.7125    2.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9973    0.1598    0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5338    0.3677    0.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0636    1.5389    0.4780 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6544   -0.7511    0.6519 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545   -0.6270    0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1924   -0.0627   -0.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5072    0.3797   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4158    0.0953    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6855    0.6623    0.1329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0253   -0.7177    1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6773   -1.0454    1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  9  2  1  0
 19 13  1  0
M  END
>  <reactant_uuid>  (190) 
66753e07-fad8-4032-8585-5e14338a8a2f

>  <source_uuid>  (190) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (190) 
0.09790486613023586

>  <SourceMolNum>  (190) 
95

>  <ConformerNum>  (190) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.5862    3.1519    2.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0408    1.9382    1.8167 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2050    0.9853    1.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8098    1.1473    1.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0018    0.1664    0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364    0.3650    0.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0623    1.5355    0.4826 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6536   -0.7519    0.6537 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6267    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950   -0.0612   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5111    0.3801   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173    0.0935    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6830    0.6692    0.1199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -0.7223    1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6767   -1.0476    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6041   -0.9801   -0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7993   -1.9273   -0.6848 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2820   -3.1217   -1.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0006   -1.1367    0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7886   -0.1637    0.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1327   -0.3356    0.7410 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  5 16  2  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 20  3  1  0
 15  9  1  0
M  END
>  <reactant_uuid>  (191) 
9c62372c-ab58-4fde-9933-8e31693c0c1d

>  <source_uuid>  (191) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (191) 
0.09789101843516054

>  <SourceMolNum>  (191) 
96

>  <ConformerNum>  (191) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.5862    3.1519    2.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0408    1.9382    1.8167 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2050    0.9853    1.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8098    1.1473    1.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0018    0.1664    0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364    0.3650    0.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0623    1.5355    0.4826 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6536   -0.7519    0.6537 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6267    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950   -0.0612   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5111    0.3801   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173    0.0935    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6830    0.6692    0.1199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -0.7223    1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6767   -1.0476    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6041   -0.9801   -0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7993   -1.9273   -0.6848 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2820   -3.1217   -1.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0006   -1.1367    0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7886   -0.1637    0.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1327   -0.3356    0.7410 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  5 16  2  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 20  3  1  0
 15  9  1  0
M  END
>  <reactant_uuid>  (192) 
9c62372c-ab58-4fde-9933-8e31693c0c1d

>  <source_uuid>  (192) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (192) 
0.09789101843516054

>  <SourceMolNum>  (192) 
96

>  <ConformerNum>  (192) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.9643   -1.0549    1.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1953   -0.2800    0.4867 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7994   -0.1430    0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0159   -0.7710    1.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6154   -0.6079    1.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8217   -1.1796    2.5525 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3165   -1.9852    3.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9984    0.1722    0.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5370    0.3617    0.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0665    1.5327    0.4688 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6528   -0.7587    0.6435 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534   -0.6245    0.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1942   -0.0608   -0.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5089    0.3808   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4166    0.0958    0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6866    0.6620    0.1340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0251   -0.7171    1.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766   -1.0441    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7885    0.8128   -0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1746    0.6519   -0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163    1.2702   -1.3801 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  1  0
 19 20  2  0
 20 21  1  0
 20  3  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (193) 
8fbbe910-b631-47d3-9395-61573276905a

>  <source_uuid>  (193) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (193) 
0.10145832122266188

>  <SourceMolNum>  (193) 
97

>  <ConformerNum>  (193) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.9643   -1.0549    1.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1953   -0.2800    0.4867 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7994   -0.1430    0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0159   -0.7710    1.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6154   -0.6079    1.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8217   -1.1796    2.5525 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3165   -1.9852    3.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9984    0.1722    0.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5370    0.3617    0.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0665    1.5327    0.4688 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6528   -0.7587    0.6435 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534   -0.6245    0.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1942   -0.0608   -0.7905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5089    0.3808   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4166    0.0958    0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6866    0.6620    0.1340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0251   -0.7171    1.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766   -1.0441    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7885    0.8128   -0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1746    0.6519   -0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163    1.2702   -1.3801 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  1  0
 19 20  2  0
 20 21  1  0
 20  3  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (194) 
8fbbe910-b631-47d3-9395-61573276905a

>  <source_uuid>  (194) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (194) 
0.10145832122266188

>  <SourceMolNum>  (194) 
97

>  <ConformerNum>  (194) 
2

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.5162    1.6337    1.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0990    1.7520    1.8932 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    0.8537    1.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7742   -0.2727    0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9356   -1.1629   -0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5606   -0.9517   -0.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7784   -1.8192   -0.8091 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0018    0.1617    0.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    0.3671    0.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0597    1.5363    0.4779 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6541   -0.7518    0.6530 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -0.6265    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1925   -0.0624   -0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5073    0.3800   -0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161    0.0956    0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857    0.6625    0.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0260   -0.7175    1.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6781   -1.0451    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8450    1.0744    1.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2329    2.1610    1.8756 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8813    3.1852    2.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  2  0
 19 20  1  0
 20 21  1  0
 19  3  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (195) 
1f6cc9ef-471e-44ca-bc5e-c4708ed411dd

>  <source_uuid>  (195) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (195) 
0.09848466285237444

>  <SourceMolNum>  (195) 
98

>  <ConformerNum>  (195) 
1

$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.5162    1.6337    1.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0990    1.7520    1.8932 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    0.8537    1.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7742   -0.2727    0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9356   -1.1629   -0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5606   -0.9517   -0.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7784   -1.8192   -0.8091 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0018    0.1617    0.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    0.3671    0.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0597    1.5363    0.4779 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6541   -0.7518    0.6530 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -0.6265    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1925   -0.0624   -0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5073    0.3800   -0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161    0.0956    0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857    0.6625    0.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0260   -0.7175    1.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6781   -1.0451    1.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8450    1.0744    1.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2329    2.1610    1.8756 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8813    3.1852    2.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  8 19  2  0
 19 20  1  0
 20 21  1  0
 19  3  1  0
 18 12  1  0
M  END
>  <reactant_uuid>  (196) 
1f6cc9ef-471e-44ca-bc5e-c4708ed411dd

>  <source_uuid>  (196) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (196) 
0.09848466285237444

>  <SourceMolNum>  (196) 
98

>  <ConformerNum>  (196) 
2

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0605    1.5338    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5373    0.3643    0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0030    0.1685    0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608    1.2618    0.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2577    1.0951    0.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622   -0.1676    0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0047   -0.5660    0.5616 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9588   -1.8471    0.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1730   -2.7039    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5478   -3.4334    1.6906 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6959   -2.3168    0.0525 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9565   -1.2194    0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5706   -1.0974    0.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19 20  1  0
 20 21  2  0
 10  4  1  0
 21 11  1  0
 20 14  1  0
M  END
>  <reactant_uuid>  (197) 
ad46f59c-f66e-4fd9-a871-bd2efc6f7a1d

>  <source_uuid>  (197) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (197) 
0.0991211499751241

>  <SourceMolNum>  (197) 
99

>  <ConformerNum>  (197) 
1

$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0605    1.5338    0.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5373    0.3643    0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.7537    0.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -0.6264    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.0608   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110    0.3804   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.0938    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6831    0.6694    0.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249   -0.7220    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.0473    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0030    0.1685    0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608    1.2618    0.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2577    1.0951    0.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622   -0.1676    0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0047   -0.5660    0.5616 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9588   -1.8471    0.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1730   -2.7039    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5478   -3.4334    1.6906 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6959   -2.3168    0.0525 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9565   -1.2194    0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5706   -1.0974    0.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19 20  1  0
 20 21  2  0
 10  4  1  0
 21 11  1  0
 20 14  1  0
M  END
>  <reactant_uuid>  (198) 
ad46f59c-f66e-4fd9-a871-bd2efc6f7a1d

>  <source_uuid>  (198) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (198) 
0.0991211499751241

>  <SourceMolNum>  (198) 
99

>  <ConformerNum>  (198) 
2

$$$$

     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.0615    1.5275    0.4718 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5393    0.3584    0.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6515   -0.7609    0.6458 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2524   -0.6236    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1965   -0.0586   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5126    0.3816   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4183    0.0942    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842    0.6691    0.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248   -0.7216    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766   -1.0463    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0084    0.1801    0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6142   -0.8950    1.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0062   -1.0299    1.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8131   -0.0929    0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2003   -0.2197    0.5810 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2217    0.9827   -0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8309    1.1223   -0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 10  4  1  0
 17 11  1  0
M  END
>  <reactant_uuid>  (199) 
9750a3fa-97eb-444a-bc34-8ea1560759f4

>  <source_uuid>  (199) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (199) 
0.10259243646429834

>  <SourceMolNum>  (199) 
100

>  <ConformerNum>  (199) 
1

$$$$

     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.0615    1.5275    0.4718 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5393    0.3584    0.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6515   -0.7609    0.6458 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2524   -0.6236    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1965   -0.0586   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5126    0.3816   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4183    0.0942    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6842    0.6691    0.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248   -0.7216    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766   -1.0463    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0084    0.1801    0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6142   -0.8950    1.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0062   -1.0299    1.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8131   -0.0929    0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2003   -0.2197    0.5810 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2217    0.9827   -0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8309    1.1223   -0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 10  4  1  0
 17 11  1  0
M  END
>  <reactant_uuid>  (200) 
9750a3fa-97eb-444a-bc34-8ea1560759f4

>  <source_uuid>  (200) 
33509b1f-56f4-4a43-bc9f-5aea174b9dad

>  <EmbedRMS>  (200) 
0.10259243646429834

>  <SourceMolNum>  (200) 
100

>  <ConformerNum>  (200) 
2

$$$$

gzip: outp.sdf.gz: unexpected end of file
