1-pyrimethamine
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 30 31  0  0  0  0  0  0  0  0999 V2000
   -2.8357    0.2028    0.4209 N   0  0  0  0  0  0
   -2.8255   -1.1104    0.1969 C   0  0  0  0  0  0
   -1.7271   -1.8218   -0.0537 N   0  0  0  0  0  0
   -0.5417   -1.1654   -0.0884 C   0  0  0  0  0  0
   -0.4439    0.2086    0.1358 C   0  0  0  0  0  0
   -1.6550    0.8467    0.4052 C   0  0  0  0  0  0
    0.8362    0.9302    0.0951 C   0  0  0  0  0  0
    1.6327    1.0444    1.2466 C   0  0  0  0  0  0
    2.8536    1.7244    1.2069 C   0  0  0  0  0  0
    3.2885    2.2979    0.0146 C   0  0  0  0  0  0
    2.5126    2.1980   -1.1375 C   0  0  0  0  0  0
    1.2918    1.5178   -1.0966 C   0  0  0  0  0  0
   -4.0141   -1.7715    0.2232 N   0  0  0  0  0  0
   -1.7348    2.2137    0.6034 N   0  0  0  0  0  0
    4.7918    3.1344   -0.0351 Cl  0  0  0  0  0  0
    0.4261   -3.4744   -0.6318 C   0  0  0  0  0  0
    0.6932   -1.9936   -0.3864 C   0  0  0  0  0  0
    1.3065    0.6014    2.1872 H   0  0  0  0  0  0
    3.4548    1.8000    2.1100 H   0  0  0  0  0  0
    2.8462    2.6451   -2.0710 H   0  0  0  0  0  0
    0.6948    1.4500   -2.0056 H   0  0  0  0  0  0
   -4.0348   -2.7663    0.0556 H   0  0  0  0  0  0
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    1.3655   -3.9964   -0.8406 H   0  0  0  0  0  0
   -0.2391   -3.6219   -1.4893 H   0  0  0  0  0  0
   -0.0337   -3.9462    0.2432 H   0  0  0  0  0  0
    1.3880   -1.9081    0.4572 H   0  0  0  0  0  0
    1.1868   -1.5858   -1.2763 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
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  6 14  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  9 10  2  0  0  0
  9 19  1  0  0  0
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 11 20  1  0  0  0
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 16 17  1  0  0  0
 16 26  1  0  0  0
 16 27  1  0  0  0
 16 28  1  0  0  0
 17 29  1  0  0  0
 17 30  1  0  0  0
M  END
>  <Name>
1-pyrimethamine

>  <Family>
A

>  <PC_uM>
3.7

>  <TG_uM>
0.39

>  <RL_uM>
2.3

>  <set>
1

$$$$
1-3062
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 30 31  0  0  0  0  0  0  0  0999 V2000
   -2.8168    0.2065    0.4735 N   0  0  0  0  0  0
   -2.8206   -1.1045    0.2371 C   0  0  0  0  0  0
   -1.7327   -1.8208   -0.0438 N   0  0  0  0  0  0
   -0.5439   -1.1720   -0.0988 C   0  0  0  0  0  0
   -0.4317    0.1989    0.1374 C   0  0  0  0  0  0
   -1.6324    0.8424    0.4390 C   0  0  0  0  0  0
    0.8521    0.9130    0.0752 C   0  0  0  0  0  0
    1.6858    0.9917    1.2029 C   0  0  0  0  0  0
    2.9119    1.6650    1.1430 C   0  0  0  0  0  0
    3.3184    2.2713   -0.0498 C   0  0  0  0  0  0
    2.4965    2.2018   -1.1763 C   0  0  0  0  0  0
    1.2730    1.5284   -1.1135 C   0  0  0  0  0  0
   -4.0128   -1.7579    0.2830 N   0  0  0  0  0  0
   -1.6980    2.2076    0.6534 N   0  0  0  0  0  0
    4.8189    3.1175   -0.1945 Cl  0  0  0  0  0  0
    0.3929   -3.4780   -0.7058 C   0  0  0  0  0  0
    0.6782   -2.0057   -0.4320 C   0  0  0  0  0  0
    3.8777    1.7088    2.5773 Cl  0  0  0  0  0  0
    1.3763    0.5224    2.1357 H   0  0  0  0  0  0
    2.7982    2.6697   -2.1110 H   0  0  0  0  0  0
    0.6467    1.4886   -2.0046 H   0  0  0  0  0  0
   -4.0437   -2.7510    0.1067 H   0  0  0  0  0  0
   -4.8568   -1.2458    0.4914 H   0  0  0  0  0  0
   -0.9218    2.6660    1.1184 H   0  0  0  0  0  0
   -2.6181    2.5747    0.8742 H   0  0  0  0  0  0
    1.3238   -4.0040   -0.9412 H   0  0  0  0  0  0
   -0.2872   -3.5999   -1.5556 H   0  0  0  0  0  0
   -0.0575   -3.9650    0.1657 H   0  0  0  0  0  0
    1.3854   -1.9447    0.4035 H   0  0  0  0  0  0
    1.1636   -1.5839   -1.3199 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 14  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
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  8 19  1  0  0  0
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  9 18  1  0  0  0
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 11 12  2  0  0  0
 11 20  1  0  0  0
 12 21  1  0  0  0
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 13 23  1  0  0  0
 14 24  1  0  0  0
 14 25  1  0  0  0
 16 17  1  0  0  0
 16 26  1  0  0  0
 16 27  1  0  0  0
 16 28  1  0  0  0
 17 29  1  0  0  0
 17 30  1  0  0  0
M  END
>  <Name>
1-3062

>  <Family>
A

>  <PC_uM>
1.08

>  <TG_uM>
0.094

>  <RL_uM>
0.19

>  <set>
0

$$$$
1-7364
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 27 28  0  0  0  0  0  0  0  0999 V2000
   -2.7897   -0.3579    0.5077 N   0  0  0  0  0  0
   -2.8038   -1.6260    0.0973 C   0  0  0  0  0  0
   -1.7302   -2.2898   -0.3303 N   0  0  0  0  0  0
   -0.5505   -1.6232   -0.3512 C   0  0  0  0  0  0
   -0.4246   -0.2980    0.0588 C   0  0  0  0  0  0
   -1.6095    0.2884    0.5017 C   0  0  0  0  0  0
    0.8560    0.4222    0.0267 C   0  0  0  0  0  0
    1.7528    0.3416    1.1048 C   0  0  0  0  0  0
    2.9770    1.0201    1.0719 C   0  0  0  0  0  0
    3.3185    1.7913   -0.0436 C   0  0  0  0  0  0
    2.4338    1.8805   -1.1200 C   0  0  0  0  0  0
    1.2124    1.2015   -1.0843 C   0  0  0  0  0  0
   -3.9916   -2.2886    0.1130 N   0  0  0  0  0  0
   -1.6671    1.6118    0.9004 N   0  0  0  0  0  0
    4.8129    2.6537   -0.1514 Cl  0  0  0  0  0  0
    0.6285   -2.4088   -0.8541 C   0  0  0  0  0  0
    4.0227    0.8619    2.4406 Cl  0  0  0  0  0  0
    1.4941   -0.2567    1.9774 H   0  0  0  0  0  0
    2.6846    2.4775   -1.9943 H   0  0  0  0  0  0
    0.5366    1.2869   -1.9351 H   0  0  0  0  0  0
   -4.0319   -3.2493   -0.1933 H   0  0  0  0  0  0
   -4.8246   -1.8151    0.4297 H   0  0  0  0  0  0
   -0.8692    2.0105    1.3833 H   0  0  0  0  0  0
   -2.5755    1.9387    1.2133 H   0  0  0  0  0  0
    1.3884   -2.5051   -0.0727 H   0  0  0  0  0  0
    1.0654   -1.9276   -1.7346 H   0  0  0  0  0  0
    0.3231   -3.4194   -1.1462 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 14  1  0  0  0
  7  8  2  0  0  0
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  8  9  1  0  0  0
  8 18  1  0  0  0
  9 10  2  0  0  0
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 11 19  1  0  0  0
 12 20  1  0  0  0
 13 21  1  0  0  0
 13 22  1  0  0  0
 14 23  1  0  0  0
 14 24  1  0  0  0
 16 25  1  0  0  0
 16 26  1  0  0  0
 16 27  1  0  0  0
M  END
>  <Name>
1-7364

>  <Family>
A

>  <PC_uM>
1.68

>  <TG_uM>
3.7

>  <RL_uM>
0.32

>  <set>
1

$$$$
1-115194
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 34 35  0  0  0  0  0  0  0  0999 V2000
   -2.8219    1.2481    0.3730 N   0  0  0  0  0  0
   -2.8031   -0.0796    0.2653 C   0  0  0  0  0  0
   -1.6963   -0.8044    0.1166 N   0  0  0  0  0  0
   -0.5088   -0.1451    0.0663 C   0  0  0  0  0  0
   -0.4221    1.2434    0.1730 C   0  0  0  0  0  0
   -1.6433    1.8950    0.3426 C   0  0  0  0  0  0
    0.8570    1.9657    0.1122 C   0  0  0  0  0  0
    1.6036    2.2045    1.2779 C   0  0  0  0  0  0
    2.8253    2.8861    1.2204 C   0  0  0  0  0  0
    3.3156    3.3387   -0.0086 C   0  0  0  0  0  0
    2.5810    3.1082   -1.1734 C   0  0  0  0  0  0
    1.3612    2.4280   -1.1128 C   0  0  0  0  0  0
   -3.9914   -0.7400    0.3078 N   0  0  0  0  0  0
   -1.7332    3.2733    0.4165 N   0  0  0  0  0  0
    4.8159    4.1852   -0.1528 Cl  0  0  0  0  0  0
    3.6803    3.1336    2.7035 Cl  0  0  0  0  0  0
    0.7490   -0.9816   -0.1165 C   0  0  0  0  0  0
    0.4478   -2.3854   -0.2155 O   0  0  0  0  0  0
    1.2558   -4.6175   -0.4815 C   0  0  0  0  0  0
    1.6414   -3.1554   -0.3803 C   0  0  0  0  0  0
    1.2285    1.8568    2.2397 H   0  0  0  0  0  0
    2.9483    3.4559   -2.1367 H   0  0  0  0  0  0
    0.8035    2.2640   -2.0348 H   0  0  0  0  0  0
   -4.0063   -1.7457    0.2265 H   0  0  0  0  0  0
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    1.4085   -0.8287    0.7453 H   0  0  0  0  0  0
    1.2553   -0.6711   -1.0375 H   0  0  0  0  0  0
    2.1412   -5.2470   -0.6067 H   0  0  0  0  0  0
    0.5830   -4.7808   -1.3299 H   0  0  0  0  0  0
    0.7183   -4.9377    0.4172 H   0  0  0  0  0  0
    2.3012   -3.0026    0.4807 H   0  0  0  0  0  0
    2.1600   -2.8425   -1.2932 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 14  1  0  0  0
  7  8  2  0  0  0
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  8  9  1  0  0  0
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 11 12  2  0  0  0
 11 22  1  0  0  0
 12 23  1  0  0  0
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 17 18  1  0  0  0
 17 28  1  0  0  0
 17 29  1  0  0  0
 18 20  1  0  0  0
 19 20  1  0  0  0
 19 30  1  0  0  0
 19 31  1  0  0  0
 19 32  1  0  0  0
 20 33  1  0  0  0
 20 34  1  0  0  0
M  END
>  <Name>
1-115194

>  <Family>
A

>  <PC_uM>
12.7

>  <TG_uM>
0.08

>  <RL_uM>
0.093

>  <set>
1

$$$$
1-118203
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
   -3.0859    1.5420    1.8148 N   0  0  0  0  0  0
   -3.0422    0.2476    1.5018 C   0  0  0  0  0  0
   -1.9487   -0.3865    1.0827 N   0  0  0  0  0  0
   -0.8032    0.3352    0.9690 C   0  0  0  0  0  0
   -0.7461    1.6973    1.2682 C   0  0  0  0  0  0
   -1.9470    2.2501    1.7112 C   0  0  0  0  0  0
    0.4884    2.4840    1.1352 C   0  0  0  0  0  0
    1.2990    2.7369    2.2541 C   0  0  0  0  0  0
    2.4831    3.4690    2.1284 C   0  0  0  0  0  0
    2.8682    3.9532    0.8809 C   0  0  0  0  0  0
    2.0795    3.7123   -0.2409 C   0  0  0  0  0  0
    0.8935    2.9830   -0.1135 C   0  0  0  0  0  0
   -4.1871   -0.4766    1.6170 N   0  0  0  0  0  0
   -2.0684    3.5974    2.0022 N   0  0  0  0  0  0
    4.3289    4.8498    0.7247 Cl  0  0  0  0  0  0
    0.4437   -0.3947    0.4888 C   0  0  0  0  0  0
    0.1967   -1.8011    0.3372 O   0  0  0  0  0  0
    1.2523   -2.5723   -0.0677 C   0  0  0  0  0  0
    0.9736   -3.9402   -0.1572 C   0  0  0  0  0  0
    1.9590   -4.8480   -0.5574 C   0  0  0  0  0  0
    3.2378   -4.3786   -0.8726 C   0  0  0  0  0  0
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    2.5324   -2.1107   -0.3857 C   0  0  0  0  0  0
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    1.0137    2.3616    3.2369 H   0  0  0  0  0  0
    3.0958    3.6516    3.0082 H   0  0  0  0  0  0
    2.3776    4.0832   -1.2187 H   0  0  0  0  0  0
    0.2867    2.8057   -1.0009 H   0  0  0  0  0  0
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    1.2357   -0.2524    1.2337 H   0  0  0  0  0  0
    0.7336    0.0249   -0.4811 H   0  0  0  0  0  0
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    1.7099   -5.9049   -0.6182 H   0  0  0  0  0  0
    4.5164   -2.6262   -1.0326 H   0  0  0  0  0  0
    2.7987   -1.0581   -0.3340 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
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  5  6  2  0  0  0
  5  7  1  0  0  0
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M  CHG  2  24   1  26  -1
M  END
>  <Name>
1-118203

>  <Family>
A

>  <PC_uM>
85.1

>  <TG_uM>
1.37

>  <RL_uM>
42.5

>  <set>
2

$$$$
1-125357
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
   -2.7222    2.5877    0.3440 N   0  0  0  0  0  0
   -2.6442    1.2986    0.6661 C   0  0  0  0  0  0
   -1.5101    0.6062    0.7179 N   0  0  0  0  0  0
   -0.3602    1.2576    0.4211 C   0  0  0  0  0  0
   -0.3262    2.6083    0.0766 C   0  0  0  0  0  0
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M  END
>  <Name>
1-125357

>  <Family>
A

>  <PC_uM>
0.5

>  <TG_uM>
0.056

>  <RL_uM>
0.088

>  <set>
1

$$$$
1-125358
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-125358

>  <Family>
A

>  <PC_uM>
13.5

>  <TG_uM>
0.11

>  <RL_uM>
1.28

>  <set>
1

$$$$
1-125359
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-125359

>  <Family>
A

>  <PC_uM>
3.9

>  <TG_uM>
0.054

>  <RL_uM>
0.113

>  <set>
0

$$$$
1-125850
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-125850

>  <Family>
A

>  <PC_uM>
12.8

>  <TG_uM>
0.86

>  <RL_uM>
2.06

>  <set>
2

$$$$
1-211797
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 28 29  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
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  2 13  1  0  0  0
  3  4  2  0  0  0
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M  END
>  <Name>
1-211797

>  <Family>
A

>  <PC_uM>
490

>  <TG_uM>
>100

>  <RL_uM>
188

>  <set>
1

$$$$
1-211804
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-211804

>  <Family>
A

>  <PC_uM>
>42

>  <TG_uM>
>42

>  <RL_uM>
>42

>  <set>
2

$$$$
1-212329
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
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   -3.0628    0.1100    1.4767 C   0  0  0  0  0  0
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M  CHG  2  24   1  26  -1
M  END
>  <Name>
1-212329

>  <Family>
A

>  <PC_uM>
17.000000

>  <TG_uM>
1.490000

>  <RL_uM>
1.060000

>  <set>
1

$$$$
1-302325
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 32 33  0  0  0  0  0  0  0  0999 V2000
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   -3.1890   -1.0708    0.4416 C   0  0  0  0  0  0
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M  CHG  2  16   1  18  -1
M  END
>  <Name>
1-302325

>  <Family>
A

>  <PC_uM>
0.850000

>  <TG_uM>
0.013000

>  <RL_uM>
0.015000

>  <set>
1

$$$$
1-319947
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 32 33  0  0  0  0  0  0  0  0999 V2000
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  9 10  2  0  0  0
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 17 32  1  0  0  0
 18 19  2  0  0  0
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M  CHG  2  19   1  20  -1
M  END
>  <Name>
1-319947

>  <Family>
A

>  <PC_uM>
1.330000

>  <TG_uM>
0.690000

>  <RL_uM>
0.330000

>  <set>
2

$$$$
1-319949
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 47 49  0  0  0  0  0  0  0  0999 V2000
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   -4.2213   -2.7456   -0.6454 C   0  0  0  0  0  0
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M  CHG  2  18   1  20  -1
M  END
>  <Name>
1-319949

>  <Family>
A

>  <PC_uM>
5.050000

>  <TG_uM>
0.430000

>  <RL_uM>
0.900000

>  <set>
1

$$$$
1-330463
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  CHG  1  18   1
M  END
>  <Name>
1-330463

>  <Family>
A

>  <PC_uM>
0.190000

>  <TG_uM>
0.023000

>  <RL_uM>
0.032000

>  <set>
1

$$$$
1-330465
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-330465

>  <Family>
A

>  <PC_uM>
2.800000

>  <TG_uM>
0.310000

>  <RL_uM>
18.900000

>  <set>
0

$$$$
1-372950
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 41 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-372950

>  <Family>
A

>  <PC_uM>
10.600000

>  <TG_uM>
1.600000

>  <RL_uM>
3.500000

>  <set>
1

$$$$
1-372955
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-372955

>  <Family>
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$$$$
1-382035
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M  CHG  2  26   1  28  -1
M  END
>  <Name>
1-382035

>  <Family>
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>  <PC_uM>
1.600000

>  <TG_uM>
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>  <RL_uM>
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>  <set>
1

$$$$
1-382036
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M  END
>  <Name>
1-382036

>  <Family>
A

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3.600000

>  <TG_uM>
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2

$$$$
1-382042
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M  CHG  2  25   1  27  -1
M  END
>  <Name>
1-382042

>  <Family>
A

>  <PC_uM>
5.700000

>  <TG_uM>
0.170000

>  <RL_uM>
0.079000

>  <set>
0

$$$$
1-382046
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  CHG  2  18   1  20  -1
M  END
>  <Name>
1-382046

>  <Family>
A

>  <PC_uM>
1.030000

>  <TG_uM>
0.019000

>  <RL_uM>
0.025000

>  <set>
2

$$$$
1-400654
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-400654

>  <Family>
A

>  <PC_uM>
1.400000

>  <TG_uM>
N/A

>  <RL_uM>
0.280000

>  <set>
1

$$$$
2-4
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
2-4

>  <Family>
A

>  <PC_uM>
0.170000

>  <TG_uM>
0.690000

>  <RL_uM>
19.400000

>  <set>
1

$$$$
2-11a
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
2-11a

>  <Family>
A

>  <PC_uM>
5.180000

>  <TG_uM>
0.520000

>  <RL_uM>
1.380000

>  <set>
0

$$$$
2-11c
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 46 49  0  0  0  0  0  0  0  0999 V2000
   -4.1499    0.9949   -1.9209 N   0  0  0  0  0  0
   -4.7606    0.1613   -1.0803 C   0  0  0  0  0  0
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   -2.4352    1.3176   -0.2599 C   0  0  0  0  0  0
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   -1.1826    1.9535    0.1771 C   0  0  0  0  0  0
    0.0479    1.2799    0.0578 C   0  0  0  0  0  0
    1.2675    1.8625    0.4741 C   0  0  0  0  0  0
    1.2312    3.1596    1.0193 C   0  0  0  0  0  0
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M  END
>  <Name>
2-11c

>  <Family>
A

>  <PC_uM>
3.530000

>  <TG_uM>
0.370000

>  <RL_uM>
0.150000

>  <set>
0

$$$$
2-11g
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 36 38  0  0  0  0  0  0  0  0999 V2000
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   -4.1192   -1.1100   -0.1716 C   0  0  0  0  0  0
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   -2.7104    0.6857   -0.3563 C   0  0  0  0  0  0
   -0.4287    0.6843    0.6950 C   0  0  0  0  0  0
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M  END
>  <Name>
2-11g

>  <Family>
A

>  <PC_uM>
24.800000

>  <TG_uM>
0.280000

>  <RL_uM>
0.380000

>  <set>
1

$$$$
2-21c
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 52 55  0  0  0  0  0  0  0  0999 V2000
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 29 52  1  0  0  0
M  CHG  1  18   1
M  END
>  <Name>
2-21c

>  <Family>
A

>  <PC_uM>
13.500000

>  <TG_uM>
1.380000

>  <RL_uM>
3.300000

>  <set>
2

$$$$
2-23a
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
   -4.7375   -0.8084    1.1731 N   0  0  0  0  0  0
   -5.1238   -1.7820    0.3504 C   0  0  0  0  0  0
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M  END
>  <Name>
2-23a

>  <Family>
A

>  <PC_uM>
10.800000

>  <TG_uM>
0.510000

>  <RL_uM>
4.100000

>  <set>
2

$$$$
2-23b
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 Structure written by MMmdl.
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M  END
>  <Name>
2-23b

>  <Family>
A

>  <PC_uM>
1.300000

>  <TG_uM>
0.080000

>  <RL_uM>
0.990000

>  <set>
1

$$$$
2-24a
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
2-24a

>  <Family>
A

>  <PC_uM>
0.120000

>  <TG_uM>
0.070000

>  <RL_uM>
0.630000

>  <set>
1

$$$$
2-24b
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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 31 32  1  0  0  0
 32 58  1  0  0  0
 32 59  1  0  0  0
 32 60  1  0  0  0
M  END
>  <Name>
2-24b

>  <Family>
A

>  <PC_uM>
1.070000

>  <TG_uM>
0.020000

>  <RL_uM>
0.090000

>  <set>
2

$$$$
3-5-benzoprim
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 47 49  0  0  0  0  0  0  0  0999 V2000
   -5.5220   -0.6868   -0.6191 N   0  0  0  0  0  0
   -5.7211   -1.8457    0.0067 C   0  0  0  0  0  0
   -4.7595   -2.5556    0.5952 N   0  0  0  0  0  0
   -3.4959   -2.0617    0.5562 C   0  0  0  0  0  0
   -3.1800   -0.8576   -0.0717 C   0  0  0  0  0  0
   -4.2643   -0.2115   -0.6680 C   0  0  0  0  0  0
   -1.8183   -0.3059   -0.1133 C   0  0  0  0  0  0
   -0.9048   -0.7062   -1.0931 C   0  0  0  0  0  0
    0.3983   -0.1650   -1.1186 C   0  0  0  0  0  0
    0.8533    0.7869   -0.1906 C   0  0  0  0  0  0
   -0.0949    1.1707    0.7788 C   0  0  0  0  0  0
   -1.3959    0.6445    0.8204 C   0  0  0  0  0  0
   -6.9882   -2.3381    0.0517 N   0  0  0  0  0  0
   -4.1315    1.0139   -1.2962 N   0  0  0  0  0  0
    2.0888    1.3974   -0.1012 N   0  0  0  0  0  0
   -2.3476   -2.5228    2.7459 C   0  0  0  0  0  0
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  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 14  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
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 25 26  2  0  0  0
 25 27  1  0  0  0
M  CHG  2  25   1  27  -1
M  END
>  <Name>
3-5-benzoprim

>  <Family>
A

>  <PC_uM>
1.030000

>  <TG_uM>
0.019000

>  <RL_uM>
0.025000

>  <set>
0

$$$$
3-6-MBP
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 50 52  0  0  0  0  0  0  0  0999 V2000
   -5.4082   -1.1458   -0.3352 N   0  0  0  0  0  0
   -5.3442   -2.4569   -0.1069 C   0  0  0  0  0  0
   -4.2140   -3.1247    0.1198 N   0  0  0  0  0  0
   -3.0538   -2.4204    0.1227 C   0  0  0  0  0  0
   -3.0103   -1.0456   -0.1049 C   0  0  0  0  0  0
   -4.2523   -0.4573   -0.3484 C   0  0  0  0  0  0
   -1.7623   -0.2688   -0.1000 C   0  0  0  0  0  0
   -1.0189   -0.0931   -1.2742 C   0  0  0  0  0  0
    0.1610    0.6663   -1.2425 C   0  0  0  0  0  0
    0.6557    1.2624   -0.0710 C   0  0  0  0  0  0
   -0.1029    1.0746    1.0941 C   0  0  0  0  0  0
   -1.2914    0.3288    1.0794 C   0  0  0  0  0  0
   -6.5077   -3.1615   -0.0994 N   0  0  0  0  0  0
   -4.3908    0.9051   -0.5478 N   0  0  0  0  0  0
    1.8353    2.0223   -0.0469 N   0  0  0  0  0  0
   -1.5571   -3.3554    1.9148 C   0  0  0  0  0  0
   -1.8179   -3.2373    0.4201 C   0  0  0  0  0  0
    2.9113    1.4792    0.8043 C   0  0  0  0  0  0
    4.2722    1.9667    0.3513 C   0  0  0  0  0  0
    5.0526    2.7839    1.1835 C   0  0  0  0  0  0
    6.3086    3.2275    0.7648 C   0  0  0  0  0  0
    6.7985    2.8592   -0.4869 C   0  0  0  0  0  0
    6.0352    2.0457   -1.3216 C   0  0  0  0  0  0
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    0.6146    1.8127   -3.1885 O   0  5  0  0  0  0
    1.6027    3.4699    0.0250 C   0  0  0  0  0  0
   -1.3551   -0.5388   -2.2089 H   0  0  0  0  0  0
    0.2170    1.5192    2.0357 H   0  0  0  0  0  0
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   -1.3943   -2.3762    2.3749 H   0  0  0  0  0  0
   -0.9383   -2.8286   -0.0880 H   0  0  0  0  0  0
   -1.9572   -4.2429    0.0041 H   0  0  0  0  0  0
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    4.6859    3.0818    2.1653 H   0  0  0  0  0  0
    6.9061    3.8607    1.4177 H   0  0  0  0  0  0
    7.7773    3.2069   -0.8126 H   0  0  0  0  0  0
    6.4168    1.7571   -2.2991 H   0  0  0  0  0  0
    4.1912    0.9652   -1.5662 H   0  0  0  0  0  0
    2.5233    4.0234   -0.1837 H   0  0  0  0  0  0
    1.2455    3.7632    1.0187 H   0  0  0  0  0  0
    0.8644    3.7865   -0.7207 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 14  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
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 10 15  1  0  0  0
 11 12  2  0  0  0
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 14 35  1  0  0  0
 15 18  1  0  0  0
 15 28  1  0  0  0
 16 17  1  0  0  0
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 16 37  1  0  0  0
 16 38  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 21 22  2  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
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 23 24  2  0  0  0
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 25 26  2  0  0  0
 25 27  1  0  0  0
 28 48  1  0  0  0
 28 49  1  0  0  0
 28 50  1  0  0  0
M  CHG  2  25   1  27  -1
M  END
>  <Name>
3-6-MBP

>  <Family>
A

>  <PC_uM>
1.600000

>  <TG_uM>
0.091000

>  <RL_uM>
0.003200

>  <set>
0

$$$$
3-8
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 32 33  0  0  0  0  0  0  0  0999 V2000
   -3.0765    0.1894    0.7507 N   0  0  0  0  0  0
   -3.1774   -1.0994    0.4291 C   0  0  0  0  0  0
   -2.1740   -1.8358   -0.0470 N   0  0  0  0  0  0
   -0.9726   -1.2330   -0.2210 C   0  0  0  0  0  0
   -0.7619    0.1115    0.0882 C   0  0  0  0  0  0
   -1.8777    0.7785    0.5952 C   0  0  0  0  0  0
    0.5345    0.7781   -0.1056 C   0  0  0  0  0  0
    1.5021    0.7798    0.9100 C   0  0  0  0  0  0
    2.7304    1.4218    0.6963 C   0  0  0  0  0  0
    3.0301    2.0603   -0.5054 C   0  0  0  0  0  0
    2.0670    2.0606   -1.5155 C   0  0  0  0  0  0
    0.8323    1.4283   -1.3163 C   0  0  0  0  0  0
   -4.3834   -1.7062    0.5946 N   0  0  0  0  0  0
   -1.8467    2.1262    0.9060 N   0  0  0  0  0  0
    4.5410    2.8338   -0.8225 Cl  0  0  0  0  0  0
   -0.2335   -3.5330   -1.0743 C   0  0  0  0  0  0
    0.1500   -2.0878   -0.7766 C   0  0  0  0  0  0
    3.6950    1.4011    1.7685 N   0  3  0  0  0  0
    3.8667    2.4514    2.4122 O   0  0  0  0  0  0
    4.2739    0.3241    1.9978 O   0  5  0  0  0  0
    1.3016    0.2879    1.8605 H   0  0  0  0  0  0
    2.2640    2.5488   -2.4680 H   0  0  0  0  0  0
    0.0980    1.4466   -2.1221 H   0  0  0  0  0  0
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  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 14  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  9 10  2  0  0  0
  9 18  1  0  0  0
 10 11  1  0  0  0
 10 15  1  0  0  0
 11 12  2  0  0  0
 11 22  1  0  0  0
 12 23  1  0  0  0
 13 24  1  0  0  0
 13 25  1  0  0  0
 14 26  1  0  0  0
 14 27  1  0  0  0
 16 17  1  0  0  0
 16 28  1  0  0  0
 16 29  1  0  0  0
 16 30  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
M  CHG  2  18   1  20  -1
M  END
>  <Name>
3-8

>  <Family>
A

>  <PC_uM>
0.850000

>  <TG_uM>
0.013000

>  <RL_uM>
0.015000

>  <set>
0

$$$$
3-9
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 50 52  0  0  0  0  0  0  0  0999 V2000
   -6.5233   -0.3049    0.9380 N   0  0  0  0  0  0
   -6.8242   -1.4273    0.2871 C   0  0  0  0  0  0
   -5.9398   -2.1718   -0.3758 N   0  0  0  0  0  0
   -4.6500   -1.7560   -0.3962 C   0  0  0  0  0  0
   -4.2305   -0.5966    0.2579 C   0  0  0  0  0  0
   -5.2385    0.0925    0.9338 C   0  0  0  0  0  0
   -2.8354   -0.1340    0.2411 C   0  0  0  0  0  0
   -1.8934   -0.6418    1.1407 C   0  0  0  0  0  0
   -0.5591   -0.1841    1.1109 C   0  0  0  0  0  0
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M  CHG  2  25   1  27  -1
M  END
>  <Name>
3-9

>  <Family>
A

>  <PC_uM>
0.270000

>  <TG_uM>
0.001800

>  <RL_uM>
0.002900

>  <set>
1

$$$$
3-10
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  CHG  2  25   1  27  -1
M  END
>  <Name>
3-10

>  <Family>
A

>  <PC_uM>
0.270000

>  <TG_uM>
0.003100

>  <RL_uM>
0.003800

>  <set>
0

$$$$
3-14
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 57 59  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  25   1  27  -1
M  END
>  <Name>
3-14

>  <Family>
A

>  <PC_uM>
0.460000

>  <TG_uM>
0.007400

>  <RL_uM>
0.006800

>  <set>
0

$$$$
3-17
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 64 67  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  25   1  27  -1
M  END
>  <Name>
3-17

>  <Family>
A

>  <PC_uM>
0.950000

>  <TG_uM>
0.014000

>  <RL_uM>
0.015000

>  <set>
2

$$$$
3-22
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  CHG  2  25   1  27  -1
M  END
>  <Name>
3-22

>  <Family>
A

>  <PC_uM>
0.930000

>  <TG_uM>
0.015000

>  <RL_uM>
0.016000

>  <set>
1

$$$$
3-25
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  CHG  2  25   1  27  -1
M  END
>  <Name>
3-25

>  <Family>
A

>  <PC_uM>
0.530000

>  <TG_uM>
0.003700

>  <RL_uM>
0.007500

>  <set>
0

$$$$
3-26
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 Structure written by MMmdl.
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M  CHG  2  25   1  27  -1
M  END
>  <Name>
3-26

>  <Family>
A

>  <PC_uM>
0.580000

>  <TG_uM>
0.004300

>  <RL_uM>
0.006000

>  <set>
0

$$$$
3-28
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 64 67  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  25   1  27  -1
M  END
>  <Name>
3-28

>  <Family>
A

>  <PC_uM>
2.200000

>  <TG_uM>
0.140000

>  <RL_uM>
0.270000

>  <set>
2

$$$$
3-27
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 57 59  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  25   1  27  -1
M  END
>  <Name>
3-27

>  <Family>
A

>  <PC_uM>
1.300000

>  <TG_uM>
0.007900

>  <RL_uM>
0.008900

>  <set>
0

$$$$
4-4a
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 40 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
4-4a

>  <Family>
A

>  <PC_uM>
2.800000

>  <TG_uM>
0.310000

>  <RL_uM>
18.900000

>  <set>
0

$$$$
4-4b
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 41 42  0  0  0  0  0  0  0  0999 V2000
   -4.3282   -0.0848   -1.3082 N   0  0  0  0  0  0
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M  END
>  <Name>
4-4b

>  <Family>
A

>  <PC_uM>
10.600000

>  <TG_uM>
N/A

>  <RL_uM>
3.500000

>  <set>
0

$$$$
4-4c
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 37 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
4-4c

>  <Family>
A

>  <PC_uM>
4.600000

>  <TG_uM>
N/A

>  <RL_uM>
2.300000

>  <set>
1

$$$$
4-10a
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 43 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
4-10a

>  <Family>
A

>  <PC_uM>
14.100000

>  <TG_uM>
N/A

>  <RL_uM>
202.000000

>  <set>
1

$$$$
4-10b
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 46 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
4-10b

>  <Family>
A

>  <PC_uM>
10.200000

>  <TG_uM>
N/A

>  <RL_uM>
>4

>  <set>
0

$$$$
4-10c
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
4-10c

>  <Family>
A

>  <PC_uM>
2.800000

>  <TG_uM>
N/A

>  <RL_uM>
1.800000

>  <set>
0

$$$$
4-10d
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
4-10d

>  <Family>
A

>  <PC_uM>
18.200000

>  <TG_uM>
N/A

>  <RL_uM>
17.300000

>  <set>
1

$$$$
4-10e
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
4-10e

>  <Family>
A

>  <PC_uM>
29.300000

>  <TG_uM>
N/A

>  <RL_uM>
17.700000

>  <set>
0

$$$$
4-10f
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 58 59  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
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 27 55  1  0  0  0
 28 56  1  0  0  0
 28 57  1  0  0  0
 28 58  1  0  0  0
M  END
>  <Name>
4-10f

>  <Family>
A

>  <PC_uM>
>11

>  <TG_uM>
N/A

>  <RL_uM>
>11

>  <set>
0

$$$$
4-10g
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
   -4.5742   -0.5044   -1.0562 N   0  0  0  0  0  0
   -4.7179   -1.7215   -0.5342 C   0  0  0  0  0  0
   -3.8479   -2.2874    0.3010 N   0  0  0  0  0  0
   -2.7451   -1.5741    0.6432 C   0  0  0  0  0  0
   -2.4997   -0.2917    0.1539 C   0  0  0  0  0  0
   -3.4704    0.1902   -0.7259 C   0  0  0  0  0  0
   -1.3143    0.4958    0.5232 C   0  0  0  0  0  0
   -0.0875    0.2988   -0.1342 C   0  0  0  0  0  0
    1.0596    1.0331    0.2135 C   0  0  0  0  0  0
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   -0.2555    2.2164    1.8806 C   0  0  0  0  0  0
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 24 43  1  0  0  0
 24 44  1  0  0  0
M  END
>  <Name>
4-10g

>  <Family>
A

>  <PC_uM>
>11

>  <TG_uM>
N/A

>  <RL_uM>
>11

>  <set>
1

$$$$
4-10h
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 47 49  0  0  0  0  0  0  0  0999 V2000
   -4.5214   -0.3229   -0.1720 N   0  0  0  0  0  0
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   -3.3734    0.3374    0.0653 C   0  0  0  0  0  0
   -1.0850    0.5464    1.0765 C   0  0  0  0  0  0
    0.0576    0.3633    0.2785 C   0  0  0  0  0  0
    1.2507    1.0616    0.5317 C   0  0  0  0  0  0
    1.2805    1.9812    1.5904 C   0  0  0  0  0  0
    0.1523    2.1810    2.3886 C   0  0  0  0  0  0
   -1.0210    1.4676    2.1323 C   0  0  0  0  0  0
   -5.7836   -2.2413    0.0568 N   0  0  0  0  0  0
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 24 25  1  0  0  0
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 24 45  1  0  0  0
 25 46  1  0  0  0
 25 47  1  0  0  0
M  END
>  <Name>
4-10h

>  <Family>
A

>  <PC_uM>
40.400000

>  <TG_uM>
N/A

>  <RL_uM>
66.800000

>  <set>
0

$$$$
4-10i
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 49 51  0  0  0  0  0  0  0  0999 V2000
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   -2.4283   -0.1968    0.7976 C   0  0  0  0  0  0
   -3.4696    0.3757    0.0652 C   0  0  0  0  0  0
   -1.1644    0.5104    1.0503 C   0  0  0  0  0  0
   -0.0405    0.2864    0.2362 C   0  0  0  0  0  0
    1.1794    0.9436    0.4706 C   0  0  0  0  0  0
    1.2563    1.8635    1.5268 C   0  0  0  0  0  0
    0.1476    2.1033    2.3409 C   0  0  0  0  0  0
   -1.0533    1.4305    2.1031 C   0  0  0  0  0  0
   -5.9701   -2.1152    0.1030 N   0  0  0  0  0  0
   -3.3934    1.6650   -0.4311 N   0  0  0  0  0  0
    2.7168    2.7298    1.8561 Cl  0  0  0  0  0  0
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M  END
>  <Name>
4-10i

>  <Family>
A

>  <PC_uM>
8.500000

>  <TG_uM>
N/A

>  <RL_uM>
16.200000

>  <set>
1

$$$$
4-10j
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 48 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
4-10j

>  <Family>
A

>  <PC_uM>
3.300000

>  <TG_uM>
N/A

>  <RL_uM>
7.200000

>  <set>
0

$$$$
4-10k
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
4-10k

>  <Family>
A

>  <PC_uM>
1.700000

>  <TG_uM>
N/A

>  <RL_uM>
26.300000

>  <set>
1

$$$$
4-10l
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 44 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
4-10l

>  <Family>
A

>  <PC_uM>
3.500000

>  <TG_uM>
N/A

>  <RL_uM>
27.900000

>  <set>
0

$$$$
4-10m
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 47 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
4-10m

>  <Family>
A

>  <PC_uM>
11.500000

>  <TG_uM>
N/A

>  <RL_uM>
27.000000

>  <set>
1

$$$$
4-10n
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 50 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
4-10n

>  <Family>
A

>  <PC_uM>
2.500000

>  <TG_uM>
N/A

>  <RL_uM>
0.440000

>  <set>
0

$$$$
4-10o
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 53 54  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
4-10o

>  <Family>
A

>  <PC_uM>
4.900000

>  <TG_uM>
N/A

>  <RL_uM>
10.300000

>  <set>
0

$$$$
4-10p
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 54 56  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
4-10p

>  <Family>
A

>  <PC_uM>
0.260000

>  <TG_uM>
N/A

>  <RL_uM>
7.000000

>  <set>
0

$$$$
4-10q
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
4-10q

>  <Family>
A

>  <PC_uM>
0.440000

>  <TG_uM>
N/A

>  <RL_uM>
5.000000

>  <set>
0

$$$$
4-10r
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 54 55  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
4-10r

>  <Family>
A

>  <PC_uM>
0.910000

>  <TG_uM>
N/A

>  <RL_uM>
26.100000

>  <set>
0

$$$$
4-10s
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 49 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
4-10s

>  <Family>
A

>  <PC_uM>
0.570000

>  <TG_uM>
N/A

>  <RL_uM>
0.500000

>  <set>
2

$$$$
4-11
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
4-11

>  <Family>
A

>  <PC_uM>
5.000000

>  <TG_uM>
N/A

>  <RL_uM>
1.700000

>  <set>
2

$$$$
4-14a
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M  END
>  <Name>
4-14a

>  <Family>
A

>  <PC_uM>
0.170000

>  <TG_uM>
0.690000

>  <RL_uM>
19.400000

>  <set>
0

$$$$
5-10e
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M  END
>  <Name>
5-10e

>  <Family>
A

>  <PC_uM>
1.400000

>  <TG_uM>
0.080000

>  <RL_uM>
0.390000

>  <set>
0

$$$$
5-10f
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 67 69  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
5-10f

>  <Family>
A

>  <PC_uM>
0.860000

>  <TG_uM>
0.378000

>  <RL_uM>
0.845000

>  <set>
0

$$$$
5-10g
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 71 73  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
5-10g

>  <Family>
A

>  <PC_uM>
1.500000

>  <TG_uM>
0.070000

>  <RL_uM>
0.450000

>  <set>
2

$$$$
5-10h
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 59 61  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
5-10h

>  <Family>
A

>  <PC_uM>
92.000000

>  <TG_uM>
7.800000

>  <RL_uM>
14.900000

>  <set>
0

$$$$
5-10i
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
5-10i

>  <Family>
A

>  <PC_uM>
2.220000

>  <TG_uM>
1.250000

>  <RL_uM>
3.870000

>  <set>
0

$$$$
5-10j
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 59 61  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
5-10j

>  <Family>
A

>  <PC_uM>
1.910000

>  <TG_uM>
4.400000

>  <RL_uM>
3.830000

>  <set>
0

$$$$
5-10k
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 59 61  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
5-10k

>  <Family>
A

>  <PC_uM>
4.700000

>  <TG_uM>
6.100000

>  <RL_uM>
8.400000

>  <set>
0

$$$$
5-10l
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
5-10l

>  <Family>
A

>  <PC_uM>
0.580000

>  <TG_uM>
1.160000

>  <RL_uM>
1.290000

>  <set>
0

$$$$
5-10m
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 59 61  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
5-10m

>  <Family>
A

>  <PC_uM>
0.940000

>  <TG_uM>
0.800000

>  <RL_uM>
1.800000

>  <set>
0

$$$$
5-10n
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 62 64  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
5-10n

>  <Family>
A

>  <PC_uM>
11.080000

>  <TG_uM>
0.830000

>  <RL_uM>
11.230000

>  <set>
0

$$$$
5-10o
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 62 64  0  0  0  0  0  0  0  0999 V2000
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 30 31  1  0  0  0
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 33 58  1  0  0  0
 33 59  1  0  0  0
 34 60  1  0  0  0
 34 61  1  0  0  0
 34 62  1  0  0  0
M  END
>  <Name>
5-10o

>  <Family>
A

>  <PC_uM>
5.290000

>  <TG_uM>
5.390000

>  <RL_uM>
5.800000

>  <set>
0

$$$$
5-10p
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 62 64  0  0  0  0  0  0  0  0999 V2000
   -6.0799   -0.7998   -3.2383 N   0  0  0  0  0  0
   -6.6292   -1.3462   -2.1546 C   0  0  0  0  0  0
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   -4.2292   -0.0858   -1.8667 C   0  0  0  0  0  0
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   -2.9629    0.6531   -1.7219 C   0  0  0  0  0  0
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   -0.5462    2.0872   -1.5227 C   0  0  0  0  0  0
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 23 32  2  0  0  0
 23 33  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 49  1  0  0  0
 26 27  2  0  0  0
 26 50  1  0  0  0
 27 28  1  0  0  0
 27 34  1  0  0  0
 28 29  2  0  0  0
 28 51  1  0  0  0
 29 52  1  0  0  0
 30 31  1  0  0  0
 30 53  1  0  0  0
 30 54  1  0  0  0
 31 55  1  0  0  0
 31 56  1  0  0  0
 33 57  1  0  0  0
 33 58  1  0  0  0
 33 59  1  0  0  0
 34 60  1  0  0  0
 34 61  1  0  0  0
 34 62  1  0  0  0
M  END
>  <Name>
5-10p

>  <Family>
A

>  <PC_uM>
1.700000

>  <TG_uM>
0.630000

>  <RL_uM>
3.850000

>  <set>
0

$$$$
5-10q
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 62 64  0  0  0  0  0  0  0  0999 V2000
   -6.0986   -0.8015   -3.2331 N   0  0  0  0  0  0
   -6.6314   -1.3822   -2.1585 C   0  0  0  0  0  0
   -6.0799   -1.3629   -0.9467 N   0  0  0  0  0  0
   -4.9125   -0.6908   -0.7879 C   0  0  0  0  0  0
   -4.2777   -0.0360   -1.8447 C   0  0  0  0  0  0
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   -0.6261    2.1900   -1.4775 C   0  0  0  0  0  0
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M  END
>  <Name>
5-10q

>  <Family>
A

>  <PC_uM>
1.350000

>  <TG_uM>
2.540000

>  <RL_uM>
6.620000

>  <set>
0

$$$$
5-10r
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 61 63  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  34   1  36  -1
M  END
>  <Name>
5-10r

>  <Family>
A

>  <PC_uM>
1.300000

>  <TG_uM>
0.830000

>  <RL_uM>
1.610000

>  <set>
0

$$$$
5-10t
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
5-10t

>  <Family>
A

>  <PC_uM>
0.053000

>  <TG_uM>
0.200000

>  <RL_uM>
0.280000

>  <set>
0

$$$$
5-10u
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
5-10u

>  <Family>
A

>  <PC_uM>
0.590000

>  <TG_uM>
1.050000

>  <RL_uM>
0.620000

>  <set>
0

$$$$
5-10v
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 58 60  0  0  0  0  0  0  0  0999 V2000
   -5.1006   -0.7844   -3.0193 N   0  0  0  0  0  0
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M  END
>  <Name>
5-10v

>  <Family>
A

>  <PC_uM>
3.460000

>  <TG_uM>
0.640000

>  <RL_uM>
6.190000

>  <set>
0

$$$$
5-10s
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 61 63  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  34   1  36  -1
M  END
>  <Name>
5-10s

>  <Family>
A

>  <PC_uM>
1.210000

>  <TG_uM>
85.000000

>  <RL_uM>
3.330000

>  <set>
0

$$$$
5-12b
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
5-12b

>  <Family>
A

>  <PC_uM>
0.680000

>  <TG_uM>
2.010000

>  <RL_uM>
7.350000

>  <set>
1

$$$$
5-12c
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 57 59  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
5-12c

>  <Family>
A

>  <PC_uM>
0.480000

>  <TG_uM>
1.790000

>  <RL_uM>
4.670000

>  <set>
0

$$$$
5-12d
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 57 59  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
5-12d

>  <Family>
A

>  <PC_uM>
1.090000

>  <TG_uM>
1.470000

>  <RL_uM>
6.440000

>  <set>
0

$$$$
5-10a
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
5-10a

>  <Family>
A

>  <PC_uM>
1.300000

>  <TG_uM>
0.700000

>  <RL_uM>
3.300000

>  <set>
0

$$$$
5-10b
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 65 67  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
5-10b

>  <Family>
A

>  <PC_uM>
1.200000

>  <TG_uM>
0.660000

>  <RL_uM>
3.700000

>  <set>
0

$$$$
5-10c
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 66 69  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
5-10c

>  <Family>
A

>  <PC_uM>
0.850000

>  <TG_uM>
0.220000

>  <RL_uM>
0.690000

>  <set>
0

$$$$
5-10d
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 63 65  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
5-10d

>  <Family>
A

>  <PC_uM>
2.100000

>  <TG_uM>
0.440000

>  <RL_uM>
2.100000

>  <set>
0

$$$$
1-3075
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 34 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-3075

>  <Family>
B

>  <PC_uM>
>52

>  <TG_uM>
>52

>  <RL_uM>
>52

>  <set>
2

$$$$
1-3077
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 31 32  0  0  0  0  0  0  0  0999 V2000
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 16 30  1  0  0  0
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M  END
>  <Name>
1-3077

>  <Family>
B

>  <PC_uM>
0.154000

>  <TG_uM>
0.002200

>  <RL_uM>
0.029000

>  <set>
2

$$$$
1-5205
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 37 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-5205

>  <Family>
B

>  <PC_uM>
>20

>  <TG_uM>
N/A

>  <RL_uM>
>20

>  <set>
1

$$$$
1-96642
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-96642

>  <Family>
B

>  <PC_uM>
0.720000

>  <TG_uM>
N/A

>  <RL_uM>
0.160000

>  <set>
1

$$$$
1-104124
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-104124

>  <Family>
B

>  <PC_uM>
0.360000

>  <TG_uM>
0.016000

>  <RL_uM>
0.018000

>  <set>
1

$$$$
1-104129
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 53 55  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-104129

>  <Family>
B

>  <PC_uM>
2.230000

>  <TG_uM>
0.034000

>  <RL_uM>
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>  <set>
0

$$$$
1-109832
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-109832

>  <Family>
B

>  <PC_uM>
0.170000

>  <TG_uM>
0.030000

>  <RL_uM>
0.160000

>  <set>
1

$$$$
1-109834
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 47 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-109834

>  <Family>
B

>  <PC_uM>
1.400000

>  <TG_uM>
0.270000

>  <RL_uM>
0.250000

>  <set>
2

$$$$
1-112529
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 51 53  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-112529

>  <Family>
B

>  <PC_uM>
0.470000

>  <TG_uM>
0.011000

>  <RL_uM>
0.041000

>  <set>
1

$$$$
1-113220
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 54 56  0  0  0  0  0  0  0  0999 V2000
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1-115928
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1-115928

>  <Family>
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1.600000

>  <TG_uM>
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1

$$$$
1-118213
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M  END
>  <Name>
1-118213

>  <Family>
B

>  <PC_uM>
1.000000

>  <TG_uM>
0.026000

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>  <set>
1

$$$$
1-122059
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M  END
>  <Name>
1-122059

>  <Family>
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>  <PC_uM>
0.340000

>  <TG_uM>
N/A

>  <RL_uM>
0.027000

>  <set>
2

$$$$
1-127153
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 Structure written by MMmdl.
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M  END
>  <Name>
1-127153

>  <Family>
B

>  <PC_uM>
0.310000

>  <TG_uM>
0.026000

>  <RL_uM>
0.020000

>  <set>
1

$$$$
1-127752
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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>  <Name>
1-127752

>  <Family>
B

>  <PC_uM>
0.430000

>  <TG_uM>
0.010000

>  <RL_uM>
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>  <set>
2

$$$$
1-127753
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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>  <Name>
1-127753

>  <Family>
B

>  <PC_uM>
0.570000

>  <TG_uM>
0.012000

>  <RL_uM>
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>  <set>
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$$$$
1-127754
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-127754

>  <Family>
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0.270000

>  <TG_uM>
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$$$$
1-128189
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-128189

>  <Family>
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70.900000

>  <TG_uM>
1.440000

>  <RL_uM>
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1

$$$$
1-132275
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-132275

>  <Family>
B

>  <PC_uM>
0.300000

>  <TG_uM>
N/A

>  <RL_uM>
0.003800

>  <set>
1

$$$$
1-137765
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-137765

>  <Family>
B

>  <PC_uM>
0.440000

>  <TG_uM>
0.084000

>  <RL_uM>
0.280000

>  <set>
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$$$$
1-158695
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-158695

>  <Family>
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>  <PC_uM>
>26

>  <TG_uM>
N/A

>  <RL_uM>
>26

>  <set>
2

$$$$
1-211327
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-211327

>  <Family>
B

>  <PC_uM>
6.100000

>  <TG_uM>
0.031000

>  <RL_uM>
0.067000

>  <set>
2

$$$$
1-368890
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 37 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-368890

>  <Family>
B

>  <PC_uM>
66.900000

>  <TG_uM>
0.580000

>  <RL_uM>
0.570000

>  <set>
1

$$$$
6-55
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 39 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
6-55

>  <Family>
B

>  <PC_uM>
>60

>  <TG_uM>
>60

>  <RL_uM>
>60

>  <set>
2

$$$$
6-56
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 43 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
6-56

>  <Family>
B

>  <PC_uM>
20.400000

>  <TG_uM>
1.200000

>  <RL_uM>
6.100000

>  <set>
0

$$$$
6-57
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
6-57

>  <Family>
B

>  <PC_uM>
>90

>  <TG_uM>
>90

>  <RL_uM>
>90

>  <set>
1

$$$$
6-58
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 39 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
6-58

>  <Family>
B

>  <PC_uM>
12.900000

>  <TG_uM>
16.400000

>  <RL_uM>
11.400000

>  <set>
1

$$$$
6-59
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 43 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
6-59

>  <Family>
B

>  <PC_uM>
>100

>  <TG_uM>
84.000000

>  <RL_uM>
>100

>  <set>
0

$$$$
6-61
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
6-61

>  <Family>
B

>  <PC_uM>
4.400000

>  <TG_uM>
1.300000

>  <RL_uM>
9.100000

>  <set>
0

$$$$
6-62
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
6-62

>  <Family>
B

>  <PC_uM>
3.000000

>  <TG_uM>
1.400000

>  <RL_uM>
3.100000

>  <set>
0

$$$$
6-63
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
6-63

>  <Family>
B

>  <PC_uM>
0.840000

>  <TG_uM>
0.410000

>  <RL_uM>
1.200000

>  <set>
0

$$$$
1-137187
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-137187

>  <Family>
C

>  <PC_uM>
6.200000

>  <TG_uM>
2.500000

>  <RL_uM>
1.250000

>  <set>
1

$$$$
1-137188
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-137188

>  <Family>
C

>  <PC_uM>
0.590000

>  <TG_uM>
0.038000

>  <RL_uM>
0.036000

>  <set>
1

$$$$
1-137189
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-137189

>  <Family>
C

>  <PC_uM>
1.070000

>  <TG_uM>
0.057000

>  <RL_uM>
0.022000

>  <set>
2

$$$$
1-137191
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-137191

>  <Family>
C

>  <PC_uM>
0.120000

>  <TG_uM>
0.011000

>  <RL_uM>
0.016000

>  <set>
0

$$$$
1-137192
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-137192

>  <Family>
C

>  <PC_uM>
0.460000

>  <TG_uM>
0.052000

>  <RL_uM>
0.060000

>  <set>
2

$$$$
6-50
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
6-50

>  <Family>
D

>  <PC_uM>
1.000000

>  <TG_uM>
N/A

>  <RL_uM>
0.062000

>  <set>
1

$$$$
6-51
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
6-51

>  <Family>
D

>  <PC_uM>
>30

>  <TG_uM>
N/A

>  <RL_uM>
0.180000

>  <set>
0

$$$$
6-52
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
6-52

>  <Family>
D

>  <PC_uM>
>30

>  <TG_uM>
N/A

>  <RL_uM>
0.180000

>  <set>
1

$$$$
6-53
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
6-53

>  <Family>
D

>  <PC_uM>
6.800000

>  <TG_uM>
N/A

>  <RL_uM>
0.450000

>  <set>
2

$$$$
6-49
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
6-49

>  <Family>
D

>  <PC_uM>
>30

>  <TG_uM>
N/A

>  <RL_uM>
2.800000

>  <set>
1

$$$$
7-1
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
7-1

>  <Family>
E

>  <PC_uM>
>9

>  <TG_uM>
1.400000

>  <RL_uM>
15.000000

>  <set>
2

$$$$
7-2
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 51 54  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
7-2

>  <Family>
E

>  <PC_uM>
>35

>  <TG_uM>
>35

>  <RL_uM>
>35

>  <set>
2

$$$$
7-3
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
7-3

>  <Family>
E

>  <PC_uM>
>22.8

>  <TG_uM>
>20.4

>  <RL_uM>
22.800000

>  <set>
1

$$$$
7-4
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
7-4

>  <Family>
E

>  <PC_uM>
22.600000

>  <TG_uM>
13.100000

>  <RL_uM>
50.900000

>  <set>
1

$$$$
7-5
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
7-5

>  <Family>
E

>  <PC_uM>
24.100000

>  <TG_uM>
22.300000

>  <RL_uM>
20.600000

>  <set>
1

$$$$
7-6
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
7-6

>  <Family>
E

>  <PC_uM>
40.500000

>  <TG_uM>
31.700000

>  <RL_uM>
81.200000

>  <set>
0

$$$$
7-7
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
7-7

>  <Family>
E

>  <PC_uM>
10.900000

>  <TG_uM>
21.500000

>  <RL_uM>
85.800000

>  <set>
2

$$$$
1-Methotrexate
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 55 57  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-Methotrexate

>  <Family>
F.1

>  <PC_uM>
0.001300

>  <TG_uM>
0.014000

>  <RL_uM>
0.002500

>  <set>
1

$$$$
1-29630
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-29630

>  <Family>
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>  <PC_uM>
0.000035

>  <TG_uM>
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0

$$$$
1-98535
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-98535

>  <Family>
F.1

>  <PC_uM>
0.028000

>  <TG_uM>
N/A

>  <RL_uM>
0.017000

>  <set>
0

$$$$
1-98579
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-98579

>  <Family>
F.1

>  <PC_uM>
0.000210

>  <TG_uM>
0.000930

>  <RL_uM>
0.001450

>  <set>
0

$$$$
1-98580
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-98580

>  <Family>
F.1

>  <PC_uM>
0.001090

>  <TG_uM>
0.000950

>  <RL_uM>
0.000550

>  <set>
1

$$$$
1-107146
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 55 57  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-107146

>  <Family>
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>  <PC_uM>
0.000720

>  <TG_uM>
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>  <RL_uM>
0.000360

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0

$$$$
1-117356
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M  END
>  <Name>
1-117356

>  <Family>
F.1

>  <PC_uM>
0.000880

>  <TG_uM>
N/A

>  <RL_uM>
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>  <set>
0

$$$$
1-127977
  Cerius2 12180216023D 1   1.00000                          
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M  END
>  <Name>
1-127977

>  <Family>
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>  <PC_uM>
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>  <TG_uM>
>8

>  <RL_uM>
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>  <set>
0

$$$$
1-131463
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-131463

>  <Family>
F.1

>  <PC_uM>
0.940000

>  <TG_uM>
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>  <RL_uM>
0.110000

>  <set>
1

$$$$
1-136735
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-136735

>  <Family>
F.1

>  <PC_uM>
0.000104

>  <TG_uM>
0.001600

>  <RL_uM>
0.001650

>  <set>
0

$$$$
1-136736
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-136736

>  <Family>
F.1

>  <PC_uM>
0.000510

>  <TG_uM>
0.099000

>  <RL_uM>
0.004800

>  <set>
0

$$$$
1-137545
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-137545

>  <Family>
F.1

>  <PC_uM>
0.190000

>  <TG_uM>
0.280000

>  <RL_uM>
0.038000

>  <set>
2

$$$$
1-144698
  Cerius2 12180216023D 1   1.00000                          
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M  END
>  <Name>
1-144698

>  <Family>
F.1

>  <PC_uM>
0.000310

>  <TG_uM>
0.006700

>  <RL_uM>
0.001550

>  <set>
1

$$$$
1-152737
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-152737

>  <Family>
F.1

>  <PC_uM>
0.000490

>  <TG_uM>
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>  <RL_uM>
0.001100

>  <set>
2

$$$$
1-169531
  Cerius2 12180216023D 1   1.00000                          
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M  END
>  <Name>
1-169531

>  <Family>
F.1

>  <PC_uM>
0.000350

>  <TG_uM>
N/A

>  <RL_uM>
0.001400

>  <set>
0

$$$$
1-233903
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-233903

>  <Family>
F.1

>  <PC_uM>
153000.000000

>  <TG_uM>
N/A

>  <RL_uM>
220.000000

>  <set>
0

$$$$
1-233904
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-233904

>  <Family>
F.1

>  <PC_uM>
10.000000

>  <TG_uM>
16.900000

>  <RL_uM>
0.830000

>  <set>
1

$$$$
1-233910
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-233910

>  <Family>
F.1

>  <PC_uM>
7.100000

>  <TG_uM>
N/A

>  <RL_uM>
0.170000

>  <set>
1

$$$$
1-235791
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-235791

>  <Family>
F.1

>  <PC_uM>
0.720000

>  <TG_uM>
N/A

>  <RL_uM>
0.075000

>  <set>
1

$$$$
1-236642
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-236642

>  <Family>
F.1

>  <PC_uM>
>5

>  <TG_uM>
N/A

>  <RL_uM>
>10

>  <set>
0

$$$$
1-241522
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 46 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-241522

>  <Family>
F.1

>  <PC_uM>
3.100000

>  <TG_uM>
N/A

>  <RL_uM>
0.480000

>  <set>
2

$$$$
8-1
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
8-1

>  <Family>
F.1

>  <PC_uM>
9.500000

>  <TG_uM>
0.770000

>  <RL_uM>
246.000000

>  <set>
0

$$$$
9-12a
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-12a

>  <Family>
F.1

>  <PC_uM>
0.130000

>  <TG_uM>
0.076000

>  <RL_uM>
1.260000

>  <set>
0

$$$$
9-12c
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-12c

>  <Family>
F.1

>  <PC_uM>
4.200000

>  <TG_uM>
7.000000

>  <RL_uM>
8.200000

>  <set>
1

$$$$
9-12d
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-12d

>  <Family>
F.1

>  <PC_uM>
21.200000

>  <TG_uM>
1.800000

>  <RL_uM>
8.480000

>  <set>
0

$$$$
9-12e
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-12e

>  <Family>
F.1

>  <PC_uM>
30.000000

>  <TG_uM>
15.000000

>  <RL_uM>
26.000000

>  <set>
0

$$$$
9-12g
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 36 38  0  0  0  0  0  0  0  0999 V2000
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 22 36  1  0  0  0
M  END
>  <Name>
9-12g

>  <Family>
F.1

>  <PC_uM>
17.200000

>  <TG_uM>
14.000000

>  <RL_uM>
10.200000

>  <set>
0

$$$$
9-12h
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
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 24 38  1  0  0  0
 24 39  1  0  0  0
 24 40  1  0  0  0
M  END
>  <Name>
9-12h

>  <Family>
F.1

>  <PC_uM>
58.200000

>  <TG_uM>
23.200000

>  <RL_uM>
36.300000

>  <set>
2

$$$$
9-12i
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 32 34  0  0  0  0  0  0  0  0999 V2000
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    1.3064   -0.0259    0.6819 C   0  0  0  0  0  0
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    3.6922    0.5868   -0.5991 C   0  0  0  0  0  0
    4.0712    1.4317   -1.6491 C   0  0  0  0  0  0
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  1  2  2  0  0  0
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  6 19  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
 12 13  1  0  0  0
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 19 30  1  0  0  0
 20 31  1  0  0  0
 20 32  1  0  0  0
M  END
>  <Name>
9-12i

>  <Family>
F.1

>  <PC_uM>
42.200000

>  <TG_uM>
5.700000

>  <RL_uM>
26.600000

>  <set>
1

$$$$
9-12j
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 32 34  0  0  0  0  0  0  0  0999 V2000
   -4.9079   -0.5056    0.1034 N   0  0  0  0  0  0
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    6.9926    3.1490    0.0036 Cl  0  0  0  0  0  0
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  6 19  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  9 10  2  0  0  0
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 11 12  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
 12 13  1  0  0  0
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 19 30  1  0  0  0
 20 31  1  0  0  0
 20 32  1  0  0  0
M  END
>  <Name>
9-12j

>  <Family>
F.1

>  <PC_uM>
42.100000

>  <TG_uM>
16.800000

>  <RL_uM>
14.300000

>  <set>
0

$$$$
9-12k
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 33 35  0  0  0  0  0  0  0  0999 V2000
   -5.0671   -0.0713    0.2400 N   0  0  0  0  0  0
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  9 10  2  0  0  0
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 11 24  1  0  0  0
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 13 14  2  0  0  0
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 19 30  1  0  0  0
 19 31  1  0  0  0
 20 32  1  0  0  0
 20 33  1  0  0  0
M  END
>  <Name>
9-12k

>  <Family>
F.1

>  <PC_uM>
1.500000

>  <TG_uM>
0.590000

>  <RL_uM>
0.300000

>  <set>
2

$$$$
9-12l
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
   -4.5727   -2.4760    1.2924 N   0  0  0  0  0  0
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 23 40  1  0  0  0
M  END
>  <Name>
9-12l

>  <Family>
F.1

>  <PC_uM>
>3

>  <TG_uM>
0.440000

>  <RL_uM>
>3

>  <set>
1

$$$$
9-12m
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
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  8 24  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
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 21 37  1  0  0  0
 22 23  1  0  0  0
 23 38  1  0  0  0
 23 39  1  0  0  0
 23 40  1  0  0  0
M  END
>  <Name>
9-12m

>  <Family>
F.1

>  <PC_uM>
15.800000

>  <TG_uM>
1.850000

>  <RL_uM>
5.700000

>  <set>
1

$$$$
9-12n
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
   -5.0278   -0.4646    0.0210 N   0  0  0  0  0  0
   -4.9706   -1.7900    0.1195 C   0  0  0  0  0  0
   -3.8752   -2.4739    0.4338 N   0  0  0  0  0  0
   -2.7613   -1.7857    0.6619 C   0  0  0  0  0  0
   -2.6836   -0.3884    0.5942 C   0  0  0  0  0  0
   -3.8955    0.2169    0.2702 C   0  0  0  0  0  0
   -1.6711   -2.4978    0.9702 N   0  0  0  0  0  0
   -0.5166   -1.8198    1.2088 C   0  0  0  0  0  0
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    0.8920    0.2605    1.4068 C   0  0  0  0  0  0
    1.6452    0.3959    0.1663 N   0  0  0  0  0  0
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    4.7658    1.3911   -1.5294 C   0  0  0  0  0  0
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    3.7280    1.4139    1.0914 C   0  0  0  0  0  0
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    5.1443    1.3178   -2.8415 O   0  0  0  0  0  0
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    3.3991    1.8055    4.3463 H   0  0  0  0  0  0
    4.2355    2.9515    3.2928 H   0  0  0  0  0  0
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  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
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  5  6  2  0  0  0
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  6 19  1  0  0  0
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 15 16  2  0  0  0
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 23 24  1  0  0  0
 24 39  1  0  0  0
 24 40  1  0  0  0
 24 41  1  0  0  0
M  END
>  <Name>
9-12n

>  <Family>
F.1

>  <PC_uM>
6.200000

>  <TG_uM>
6.900000

>  <RL_uM>
22.900000

>  <set>
0

$$$$
9-12o
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
   -4.6222    0.2615    1.3693 N   0  0  0  0  0  0
   -5.0437   -0.9567    1.0406 C   0  0  0  0  0  0
   -4.3007   -1.8671    0.4197 N   0  0  0  0  0  0
   -3.0527   -1.5357    0.1045 C   0  0  0  0  0  0
   -2.4834   -0.2894    0.3946 C   0  0  0  0  0  0
   -3.3525    0.5748    1.0559 C   0  0  0  0  0  0
   -2.3267   -2.4667   -0.5258 N   0  0  0  0  0  0
   -1.0450   -2.1564   -0.8583 C   0  0  0  0  0  0
   -0.4671   -0.9318   -0.5729 C   0  0  0  0  0  0
   -1.1914    0.0268    0.0593 N   0  0  0  0  0  0
    0.9686   -0.6394   -0.9698 C   0  0  0  0  0  0
    1.8552   -0.4601    0.1991 N   0  0  0  0  0  0
    2.9669    0.3910    0.0684 C   0  0  0  0  0  0
    3.7156    0.4249   -1.1233 C   0  0  0  0  0  0
    4.8377    1.2486   -1.2697 C   0  0  0  0  0  0
    5.2289    2.0583   -0.2092 C   0  0  0  0  0  0
    4.5042    2.0475    0.9875 C   0  0  0  0  0  0
    3.3794    1.2266    1.1366 C   0  0  0  0  0  0
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    5.4578    1.1629   -2.4862 O   0  0  0  0  0  0
    6.6053    1.9883   -2.6825 C   0  0  0  0  0  0
    2.6023    1.1896    2.2709 O   0  0  0  0  0  0
    2.9789    2.0324    3.3568 C   0  0  0  0  0  0
    2.0799   -1.6235    1.0621 C   0  0  0  0  0  0
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    0.9374    0.2798   -1.5698 H   0  0  0  0  0  0
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    4.8478    2.7019    1.7844 H   0  0  0  0  0  0
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    2.2577    1.8748    4.1646 H   0  0  0  0  0  0
    2.9326    3.0882    3.0707 H   0  0  0  0  0  0
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    1.1324   -2.1033    1.3266 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
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  5  6  2  0  0  0
  5 10  1  0  0  0
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  7  8  2  0  0  0
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 11 28  1  0  0  0
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 19 32  1  0  0  0
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 24 40  1  0  0  0
 24 41  1  0  0  0
 25 42  1  0  0  0
 25 43  1  0  0  0
 25 44  1  0  0  0
M  END
>  <Name>
9-12o

>  <Family>
F.1

>  <PC_uM>
3.900000

>  <TG_uM>
0.210000

>  <RL_uM>
0.470000

>  <set>
1

$$$$
9-12p
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
   -4.9796   -1.0134    0.1647 N   0  0  0  0  0  0
   -4.8995   -2.3260    0.3656 C   0  0  0  0  0  0
   -3.7873   -2.9675    0.7087 N   0  0  0  0  0  0
   -2.6800   -2.2479    0.8591 C   0  0  0  0  0  0
   -2.6261   -0.8591    0.6809 C   0  0  0  0  0  0
   -3.8533   -0.2986    0.3352 C   0  0  0  0  0  0
   -1.5723   -2.9175    1.1995 N   0  0  0  0  0  0
   -0.4247   -2.2057    1.3610 C   0  0  0  0  0  0
   -0.3605   -0.8330    1.2000 C   0  0  0  0  0  0
   -1.4701   -0.1378    0.8459 N   0  0  0  0  0  0
    0.9503   -0.0956    1.3690 C   0  0  0  0  0  0
    1.6954   -0.0689    0.1151 N   0  0  0  0  0  0
    2.9658    0.4559   -0.0299 C   0  0  0  0  0  0
    3.5641    0.4298   -1.2979 C   0  0  0  0  0  0
    4.8595    0.9119   -1.5144 C   0  0  0  0  0  0
    5.5802    1.4262   -0.4406 C   0  0  0  0  0  0
    5.0153    1.4542    0.8379 C   0  0  0  0  0  0
    3.7188    0.9652    1.0362 C   0  0  0  0  0  0
   -3.9635    1.0615    0.0723 N   0  0  0  0  0  0
   -6.0327   -3.0611    0.2072 N   0  0  0  0  0  0
    5.2979    0.8214   -2.8076 O   0  0  0  0  0  0
    6.6178    1.2943   -3.0737 C   0  0  0  0  0  0
    5.8306    1.9794    1.8057 O   0  0  0  0  0  0
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  1  6  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
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  4  5  1  0  0  0
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  5  6  2  0  0  0
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  9 10  2  0  0  0
  9 11  1  0  0  0
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 17 18  2  0  0  0
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 21 22  1  0  0  0
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 22 37  1  0  0  0
 22 38  1  0  0  0
 23 24  1  0  0  0
 24 39  1  0  0  0
 24 40  1  0  0  0
 24 41  1  0  0  0
M  END
>  <Name>
9-12p

>  <Family>
F.1

>  <PC_uM>
0.960000

>  <TG_uM>
0.110000

>  <RL_uM>
0.880000

>  <set>
1

$$$$
9-12q
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
   -5.6885   -0.9703    0.1249 N   0  0  0  0  0  0
   -5.6068   -2.2845    0.3142 C   0  0  0  0  0  0
   -4.4925   -2.9284    0.6460 N   0  0  0  0  0  0
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   -3.3322   -0.8192    0.6310 C   0  0  0  0  0  0
   -4.5617   -0.2565    0.2965 C   0  0  0  0  0  0
   -2.2755   -2.8819    1.1259 N   0  0  0  0  0  0
   -1.1273   -2.1717    1.2895 C   0  0  0  0  0  0
   -1.0640   -0.7976    1.1405 C   0  0  0  0  0  0
   -2.1752   -0.0993    0.7971 N   0  0  0  0  0  0
    0.2480   -0.0623    1.3103 C   0  0  0  0  0  0
    1.0031   -0.0535    0.0618 N   0  0  0  0  0  0
    2.2770    0.4626   -0.0835 C   0  0  0  0  0  0
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    4.9106    1.3929   -0.4722 C   0  0  0  0  0  0
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M  END
>  <Name>
9-12q

>  <Family>
F.1

>  <PC_uM>
7.000000

>  <TG_uM>
1.000000

>  <RL_uM>
1.900000

>  <set>
2

$$$$
9-12r
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
   -4.4479   -1.5056    0.6509 N   0  0  0  0  0  0
   -4.6348   -2.8224    0.6294 C   0  0  0  0  0  0
   -3.6659   -3.7168    0.4628 N   0  0  0  0  0  0
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M  END
>  <Name>
9-12r

>  <Family>
F.1

>  <PC_uM>
21.000000

>  <TG_uM>
10.600000

>  <RL_uM>
21.000000

>  <set>
1

$$$$
9-12s
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
   -4.9456   -1.6161    0.5870 N   0  0  0  0  0  0
   -5.0795   -2.9394    0.6065 C   0  0  0  0  0  0
   -4.0728   -3.7989    0.4876 N   0  0  0  0  0  0
   -2.8492   -3.3011    0.3419 C   0  0  0  0  0  0
   -2.5684   -1.9288    0.3027 C   0  0  0  0  0  0
   -3.7026   -1.1294    0.4238 C   0  0  0  0  0  0
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    3.4451    2.5007   -0.3608 C   0  0  0  0  0  0
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 26 40  1  0  0  0
M  END
>  <Name>
9-12s

>  <Family>
F.1

>  <PC_uM>
0.680000

>  <TG_uM>
0.890000

>  <RL_uM>
1.900000

>  <set>
1

$$$$
9-12t
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 40 43  0  0  0  0  0  0  0  0999 V2000
   -4.8382   -0.3251    2.8345 N   0  0  0  0  0  0
   -5.0861   -1.3300    1.9988 C   0  0  0  0  0  0
   -4.2366   -1.7660    1.0742 N   0  0  0  0  0  0
   -3.0603   -1.1546    0.9784 C   0  0  0  0  0  0
   -2.6710   -0.0872    1.7976 C   0  0  0  0  0  0
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 22 38  1  0  0  0
 23 24  2  0  0  0
 23 39  1  0  0  0
 24 40  1  0  0  0
M  END
>  <Name>
9-12t

>  <Family>
F.1

>  <PC_uM>
97.000000

>  <TG_uM>
0.820000

>  <RL_uM>
60.000000

>  <set>
2

$$$$
9-12u
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 42 44  0  0  0  0  0  0  0  0999 V2000
   -4.8557   -0.6846    1.6430 N   0  0  0  0  0  0
   -5.0328   -1.6934    0.7944 C   0  0  0  0  0  0
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 24 42  1  0  0  0
M  END
>  <Name>
9-12u

>  <Family>
F.1

>  <PC_uM>
11.100000

>  <TG_uM>
5.400000

>  <RL_uM>
23.200000

>  <set>
2

$$$$
10-2d
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 34 36  0  0  0  0  0  0  0  0999 V2000
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  5 10  1  0  0  0
  6 18  1  0  0  0
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  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  2  0  0  0
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 11 20  1  0  0  0
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 20 21  1  0  0  0
 21 22  2  0  0  0
M  END
>  <Name>
10-2d

>  <Family>
F.1

>  <PC_uM>
9.800000

>  <TG_uM>
5.800000

>  <RL_uM>
7.000000

>  <set>
2

$$$$
9-12f
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 36 38  0  0  0  0  0  0  0  0999 V2000
   -4.8672   -1.0307   -0.1010 N   0  0  0  0  0  0
   -4.8380   -2.3102   -0.4634 C   0  0  0  0  0  0
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    1.2209   -0.5146   -0.0752 C   0  0  0  0  0  0
    1.8395    0.0800   -1.6955 S   0  0  0  0  0  0
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    5.8854    0.3208   -1.7034 C   0  0  0  0  0  0
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  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
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  6 19  1  0  0  0
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  8 23  1  0  0  0
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 20 33  1  0  0  0
 21 22  1  0  0  0
 22 34  1  0  0  0
 22 35  1  0  0  0
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M  END
>  <Name>
9-12f

>  <Family>
F.1

>  <PC_uM>
9.900000

>  <TG_uM>
1.600000

>  <RL_uM>
7.700000

>  <set>
1

$$$$
10-9a
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
   -4.0633   -2.0868    1.4501 N   0  0  0  0  0  0
   -3.9804   -3.3752    1.1291 C   0  0  0  0  0  0
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   -2.9550   -1.3432    1.2865 C   0  0  0  0  0  0
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    0.4028   -3.0753   -0.1867 C   0  0  0  0  0  0
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   -0.6229   -1.0877    0.6035 N   0  0  0  0  0  0
    1.7402   -0.9466   -0.0929 C   0  0  0  0  0  0
    3.9428    1.4843   -0.0003 C   0  0  0  0  0  0
    4.0570    2.2016    1.1995 C   0  0  0  0  0  0
    3.6214    3.5259    1.2783 C   0  0  0  0  0  0
    3.0782    4.1512    0.1579 C   0  0  0  0  0  0
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  5  6  2  0  0  0
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 23 36  1  0  0  0
 23 37  1  0  0  0
M  END
>  <Name>
10-9a

>  <Family>
F.1

>  <PC_uM>
11.200000

>  <TG_uM>
1.900000

>  <RL_uM>
2.300000

>  <set>
1

$$$$
10-10a
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
10-10a

>  <Family>
F.1

>  <PC_uM>
2.100000

>  <TG_uM>
0.189000

>  <RL_uM>
1.290000

>  <set>
2

$$$$
1-79658
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 21 22  0  0  0  0  0  0  0  0999 V2000
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   -2.0908   -1.3672    0.9524 C   0  0  0  0  0  0
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    1.3183    0.6954    0.0018 N   0  0  0  0  0  0
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M  END
>  <Name>
1-79658

>  <Family>
F.2

>  <PC_uM>
>20

>  <TG_uM>
>20

>  <RL_uM>
>20

>  <set>
2

$$$$
1-174121
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-174121

>  <Family>
F.2

>  <PC_uM>
0.000190

>  <TG_uM>
0.002280

>  <RL_uM>
0.002500

>  <set>
0

$$$$
1-232965
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-232965

>  <Family>
F.2

>  <PC_uM>
9.500000

>  <TG_uM>
0.770000

>  <RL_uM>
246.000000

>  <set>
0

$$$$
1-235776
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-235776

>  <Family>
F.2

>  <PC_uM>
>1.9

>  <TG_uM>
2.700000

>  <RL_uM>
>1.9

>  <set>
0

$$$$
1-233912
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-233912

>  <Family>
F.2

>  <PC_uM>
136.000000

>  <TG_uM>
2.700000

>  <RL_uM>
13.000000

>  <set>
2

$$$$
1-235777
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
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0.130000

>  <TG_uM>
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>  <RL_uM>
1.260000

>  <set>
0

$$$$
6-40
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 Structure written by MMmdl.
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M  END
>  <Name>
6-40

>  <Family>
F.2

>  <PC_uM>
3.900000

>  <TG_uM>
14.000000

>  <RL_uM>
44.000000

>  <set>
0

$$$$
6-41
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
6-41

>  <Family>
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>  <PC_uM>
26.000000

>  <TG_uM>
39.000000

>  <RL_uM>
64.000000

>  <set>
1

$$$$
6-42
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
6-42

>  <Family>
F.2

>  <PC_uM>
5.900000

>  <TG_uM>
2.500000

>  <RL_uM>
8.300000

>  <set>
0

$$$$
6-43
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
6-43

>  <Family>
F.2

>  <PC_uM>
4.400000

>  <TG_uM>
>28

>  <RL_uM>
18.000000

>  <set>
1

$$$$
6-44
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 Structure written by MMmdl.
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M  END
>  <Name>
6-44

>  <Family>
F.2

>  <PC_uM>
4.900000

>  <TG_uM>
4.800000

>  <RL_uM>
4.500000

>  <set>
1

$$$$
6-45
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
6-45

>  <Family>
F.2

>  <PC_uM>
1.100000

>  <TG_uM>
1.000000

>  <RL_uM>
2.700000

>  <set>
1

$$$$
6-46
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
6-46

>  <Family>
F.2

>  <PC_uM>
2.600000

>  <TG_uM>
0.460000

>  <RL_uM>
27.000000

>  <set>
2

$$$$
6-47
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
6-47

>  <Family>
F.2

>  <PC_uM>
4.000000

>  <TG_uM>
>31

>  <RL_uM>
>31

>  <set>
1

$$$$
6-48
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
6-48

>  <Family>
F.2

>  <PC_uM>
18.400000

>  <TG_uM>
4.900000

>  <RL_uM>
1.300000

>  <set>
2

$$$$
11-GR92754
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
11-GR92754

>  <Family>
F.2

>  <PC_uM>
0.082000

>  <TG_uM>
0.028000

>  <RL_uM>
0.320000

>  <set>
1

$$$$
11-AH10639
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 36 37  0  0  0  0  0  0  0  0999 V2000
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    0.1518   -1.4220   -0.1500 N   0  0  0  0  0  0
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  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
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  5  6  2  0  0  0
  5 10  1  0  0  0
  6 11  1  0  0  0
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M  END
>  <Name>
11-AH10639

>  <Family>
F.2

>  <PC_uM>
0.200000

>  <TG_uM>
0.033000

>  <RL_uM>
1.100000

>  <set>
0

$$$$
11-AH2503
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 30 31  0  0  0  0  0  0  0  0999 V2000
   -2.6096   -0.0386    1.4586 N   0  0  0  0  0  0
   -2.5669   -1.2118    0.8332 C   0  0  0  0  0  0
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   -1.4433    0.6120    1.6154 C   0  0  0  0  0  0
    0.7954   -1.7134    0.0849 N   0  0  0  0  0  0
    2.0007   -1.0898    0.2432 C   0  0  0  0  0  0
    2.0939    0.1526    0.8683 C   0  0  0  0  0  0
    0.9792    0.7600    1.3496 N   0  0  0  0  0  0
   -1.5173    1.8115    2.3132 N   0  0  0  0  0  0
   -3.7391   -1.8783    0.6565 N   0  0  0  0  0  0
    3.3815    0.9085    1.0658 C   0  0  0  0  0  0
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  1  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
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 16 28  1  0  0  0
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 16 30  1  0  0  0
M  END
>  <Name>
11-AH2503

>  <Family>
F.2

>  <PC_uM>
0.620000

>  <TG_uM>
1.000000

>  <RL_uM>
2.200000

>  <set>
1

$$$$
11-AH2501
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 48 49  0  0  0  0  0  0  0  0999 V2000
   -4.3710    0.2178    2.3510 N   0  0  0  0  0  0
   -4.4315   -0.8293    1.5328 C   0  0  0  0  0  0
   -3.4657   -1.1809    0.6904 N   0  0  0  0  0  0
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   -2.1742    0.6897    1.4690 C   0  0  0  0  0  0
   -3.2559    0.9675    2.3013 C   0  0  0  0  0  0
   -1.4022   -0.8099   -0.1819 N   0  0  0  0  0  0
   -0.2475   -0.0827   -0.2460 C   0  0  0  0  0  0
   -0.0635    1.0485    0.5478 C   0  0  0  0  0  0
   -1.0295    1.4387    1.4173 N   0  0  0  0  0  0
   -3.2064    2.0249    3.2015 N   0  0  0  0  0  0
   -5.5571   -1.5918    1.5624 N   0  0  0  0  0  0
    1.1758    1.9056    0.5269 C   0  0  0  0  0  0
    0.7809   -0.5986   -1.2220 C   0  0  0  0  0  0
    2.3072    1.3145    1.3703 C   0  0  0  0  0  0
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 22 46  1  0  0  0
 22 47  1  0  0  0
 22 48  1  0  0  0
M  END
>  <Name>
11-AH2501

>  <Family>
F.2

>  <PC_uM>
1.500000

>  <TG_uM>
0.170000

>  <RL_uM>
0.610000

>  <set>
2

$$$$
11-AH2504
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 38 40  0  0  0  0  0  0  0  0999 V2000
   -3.6414    0.0335    2.3260 N   0  0  0  0  0  0
   -3.9402   -0.9866    1.5264 C   0  0  0  0  0  0
   -3.1099   -1.5037    0.6269 N   0  0  0  0  0  0
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M  END
>  <Name>
11-AH2504

>  <Family>
F.2

>  <PC_uM>
2.000000

>  <TG_uM>
0.018000

>  <RL_uM>
0.410000

>  <set>
2

$$$$
11-AH2497
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 56 59  0  0  0  0  0  0  0  0999 V2000
   -4.0936    0.3748    0.1455 N   0  0  0  0  0  0
   -3.9155   -0.7824   -0.4855 C   0  0  0  0  0  0
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M  END
>  <Name>
11-AH2497

>  <Family>
F.2

>  <PC_uM>
>5

>  <TG_uM>
0.460000

>  <RL_uM>
>5

>  <set>
0

$$$$
11-AH2498
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
11-AH2498

>  <Family>
F.2

>  <PC_uM>
>5

>  <TG_uM>
46.000000

>  <RL_uM>
>5

>  <set>
0

$$$$
12-4b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
12-4b

>  <Family>
F.2

>  <PC_uM>
1.400000

>  <TG_uM>
0.910000

>  <RL_uM>
5.100000

>  <set>
0

$$$$
12-4d
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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  2 13  1  0  0  0
  3  4  2  0  0  0
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 18 22  1  0  0  0
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 24 25  1  0  0  0
 24 40  1  0  0  0
 25 26  2  0  0  0
 25 41  1  0  0  0
 26 42  1  0  0  0
M  END
>  <Name>
12-4d

>  <Family>
F.2

>  <PC_uM>
3.400000

>  <TG_uM>
2.200000

>  <RL_uM>
13.000000

>  <set>
2

$$$$
12-4g
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 46  0  0  0  0  0  0  0  0999 V2000
   -3.5846   -2.0155    3.0483 N   0  0  0  0  0  0
   -3.5740   -3.2890    2.6622 C   0  0  0  0  0  0
   -2.4801   -3.9635    2.3254 N   0  0  0  0  0  0
   -1.3176   -3.3225    2.3830 C   0  0  0  0  0  0
   -1.1861   -1.9843    2.7746 C   0  0  0  0  0  0
   -2.4007   -1.3784    3.0874 C   0  0  0  0  0  0
   -0.2314   -4.0258    2.0439 N   0  0  0  0  0  0
    0.9720   -3.3943    2.0860 C   0  0  0  0  0  0
    1.1193   -2.0716    2.4668 C   0  0  0  0  0  0
    0.0283   -1.3489    2.8281 N   0  0  0  0  0  0
    2.4921   -1.4219    2.4914 C   0  0  0  0  0  0
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    2.6515   -0.3747    1.4462 N   0  0  0  0  0  0
    2.6111   -0.7945    0.0938 C   0  0  0  0  0  0
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    2.8273    0.9593    1.8897 C   0  0  0  0  0  0
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    3.2129    3.6409    2.7222 C   0  0  0  0  0  0
    3.8810    3.1545    1.6038 C   0  0  0  0  0  0
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    1.8195    3.1801    4.2971 H   0  0  0  0  0  0
    3.3575    4.6712    3.0412 H   0  0  0  0  0  0
    4.5552    3.8017    1.0459 H   0  0  0  0  0  0
    4.2380    1.4770    0.3237 H   0  0  0  0  0  0
    3.7440   -2.6385    0.3340 H   0  0  0  0  0  0
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    1.3768    0.2403   -2.9347 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
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 11 29  1  0  0  0
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 12 31  1  0  0  0
 13 32  1  0  0  0
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 18 22  1  0  0  0
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 25 26  2  0  0  0
 25 42  1  0  0  0
 26 43  1  0  0  0
M  END
>  <Name>
12-4g

>  <Family>
F.2

>  <PC_uM>
4.900000

>  <TG_uM>
1.300000

>  <RL_uM>
4.000000

>  <set>
0

$$$$
12-4c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 48  0  0  0  0  0  0  0  0999 V2000
   -2.5029   -1.9713    2.6431 N   0  0  0  0  0  0
   -2.4620   -3.2670    2.9419 C   0  0  0  0  0  0
   -1.3620   -4.0121    2.9077 N   0  0  0  0  0  0
   -0.2272   -3.4218    2.5462 C   0  0  0  0  0  0
   -0.1309   -2.0675    2.2057 C   0  0  0  0  0  0
   -1.3431   -1.3874    2.2928 C   0  0  0  0  0  0
    0.8670   -4.1914    2.5198 N   0  0  0  0  0  0
    2.0415   -3.6131    2.1511 C   0  0  0  0  0  0
    2.1520   -2.2790    1.7964 C   0  0  0  0  0  0
    1.0537   -1.4836    1.8380 N   0  0  0  0  0  0
    3.5166   -1.7115    1.4318 C   0  0  0  0  0  0
   -1.4307   -0.0456    1.9444 N   0  0  0  0  0  0
   -3.6255   -3.8697    3.3059 N   0  0  0  0  0  0
    3.4651   -0.5011    0.5696 N   0  0  0  0  0  0
    3.4238   -0.6789   -0.8354 C   0  0  0  0  0  0
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    3.7843    3.1991    0.9708 C   0  0  0  0  0  0
    3.6142    3.3680    2.3398 C   0  0  0  0  0  0
    3.3795    2.2573    3.1381 C   0  0  0  0  0  0
    3.3254    0.9791    2.5681 C   0  0  0  0  0  0
    3.1661   -1.9124   -1.4612 C   0  0  0  0  0  0
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  1  2  2  0  0  0
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 25 26  2  0  0  0
 25 41  1  0  0  0
 26 42  1  0  0  0
 27 43  1  0  0  0
 27 44  1  0  0  0
M  END
>  <Name>
12-4c

>  <Family>
F.2

>  <PC_uM>
0.042000

>  <TG_uM>
0.029000

>  <RL_uM>
0.027000

>  <set>
1

$$$$
12-4e
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 46  0  0  0  0  0  0  0  0999 V2000
   -2.4976   -2.0501    2.3927 N   0  0  0  0  0  0
   -2.3898   -3.2644    2.9254 C   0  0  0  0  0  0
   -1.2506   -3.9409    3.0297 N   0  0  0  0  0  0
   -0.1452   -3.3646    2.5684 C   0  0  0  0  0  0
   -0.1180   -2.0919    1.9851 C   0  0  0  0  0  0
   -1.3670   -1.4769    1.9429 C   0  0  0  0  0  0
    0.9890   -4.0647    2.6859 N   0  0  0  0  0  0
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    3.5217   -1.6862    1.1806 C   0  0  0  0  0  0
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    3.3911    2.1350    3.1179 C   0  0  0  0  0  0
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  4  5  1  0  0  0
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 18 22  1  0  0  0
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 25 26  2  0  0  0
 25 41  1  0  0  0
 26 42  1  0  0  0
M  END
>  <Name>
12-4e

>  <Family>
F.2

>  <PC_uM>
0.120000

>  <TG_uM>
0.110000

>  <RL_uM>
0.200000

>  <set>
0

$$$$
12-4f
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 45  0  0  0  0  0  0  0  0999 V2000
   -4.0240    0.3718    1.7708 N   0  0  0  0  0  0
   -4.3013   -0.0766    0.5494 C   0  0  0  0  0  0
   -3.4413   -0.0785   -0.4640 N   0  0  0  0  0  0
   -2.2228    0.4035   -0.2410 C   0  0  0  0  0  0
   -1.8002    0.9034    0.9966 C   0  0  0  0  0  0
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    0.3112    1.3791    0.1398 C   0  0  0  0  0  0
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M  END
>  <Name>
12-4f

>  <Family>
F.2

>  <PC_uM>
0.100000

>  <TG_uM>
0.012000

>  <RL_uM>
0.055000

>  <set>
1

$$$$
12-4a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 49  0  0  0  0  0  0  0  0999 V2000
   -4.2776    1.5841    1.1457 N   0  0  0  0  0  0
   -4.5299    0.4538    0.4911 C   0  0  0  0  0  0
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M  END
>  <Name>
12-4a

>  <Family>
F.2

>  <PC_uM>
0.210000

>  <TG_uM>
0.043000

>  <RL_uM>
4.400000

>  <set>
0

$$$$
10-18d
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 22 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0
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M  END
>  <Name>
10-18d

>  <Family>
F.2

>  <PC_uM>
>51

>  <TG_uM>
>51

>  <RL_uM>
>51

>  <set>
1

$$$$
1-122870
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 54 56  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-122870

>  <Family>
G.1

>  <PC_uM>
0.000420

>  <TG_uM>
0.001330

>  <RL_uM>
0.000156

>  <set>
2

$$$$
1-Trimetrexate
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 50 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
1-Trimetrexate

>  <Family>
G.1

>  <PC_uM>
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>  <TG_uM>
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>  <RL_uM>
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1

$$$$
1-129516
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M  END
>  <Name>
1-129516

>  <Family>
G.1

>  <PC_uM>
0.000220

>  <TG_uM>
0.000294

>  <RL_uM>
0.000266

>  <set>
0

$$$$
1-132483
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-132483

>  <Family>
G.1

>  <PC_uM>
0.005400

>  <TG_uM>
0.010400

>  <RL_uM>
0.015000

>  <set>
1

$$$$
1-184692
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-184692

>  <Family>
G.1

>  <PC_uM>
0.009700

>  <TG_uM>
0.001350

>  <RL_uM>
0.003600

>  <set>
0

$$$$
1-351521
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-351521

>  <Family>
G.1

>  <PC_uM>
0.031000

>  <TG_uM>
N/A

>  <RL_uM>
0.001500

>  <set>
2

$$$$
13-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
13-8

>  <Family>
G.1

>  <PC_uM>
0.051000

>  <TG_uM>
0.030000

>  <RL_uM>
0.044000

>  <set>
1

$$$$
13-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
13-9

>  <Family>
G.1

>  <PC_uM>
0.033000

>  <TG_uM>
0.005200

>  <RL_uM>
0.005900

>  <set>
0

$$$$
13-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 50 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
13-10

>  <Family>
G.1

>  <PC_uM>
0.012000

>  <TG_uM>
0.006400

>  <RL_uM>
0.012000

>  <set>
1

$$$$
13-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
13-11

>  <Family>
G.1

>  <PC_uM>
0.053000

>  <TG_uM>
0.017000

>  <RL_uM>
0.028000

>  <set>
2

$$$$
13-12
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
13-12

>  <Family>
G.1

>  <PC_uM>
12.000000

>  <TG_uM>
0.990000

>  <RL_uM>
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>  <set>
1

$$$$
13-13
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
13-13

>  <Family>
G.1

>  <PC_uM>
26.000000

>  <TG_uM>
1.000000

>  <RL_uM>
1.900000

>  <set>
1

$$$$
13-14
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
13-14

>  <Family>
G.1

>  <PC_uM>
0.033000

>  <TG_uM>
0.007000

>  <RL_uM>
0.006000

>  <set>
1

$$$$
13-15
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
13-15

>  <Family>
G.1

>  <PC_uM>
43.000000

>  <TG_uM>
2.600000

>  <RL_uM>
5.400000

>  <set>
0

$$$$
13-16
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
13-16

>  <Family>
G.1

>  <PC_uM>
95.000000

>  <TG_uM>
14.000000

>  <RL_uM>
19.000000

>  <set>
2

$$$$
13-17
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
13-17

>  <Family>
G.1

>  <PC_uM>
0.170000

>  <TG_uM>
0.016000

>  <RL_uM>
0.038000

>  <set>
0

$$$$
14-28
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
14-28

>  <Family>
G.1

>  <PC_uM>
0.051000

>  <TG_uM>
0.030000

>  <RL_uM>
0.044000

>  <set>
0

$$$$
14-29
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 47 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
14-29

>  <Family>
G.1

>  <PC_uM>
0.033000

>  <TG_uM>
0.005200

>  <RL_uM>
0.005900

>  <set>
0

$$$$
14-30
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 50 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
14-30

>  <Family>
G.1

>  <PC_uM>
0.012000

>  <TG_uM>
0.006400

>  <RL_uM>
0.012000

>  <set>
0

$$$$
9-16a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-16a

>  <Family>
G.1

>  <PC_uM>
0.210000

>  <TG_uM>
0.027000

>  <RL_uM>
0.055000

>  <set>
1

$$$$
9-16b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-16b

>  <Family>
G.1

>  <PC_uM>
0.600000

>  <TG_uM>
0.075000

>  <RL_uM>
0.073000

>  <set>
0

$$$$
9-16c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 38 40  0  0  0  0  0  0  0  0999 V2000
   -5.1544   -0.1166   -1.3140 N   0  0  0  0  0  0
   -5.1250   -1.2916   -0.6869 C   0  0  0  0  0  0
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   -4.0339    0.6223   -1.2979 C   0  0  0  0  0  0
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M  END
>  <Name>
9-16c

>  <Family>
G.1

>  <PC_uM>
0.330000

>  <TG_uM>
0.033000

>  <RL_uM>
0.023000

>  <set>
2

$$$$
15-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 45  0  0  0  0  0  0  0  0999 V2000
   -4.8193    0.4149   -3.2731 N   0  0  0  0  0  0
   -4.6940   -0.8854   -3.5358 C   0  0  0  0  0  0
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   -3.7066    1.0895   -2.9422 C   0  0  0  0  0  0
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M  END
>  <Name>
15-3

>  <Family>
G.1

>  <PC_uM>
4.600000

>  <TG_uM>
0.160000

>  <RL_uM>
1.100000

>  <set>
0

$$$$
15-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 45  0  0  0  0  0  0  0  0999 V2000
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    1.6975    0.6378    3.5596 C   0  0  0  0  0  0
    0.6961    1.2710    2.8219 C   0  0  0  0  0  0
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M  END
>  <Name>
15-4

>  <Family>
G.1

>  <PC_uM>
2.200000

>  <TG_uM>
0.120000

>  <RL_uM>
0.840000

>  <set>
0

$$$$
15-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
15-5

>  <Family>
G.1

>  <PC_uM>
4.400000

>  <TG_uM>
0.170000

>  <RL_uM>
1.200000

>  <set>
1

$$$$
15-2
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
15-2

>  <Family>
G.1

>  <PC_uM>
8.700000

>  <TG_uM>
0.320000

>  <RL_uM>
0.660000

>  <set>
0

$$$$
15-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 47 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
15-6

>  <Family>
G.1

>  <PC_uM>
6.800000

>  <TG_uM>
0.084000

>  <RL_uM>
0.900000

>  <set>
0

$$$$
15-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 47 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
15-7

>  <Family>
G.1

>  <PC_uM>
4.900000

>  <TG_uM>
0.190000

>  <RL_uM>
1.300000

>  <set>
0

$$$$
15-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 47 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
15-8

>  <Family>
G.1

>  <PC_uM>
5.400000

>  <TG_uM>
0.124000

>  <RL_uM>
1.600000

>  <set>
0

$$$$
15-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 47 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
15-9

>  <Family>
G.1

>  <PC_uM>
116.000000

>  <TG_uM>
0.950000

>  <RL_uM>
22.700000

>  <set>
0

$$$$
15-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
15-10

>  <Family>
G.1

>  <PC_uM>
0.720000

>  <TG_uM>
0.099000

>  <RL_uM>
0.190000

>  <set>
0

$$$$
10-1a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
10-1a

>  <Family>
G.1

>  <PC_uM>
2.500000

>  <TG_uM>
0.360000

>  <RL_uM>
0.420000

>  <set>
1

$$$$
10-2a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
10-2a

>  <Family>
G.1

>  <PC_uM>
0.600000

>  <TG_uM>
0.099000

>  <RL_uM>
0.390000

>  <set>
0

$$$$
10-3a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 48 50  0  0  0  0  0  0  0  0999 V2000
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   -1.7513   -3.4854    1.9999 C   0  0  0  0  0  0
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   -1.5249   -0.8302    2.7295 C   0  0  0  0  0  0
    0.9467   -1.0754    3.1964 C   0  0  0  0  0  0
    3.1842    0.9060    1.0817 C   0  0  0  0  0  0
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M  END
>  <Name>
10-3a

>  <Family>
G.1

>  <PC_uM>
0.560000

>  <TG_uM>
0.050000

>  <RL_uM>
0.026000

>  <set>
2

$$$$
10-4a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
   -5.0088   -0.3901    1.6857 N   0  0  0  0  0  0
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M  END
>  <Name>
10-4a

>  <Family>
G.1

>  <PC_uM>
2.400000

>  <TG_uM>
0.220000

>  <RL_uM>
0.420000

>  <set>
1

$$$$
10-5a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 48 50  0  0  0  0  0  0  0  0999 V2000
   -4.6147    0.0111    2.7438 N   0  0  0  0  0  0
   -4.8212   -1.2816    2.4951 C   0  0  0  0  0  0
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M  END
>  <Name>
10-5a

>  <Family>
G.1

>  <PC_uM>
1.400000

>  <TG_uM>
0.140000

>  <RL_uM>
0.500000

>  <set>
0

$$$$
10-6a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
10-6a

>  <Family>
G.1

>  <PC_uM>
0.460000

>  <TG_uM>
0.150000

>  <RL_uM>
0.350000

>  <set>
1

$$$$
16-9a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 47 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
16-9a

>  <Family>
G.1

>  <PC_uM>
0.028000

>  <TG_uM>
0.007800

>  <RL_uM>
0.009800

>  <set>
2

$$$$
16-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 47 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
16-11

>  <Family>
G.1

>  <PC_uM>
0.550000

>  <TG_uM>
0.039000

>  <RL_uM>
0.330000

>  <set>
0

$$$$
15-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
15-11

>  <Family>
G.1

>  <PC_uM>
0.087000

>  <TG_uM>
0.030000

>  <RL_uM>
0.026000

>  <set>
0

$$$$
15-12
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
15-12

>  <Family>
G.1

>  <PC_uM>
0.023800

>  <TG_uM>
0.009300

>  <RL_uM>
0.008200

>  <set>
2

$$$$
15-13
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
15-13

>  <Family>
G.1

>  <PC_uM>
0.100000

>  <TG_uM>
0.039000

>  <RL_uM>
0.043000

>  <set>
0

$$$$
15-14
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 50 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
15-14

>  <Family>
G.1

>  <PC_uM>
0.052000

>  <TG_uM>
0.017000

>  <RL_uM>
0.019000

>  <set>
1

$$$$
15-15
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
15-15

>  <Family>
G.1

>  <PC_uM>
0.017000

>  <TG_uM>
0.021000

>  <RL_uM>
0.017000

>  <set>
0

$$$$
10-7a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
10-7a

>  <Family>
G.1

>  <PC_uM>
0.510000

>  <TG_uM>
0.066000

>  <RL_uM>
0.110000

>  <set>
0

$$$$
10-8a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
10-8a

>  <Family>
G.1

>  <PC_uM>
1.000000

>  <TG_uM>
1.000000

>  <RL_uM>
1.100000

>  <set>
0

$$$$
10-11a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 35 37  0  0  0  0  0  0  0  0999 V2000
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 20 35  1  0  0  0
M  END
>  <Name>
10-11a

>  <Family>
G.1

>  <PC_uM>
0.980000

>  <TG_uM>
0.100000

>  <RL_uM>
0.440000

>  <set>
0

$$$$
10-12a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
10-12a

>  <Family>
G.1

>  <PC_uM>
0.096000

>  <TG_uM>
0.011000

>  <RL_uM>
0.069000

>  <set>
2

$$$$
6-1
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 23 24  0  0  0  0  0  0  0  0999 V2000
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    1.5515   -1.7505   -0.0753 C   0  0  0  0  0  0
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 13 23  1  0  0  0
M  END
>  <Name>
6-1

>  <Family>
G.2

>  <PC_uM>
1.500000

>  <TG_uM>
4.980000

>  <RL_uM>
7.400000

>  <set>
0

$$$$
6-2
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.9435    0.2830    0.2293 N   0  0  0  0  0  0
   -1.8759   -1.0425    0.1819 C   0  0  0  0  0  0
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    0.4012   -1.0413   -0.0146 C   0  0  0  0  0  0
    0.4740    0.3603    0.0347 C   0  0  0  0  0  0
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M  END
>  <Name>
6-2

>  <Family>
G.2

>  <PC_uM>
82.000000

>  <TG_uM>
N/A

>  <RL_uM>
215.000000

>  <set>
1

$$$$
6-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.9015    0.3309   -0.0342 N   0  0  0  0  0  0
   -1.8621   -1.0010   -0.0384 C   0  0  0  0  0  0
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    0.4253   -1.0661   -0.0182 C   0  0  0  0  0  0
    0.5033    0.3287   -0.0071 C   0  0  0  0  0  0
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M  END
>  <Name>
6-3

>  <Family>
G.2

>  <PC_uM>
0.410000

>  <TG_uM>
N/A

>  <RL_uM>
5.000000

>  <set>
1

$$$$
6-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0
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 10 13  1  0  0  0
 11 17  1  0  0  0
 11 18  1  0  0  0
 12 19  1  0  0  0
 12 20  1  0  0  0
M  END
>  <Name>
6-4

>  <Family>
G.2

>  <PC_uM>
0.420000

>  <TG_uM>
N/A

>  <RL_uM>
3.900000

>  <set>
0

$$$$
6-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.9820    0.2785    0.0410 N   0  0  0  0  0  0
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    1.7403    1.0028    0.0015 C   0  0  0  0  0  0
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 11 18  1  0  0  0
 12 19  1  0  0  0
 12 20  1  0  0  0
M  END
>  <Name>
6-5

>  <Family>
G.2

>  <PC_uM>
0.280000

>  <TG_uM>
N/A

>  <RL_uM>
2.300000

>  <set>
0

$$$$
6-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.9882    0.2069    0.0407 N   0  0  0  0  0  0
   -1.8945   -1.1159    0.0093 C   0  0  0  0  0  0
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    0.3920   -1.0740   -0.0249 C   0  0  0  0  0  0
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    1.5688   -1.8102   -0.0596 C   0  0  0  0  0  0
    2.8236   -1.2077   -0.0652 C   0  0  0  0  0  0
    2.9134    0.1733   -0.0353 C   0  0  0  0  0  0
    1.7445    0.9447    0.0000 C   0  0  0  0  0  0
   -1.0462    2.2910    0.0732 N   0  0  0  0  0  0
   -3.0456   -1.8403    0.0107 N   0  0  0  0  0  0
    2.0895    3.0302    0.0418 I   0  0  0  0  0  0
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    3.7239   -1.8182   -0.0928 H   0  0  0  0  0  0
    3.8998    0.6338   -0.0400 H   0  0  0  0  0  0
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   -0.6808    2.7730   -0.7470 H   0  0  0  0  0  0
   -3.0032   -2.8484   -0.0127 H   0  0  0  0  0  0
   -3.9356   -1.3649    0.0351 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
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  9 16  1  0  0  0
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 12 19  1  0  0  0
 12 20  1  0  0  0
M  END
>  <Name>
6-6

>  <Family>
G.2

>  <PC_uM>
0.520000

>  <TG_uM>
N/A

>  <RL_uM>
2.400000

>  <set>
0

$$$$
6-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 24 25  0  0  0  0  0  0  0  0999 V2000
   -2.0446   -0.2578   -0.5980 N   0  0  0  0  0  0
   -1.9430   -1.5717   -0.7738 C   0  0  0  0  0  0
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    0.3356   -1.5511   -0.5753 C   0  0  0  0  0  0
    0.3689   -0.1629   -0.3869 C   0  0  0  0  0  0
   -0.9064    0.4350   -0.4162 C   0  0  0  0  0  0
    1.5265   -2.2624   -0.5638 C   0  0  0  0  0  0
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    2.8134   -0.2615   -0.1929 C   0  0  0  0  0  0
    1.6348    0.4886   -0.1989 C   0  0  0  0  0  0
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    1.6104    1.8555   -0.0498 O   0  0  0  0  0  0
    2.8490    2.5211    0.1906 C   0  0  0  0  0  0
    1.5043   -3.3421   -0.7076 H   0  0  0  0  0  0
    3.6723   -2.2274   -0.3710 H   0  0  0  0  0  0
    3.7918    0.1905   -0.0559 H   0  0  0  0  0  0
   -0.3402    2.4217   -0.3956 H   0  0  0  0  0  0
   -2.0447    2.1374   -0.2504 H   0  0  0  0  0  0
   -3.0427   -3.2785   -1.1035 H   0  0  0  0  0  0
   -3.9767   -1.8007   -0.9773 H   0  0  0  0  0  0
    2.6338    3.5869    0.3136 H   0  0  0  0  0  0
    3.5242    2.4145   -0.6645 H   0  0  0  0  0  0
    3.3146    2.1664    1.1159 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
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  5  6  2  0  0  0
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  6 11  1  0  0  0
  7  8  2  0  0  0
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  8 16  1  0  0  0
  9 10  2  0  0  0
  9 17  1  0  0  0
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 12 21  1  0  0  0
 13 14  1  0  0  0
 14 22  1  0  0  0
 14 23  1  0  0  0
 14 24  1  0  0  0
M  END
>  <Name>
6-7

>  <Family>
G.2

>  <PC_uM>
4.500000

>  <TG_uM>
0.480000

>  <RL_uM>
1.200000

>  <set>
0

$$$$
6-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 27 28  0  0  0  0  0  0  0  0999 V2000
   -2.0477   -0.7003   -0.6974 N   0  0  0  0  0  0
   -1.9443   -2.0184   -0.8372 C   0  0  0  0  0  0
   -0.7971   -2.6905   -0.7860 N   0  0  0  0  0  0
    0.3281   -1.9965   -0.5765 C   0  0  0  0  0  0
    0.3570   -0.6062   -0.4038 C   0  0  0  0  0  0
   -0.9163   -0.0078   -0.4765 C   0  0  0  0  0  0
    1.5189   -2.7066   -0.5317 C   0  0  0  0  0  0
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    2.7942   -0.7031   -0.1351 C   0  0  0  0  0  0
    1.6154    0.0456   -0.1730 C   0  0  0  0  0  0
   -1.0965    1.3590   -0.4060 N   0  0  0  0  0  0
   -3.0848   -2.7283   -1.0507 N   0  0  0  0  0  0
    1.5787    1.4061    0.0210 O   0  0  0  0  0  0
    2.8197    2.0947    0.2000 C   0  0  0  0  0  0
    2.5116    3.5738    0.3469 C   0  0  0  0  0  0
    1.5009   -3.7874   -0.6678 H   0  0  0  0  0  0
    3.6593   -2.6683   -0.2870 H   0  0  0  0  0  0
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   -0.4088    1.9100    0.0995 H   0  0  0  0  0  0
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   -3.0375   -3.7303   -1.1624 H   0  0  0  0  0  0
   -3.9713   -2.2484   -1.0974 H   0  0  0  0  0  0
    3.4655    1.9486   -0.6734 H   0  0  0  0  0  0
    3.3206    1.7418    1.1085 H   0  0  0  0  0  0
    3.4294    4.1514    0.4884 H   0  0  0  0  0  0
    1.8493    3.7465    1.2017 H   0  0  0  0  0  0
    1.9905    3.9488   -0.5403 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
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 11 19  1  0  0  0
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 12 21  1  0  0  0
 12 22  1  0  0  0
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 14 15  1  0  0  0
 14 23  1  0  0  0
 14 24  1  0  0  0
 15 25  1  0  0  0
 15 26  1  0  0  0
 15 27  1  0  0  0
M  END
>  <Name>
6-8

>  <Family>
G.2

>  <PC_uM>
4.700000

>  <TG_uM>
8.700000

>  <RL_uM>
11.000000

>  <set>
1

$$$$
6-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 30 31  0  0  0  0  0  0  0  0999 V2000
   -2.1843   -1.3906   -1.4041 N   0  0  0  0  0  0
   -2.0524   -2.6998   -1.5946 C   0  0  0  0  0  0
   -0.8994   -3.3581   -1.5084 N   0  0  0  0  0  0
    0.2012   -2.6594   -1.2052 C   0  0  0  0  0  0
    0.1983   -1.2782   -0.9692 C   0  0  0  0  0  0
   -1.0780   -0.6938   -1.0894 C   0  0  0  0  0  0
    1.3987   -3.3549   -1.1253 C   0  0  0  0  0  0
    2.6004   -2.7214   -0.8139 C   0  0  0  0  0  0
    2.6179   -1.3548   -0.5669 C   0  0  0  0  0  0
    1.4309   -0.6215   -0.6358 C   0  0  0  0  0  0
   -1.2822    0.6665   -0.9722 N   0  0  0  0  0  0
   -3.1681   -3.4151   -1.9012 N   0  0  0  0  0  0
    1.3607    0.7280   -0.3823 O   0  0  0  0  0  0
    2.5697    1.4159   -0.0443 C   0  0  0  0  0  0
    2.2175    2.8829    0.1832 C   0  0  0  0  0  0
    3.4370    3.7069    0.5550 C   0  0  0  0  0  0
    1.4052   -4.4284   -1.3112 H   0  0  0  0  0  0
    3.5218   -3.2988   -0.7607 H   0  0  0  0  0  0
    3.5724   -0.8981   -0.3207 H   0  0  0  0  0  0
   -0.6314    1.2046   -0.4075 H   0  0  0  0  0  0
   -2.2351    1.0046   -1.0396 H   0  0  0  0  0  0
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   -4.0586   -2.9457   -1.9744 H   0  0  0  0  0  0
    3.2896    1.3363   -0.8675 H   0  0  0  0  0  0
    2.9955    0.9962    0.8747 H   0  0  0  0  0  0
    1.4605    2.9605    0.9729 H   0  0  0  0  0  0
    1.7522    3.2933   -0.7211 H   0  0  0  0  0  0
    3.1545    4.7525    0.7126 H   0  0  0  0  0  0
    4.1897    3.6739   -0.2391 H   0  0  0  0  0  0
    3.8942    3.3362    1.4779 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7 17  1  0  0  0
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  8 18  1  0  0  0
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 12 22  1  0  0  0
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 14 25  1  0  0  0
 15 16  1  0  0  0
 15 26  1  0  0  0
 15 27  1  0  0  0
 16 28  1  0  0  0
 16 29  1  0  0  0
 16 30  1  0  0  0
M  END
>  <Name>
6-9

>  <Family>
G.2

>  <PC_uM>
0.960000

>  <TG_uM>
0.150000

>  <RL_uM>
0.120000

>  <set>
1

$$$$
6-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 27 28  0  0  0  0  0  0  0  0999 V2000
   -2.0549   -0.7249   -0.7448 N   0  0  0  0  0  0
   -1.9467   -2.0404   -0.9019 C   0  0  0  0  0  0
   -0.7996   -2.7111   -0.8373 N   0  0  0  0  0  0
    0.3203   -2.0180   -0.5989 C   0  0  0  0  0  0
    0.3449   -0.6297   -0.4084 C   0  0  0  0  0  0
   -0.9294   -0.0342   -0.4910 C   0  0  0  0  0  0
    1.5102   -2.7283   -0.5416 C   0  0  0  0  0  0
    2.7314   -2.1031   -0.2977 C   0  0  0  0  0  0
    2.7782   -0.7289   -0.1024 C   0  0  0  0  0  0
    1.6006    0.0209   -0.1554 C   0  0  0  0  0  0
   -1.1177    1.3309   -0.3935 N   0  0  0  0  0  0
   -3.0816   -2.7489   -1.1476 N   0  0  0  0  0  0
    1.5646    1.3813    0.0454 O   0  0  0  0  0  0
    2.8180    2.0802    0.1690 C   0  0  0  0  0  0
    2.5815    3.5791    0.2726 C   0  0  0  0  0  0
    1.9629    4.0753   -0.8294 F   0  0  0  0  0  0
    3.7490    4.2605    0.4094 F   0  0  0  0  0  0
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    1.4950   -3.8074   -0.6901 H   0  0  0  0  0  0
    3.6455   -2.6931   -0.2570 H   0  0  0  0  0  0
    3.7486   -0.2821    0.0945 H   0  0  0  0  0  0
   -0.4770    1.8600    0.1890 H   0  0  0  0  0  0
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   -3.0305   -3.7491   -1.2721 H   0  0  0  0  0  0
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    3.4407    1.8870   -0.7119 H   0  0  0  0  0  0
    3.3348    1.7457    1.0754 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7 19  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  9 10  2  0  0  0
  9 21  1  0  0  0
 10 13  1  0  0  0
 11 22  1  0  0  0
 11 23  1  0  0  0
 12 24  1  0  0  0
 12 25  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 14 27  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 15 18  1  0  0  0
M  END
>  <Name>
6-10

>  <Family>
G.2

>  <PC_uM>
13.000000

>  <TG_uM>
N/A

>  <RL_uM>
0.140000

>  <set>
1

$$$$
6-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 30 31  0  0  0  0  0  0  0  0999 V2000
   -2.2713   -1.4786   -1.5067 N   0  0  0  0  0  0
   -2.1315   -2.7866   -1.6975 C   0  0  0  0  0  0
   -0.9800   -3.4422   -1.5797 N   0  0  0  0  0  0
    0.1099   -2.7414   -1.2447 C   0  0  0  0  0  0
    0.0986   -1.3602   -1.0067 C   0  0  0  0  0  0
   -1.1764   -0.7802   -1.1573 C   0  0  0  0  0  0
    1.3052   -3.4357   -1.1322 C   0  0  0  0  0  0
    2.4971   -2.8015   -0.7875 C   0  0  0  0  0  0
    2.5077   -1.4344   -0.5421 C   0  0  0  0  0  0
    1.3230   -0.7012   -0.6445 C   0  0  0  0  0  0
   -1.3916    0.5785   -1.0343 N   0  0  0  0  0  0
   -3.2361   -3.5036   -2.0384 N   0  0  0  0  0  0
    1.2489    0.6502   -0.3966 O   0  0  0  0  0  0
    2.4693    1.3556   -0.0893 C   0  0  0  0  0  0
    2.1645    2.8379    0.0948 C   0  0  0  0  0  0
    3.4320    3.6120    0.4328 C   0  0  0  0  0  0
    1.2241    2.9935    1.0798 F   0  0  0  0  0  0
    1.5844    3.3323   -1.0440 F   0  0  0  0  0  0
    4.3766    3.5139   -0.5422 F   0  0  0  0  0  0
    4.0149    3.1779    1.5835 F   0  0  0  0  0  0
    3.1873    4.9418    0.6014 F   0  0  0  0  0  0
    1.3181   -4.5092   -1.3178 H   0  0  0  0  0  0
    3.4166   -3.3788   -0.7076 H   0  0  0  0  0  0
    3.4560   -0.9803   -0.2693 H   0  0  0  0  0  0
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   -4.1258   -3.0367   -2.1336 H   0  0  0  0  0  0
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  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  2  0  0  0
  9 24  1  0  0  0
 10 13  1  0  0  0
 11 25  1  0  0  0
 11 26  1  0  0  0
 12 27  1  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 15 18  1  0  0  0
 16 19  1  0  0  0
 16 20  1  0  0  0
 16 21  1  0  0  0
M  END
>  <Name>
6-11

>  <Family>
G.2

>  <PC_uM>
54.000000

>  <TG_uM>
N/A

>  <RL_uM>
0.410000

>  <set>
2

$$$$
6-12
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 33 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
6-12

>  <Family>
G.2

>  <PC_uM>
71.000000

>  <TG_uM>
N/A

>  <RL_uM>
6.100000

>  <set>
0

$$$$
6-13
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 24 25  0  0  0  0  0  0  0  0999 V2000
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    1.5632   -2.2815   -0.8469 C   0  0  0  0  0  0
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    1.7475    0.4853   -0.8183 C   0  0  0  0  0  0
   -1.0121    1.8402   -0.7119 N   0  0  0  0  0  0
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    1.5070   -3.3698   -0.8573 H   0  0  0  0  0  0
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M  END
>  <Name>
6-13

>  <Family>
G.2

>  <PC_uM>
1.100000

>  <TG_uM>
N/A

>  <RL_uM>
0.540000

>  <set>
2

$$$$
6-14
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 23 24  0  0  0  0  0  0  0  0999 V2000
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   -2.4640   -1.0020   -0.0388 C   0  0  0  0  0  0
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    1.0102   -1.7771    0.0047 C   0  0  0  0  0  0
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M  END
>  <Name>
6-14

>  <Family>
G.2

>  <PC_uM>
20.000000

>  <TG_uM>
N/A

>  <RL_uM>
55.000000

>  <set>
1

$$$$
6-15
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 23 24  0  0  0  0  0  0  0  0999 V2000
   -2.6008    0.3246   -0.0643 N   0  0  0  0  0  0
   -2.5535   -1.0072   -0.0615 C   0  0  0  0  0  0
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   -0.2670   -1.0617   -0.0195 C   0  0  0  0  0  0
   -0.1938    0.3338   -0.0198 C   0  0  0  0  0  0
   -1.4330    0.9852   -0.0231 C   0  0  0  0  0  0
    0.9206   -1.7839   -0.0077 C   0  0  0  0  0  0
    2.1738   -1.1572   -0.0026 C   0  0  0  0  0  0
    2.2664    0.2355   -0.0115 C   0  0  0  0  0  0
    1.0753    0.9748   -0.0206 C   0  0  0  0  0  0
   -1.5374    2.3653   -0.0520 N   0  0  0  0  0  0
   -3.7334   -1.6842   -0.0887 N   0  0  0  0  0  0
    3.5996    0.9406   -0.0131 C   0  0  0  0  0  0
    3.7695    1.7578    1.0704 F   0  0  0  0  0  0
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M  END
>  <Name>
6-15

>  <Family>
G.2

>  <PC_uM>
2.700000

>  <TG_uM>
3.100000

>  <RL_uM>
4.100000

>  <set>
0

$$$$
6-16
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.9914    0.3358   -0.0484 N   0  0  0  0  0  0
   -1.9548   -0.9966   -0.0434 C   0  0  0  0  0  0
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    0.3310   -1.0711   -0.0110 C   0  0  0  0  0  0
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    1.5133   -1.8057   -0.0027 C   0  0  0  0  0  0
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    2.8387    0.1954   -0.0133 C   0  0  0  0  0  0
    1.6813    0.9596   -0.0196 C   0  0  0  0  0  0
   -0.9125    2.3685   -0.0470 N   0  0  0  0  0  0
   -3.1403   -1.6639   -0.0641 N   0  0  0  0  0  0
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    1.4642   -2.8935    0.0014 H   0  0  0  0  0  0
    3.6757   -1.7813    0.0025 H   0  0  0  0  0  0
    1.7691    2.0420   -0.0337 H   0  0  0  0  0  0
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M  END
>  <Name>
6-16

>  <Family>
G.2

>  <PC_uM>
119.000000

>  <TG_uM>
104.000000

>  <RL_uM>
452.000000

>  <set>
1

$$$$
6-17
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.1640    0.3351   -0.0489 N   0  0  0  0  0  0
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    0.1597   -1.0682   -0.0107 C   0  0  0  0  0  0
    0.2415    0.3286   -0.0140 C   0  0  0  0  0  0
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    1.3418   -1.8006   -0.0021 C   0  0  0  0  0  0
    2.5965   -1.1813   -0.0025 C   0  0  0  0  0  0
    2.6756    0.2039   -0.0138 C   0  0  0  0  0  0
    1.5105    0.9632   -0.0204 C   0  0  0  0  0  0
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    1.2937   -2.8886    0.0024 H   0  0  0  0  0  0
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 12 19  1  0  0  0
 12 20  1  0  0  0
M  END
>  <Name>
6-17

>  <Family>
G.2

>  <PC_uM>
3.600000

>  <TG_uM>
14.000000

>  <RL_uM>
29.000000

>  <set>
0

$$$$
6-18
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 20 21  0  0  0  0  0  0  0  0999 V2000
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   -2.1961   -0.9974   -0.0439 C   0  0  0  0  0  0
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    0.0898   -1.0671   -0.0110 C   0  0  0  0  0  0
    0.1709    0.3296   -0.0142 C   0  0  0  0  0  0
   -1.0631    0.9887   -0.0140 C   0  0  0  0  0  0
    1.2722   -1.7991   -0.0022 C   0  0  0  0  0  0
    2.5271   -1.1806   -0.0023 C   0  0  0  0  0  0
    2.6052    0.2047   -0.0137 C   0  0  0  0  0  0
    1.4400    0.9645   -0.0206 C   0  0  0  0  0  0
   -1.1602    2.3690   -0.0459 N   0  0  0  0  0  0
   -3.3804   -1.6669   -0.0648 N   0  0  0  0  0  0
    4.2914    1.0562   -0.0210 Br  0  0  0  0  0  0
    1.2238   -2.8872    0.0025 H   0  0  0  0  0  0
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  1  2  2  0  0  0
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  9 13  1  0  0  0
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 11 18  1  0  0  0
 12 19  1  0  0  0
 12 20  1  0  0  0
M  END
>  <Name>
6-18

>  <Family>
G.2

>  <PC_uM>
1.600000

>  <TG_uM>
N/A

>  <RL_uM>
14.000000

>  <set>
0

$$$$
6-19
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.3481    0.3350   -0.0490 N   0  0  0  0  0  0
   -2.3078   -0.9970   -0.0440 C   0  0  0  0  0  0
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    0.0581    0.3326   -0.0142 C   0  0  0  0  0  0
   -1.1770    0.9903   -0.0139 C   0  0  0  0  0  0
    1.1611   -1.7943   -0.0020 C   0  0  0  0  0  0
    2.4160   -1.1750   -0.0022 C   0  0  0  0  0  0
    2.4946    0.2110   -0.0138 C   0  0  0  0  0  0
    1.3270    0.9690   -0.0207 C   0  0  0  0  0  0
   -1.2759    2.3705   -0.0455 N   0  0  0  0  0  0
   -3.4913   -1.6678   -0.0651 N   0  0  0  0  0  0
    4.3468    1.1478   -0.0222 I   0  0  0  0  0  0
    1.1137   -2.8824    0.0027 H   0  0  0  0  0  0
    3.3114   -1.7930    0.0037 H   0  0  0  0  0  0
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   -4.3584   -1.1516   -0.0840 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
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  5  6  2  0  0  0
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  9 13  1  0  0  0
 10 16  1  0  0  0
 11 17  1  0  0  0
 11 18  1  0  0  0
 12 19  1  0  0  0
 12 20  1  0  0  0
M  END
>  <Name>
6-19

>  <Family>
G.2

>  <PC_uM>
1.600000

>  <TG_uM>
1.600000

>  <RL_uM>
5.900000

>  <set>
0

$$$$
6-20
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 24 25  0  0  0  0  0  0  0  0999 V2000
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   -0.1735    0.2532    0.3915 C   0  0  0  0  0  0
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    0.8971   -1.8774    0.5716 C   0  0  0  0  0  0
    2.1529   -1.2838    0.4022 C   0  0  0  0  0  0
    2.2634    0.0905    0.2190 C   0  0  0  0  0  0
    1.1018    0.8586    0.2124 C   0  0  0  0  0  0
   -1.4821    2.3014    0.2226 N   0  0  0  0  0  0
   -3.7427   -1.6624    0.8461 N   0  0  0  0  0  0
    3.5392    0.5514    0.0592 O   0  0  0  0  0  0
    3.6980    1.9572   -0.1271 C   0  0  0  0  0  0
    0.8405   -2.9562    0.7084 H   0  0  0  0  0  0
    3.0437   -1.9096    0.4122 H   0  0  0  0  0  0
    1.1484    1.9336    0.0641 H   0  0  0  0  0  0
   -0.7852    2.8918    0.6650 H   0  0  0  0  0  0
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    4.7679    2.1596   -0.2341 H   0  0  0  0  0  0
    3.3379    2.5125    0.7452 H   0  0  0  0  0  0
    3.2012    2.2905   -1.0442 H   0  0  0  0  0  0
  1  2  2  0  0  0
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  2  3  1  0  0  0
  2 12  1  0  0  0
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  9 13  1  0  0  0
 10 17  1  0  0  0
 11 18  1  0  0  0
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 12 21  1  0  0  0
 13 14  1  0  0  0
 14 22  1  0  0  0
 14 23  1  0  0  0
 14 24  1  0  0  0
M  END
>  <Name>
6-20

>  <Family>
G.2

>  <PC_uM>
58.000000

>  <TG_uM>
22.000000

>  <RL_uM>
46.000000

>  <set>
1

$$$$
6-21
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 23 24  0  0  0  0  0  0  0  0999 V2000
   -2.3652    0.3484   -0.0251 N   0  0  0  0  0  0
   -2.3148   -0.9831   -0.0502 C   0  0  0  0  0  0
   -1.1901   -1.6991   -0.0342 N   0  0  0  0  0  0
   -0.0277   -1.0350    0.0005 C   0  0  0  0  0  0
    0.0407    0.3604    0.0284 C   0  0  0  0  0  0
   -1.1989    1.0105    0.0332 C   0  0  0  0  0  0
    1.1616   -1.7577    0.0032 C   0  0  0  0  0  0
    2.4197   -1.1353    0.0383 C   0  0  0  0  0  0
    2.4827    0.2563    0.0438 C   0  0  0  0  0  0
    1.3049    1.0013    0.0434 C   0  0  0  0  0  0
   -1.3062    2.3905    0.0295 N   0  0  0  0  0  0
   -3.4932   -1.6618   -0.0960 N   0  0  0  0  0  0
    3.6744   -1.9576    0.0052 C   0  0  0  0  0  0
    1.1072   -2.8461   -0.0240 H   0  0  0  0  0  0
    3.4428    0.7708    0.0484 H   0  0  0  0  0  0
    1.3736    2.0877    0.0473 H   0  0  0  0  0  0
   -0.6538    2.9253    0.5940 H   0  0  0  0  0  0
   -2.2570    2.7483    0.0303 H   0  0  0  0  0  0
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    4.4973   -1.4359    0.5051 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7 14  1  0  0  0
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 12 20  1  0  0  0
 13 21  1  0  0  0
 13 22  1  0  0  0
 13 23  1  0  0  0
M  END
>  <Name>
6-21

>  <Family>
G.2

>  <PC_uM>
65.000000

>  <TG_uM>
81.000000

>  <RL_uM>
42.000000

>  <set>
0

$$$$
6-22
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 23 24  0  0  0  0  0  0  0  0999 V2000
   -2.4289    0.4541   -0.0500 N   0  0  0  0  0  0
   -2.3731   -0.8769   -0.0885 C   0  0  0  0  0  0
   -1.2454   -1.5885   -0.0722 N   0  0  0  0  0  0
   -0.0869   -0.9204   -0.0229 C   0  0  0  0  0  0
   -0.0238    0.4748    0.0203 C   0  0  0  0  0  0
   -1.2659    1.1203    0.0234 C   0  0  0  0  0  0
    1.1037   -1.6405   -0.0198 C   0  0  0  0  0  0
    2.3640   -1.0172    0.0265 C   0  0  0  0  0  0
    2.4188    0.3777    0.0523 C   0  0  0  0  0  0
    1.2380    1.1197    0.0520 C   0  0  0  0  0  0
   -1.3780    2.4998    0.0335 N   0  0  0  0  0  0
   -3.5482   -1.5599   -0.1495 N   0  0  0  0  0  0
    3.6230   -1.8450    0.0046 C   0  0  0  0  0  0
    4.7068   -1.2144    0.5514 F   0  0  0  0  0  0
    4.0036   -2.1937   -1.2614 F   0  0  0  0  0  0
    3.5102   -3.0236    0.6900 F   0  0  0  0  0  0
    1.0520   -2.7293   -0.0563 H   0  0  0  0  0  0
    3.3771    0.8958    0.0725 H   0  0  0  0  0  0
    1.3031    2.2063    0.0700 H   0  0  0  0  0  0
   -0.7316    3.0311    0.6080 H   0  0  0  0  0  0
   -2.3300    2.8543    0.0312 H   0  0  0  0  0  0
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   -4.4210   -1.0533   -0.1645 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
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  8 13  1  0  0  0
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 10 19  1  0  0  0
 11 20  1  0  0  0
 11 21  1  0  0  0
 12 22  1  0  0  0
 12 23  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 13 16  1  0  0  0
M  END
>  <Name>
6-22

>  <Family>
G.2

>  <PC_uM>
31.000000

>  <TG_uM>
N/A

>  <RL_uM>
63.000000

>  <set>
0

$$$$
6-23
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.9913    0.3358   -0.0479 N   0  0  0  0  0  0
   -1.9535   -0.9964   -0.0434 C   0  0  0  0  0  0
   -0.8351   -1.7224   -0.0209 N   0  0  0  0  0  0
    0.3335   -1.0692   -0.0118 C   0  0  0  0  0  0
    0.4148    0.3288   -0.0144 C   0  0  0  0  0  0
   -0.8193    0.9892   -0.0137 C   0  0  0  0  0  0
    1.5106   -1.8048   -0.0037 C   0  0  0  0  0  0
    2.7521   -1.1765   -0.0038 C   0  0  0  0  0  0
    2.8529    0.2041   -0.0137 C   0  0  0  0  0  0
    1.6855    0.9617   -0.0200 C   0  0  0  0  0  0
   -0.9146    2.3695   -0.0466 N   0  0  0  0  0  0
   -3.1382   -1.6650   -0.0636 N   0  0  0  0  0  0
    3.8669   -1.9198    0.0026 F   0  0  0  0  0  0
    1.4711   -2.8906    0.0001 H   0  0  0  0  0  0
    3.8276    0.6830   -0.0175 H   0  0  0  0  0  0
    1.7642    2.0470   -0.0339 H   0  0  0  0  0  0
   -0.2542    2.9114    0.5016 H   0  0  0  0  0  0
   -1.8623    2.7355   -0.0468 H   0  0  0  0  0  0
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   -4.0044   -1.1473   -0.0813 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
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  5  6  2  0  0  0
  5 10  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7 14  1  0  0  0
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  8 13  1  0  0  0
  9 10  2  0  0  0
  9 15  1  0  0  0
 10 16  1  0  0  0
 11 17  1  0  0  0
 11 18  1  0  0  0
 12 19  1  0  0  0
 12 20  1  0  0  0
M  END
>  <Name>
6-23

>  <Family>
G.2

>  <PC_uM>
41.000000

>  <TG_uM>
N/A

>  <RL_uM>
189.000000

>  <set>
0

$$$$
6-24
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.1630    0.3348   -0.0474 N   0  0  0  0  0  0
   -2.1237   -0.9973   -0.0433 C   0  0  0  0  0  0
   -1.0044   -1.7219   -0.0217 N   0  0  0  0  0  0
    0.1638   -1.0679   -0.0128 C   0  0  0  0  0  0
    0.2430    0.3291   -0.0149 C   0  0  0  0  0  0
   -0.9915    0.9889   -0.0134 C   0  0  0  0  0  0
    1.3422   -1.8037   -0.0055 C   0  0  0  0  0  0
    2.5897   -1.1789   -0.0056 C   0  0  0  0  0  0
    2.6819    0.2058   -0.0150 C   0  0  0  0  0  0
    1.5122    0.9619   -0.0206 C   0  0  0  0  0  0
   -1.0878    2.3692   -0.0458 N   0  0  0  0  0  0
   -3.3077   -1.6673   -0.0632 N   0  0  0  0  0  0
    4.0236   -2.1316    0.0023 Cl  0  0  0  0  0  0
    1.2850   -2.8900   -0.0020 H   0  0  0  0  0  0
    3.6489    0.7029   -0.0189 H   0  0  0  0  0  0
    1.5902    2.0474   -0.0341 H   0  0  0  0  0  0
   -0.4275    2.9113    0.5022 H   0  0  0  0  0  0
   -2.0358    2.7344   -0.0454 H   0  0  0  0  0  0
   -3.3119   -2.6765   -0.0612 H   0  0  0  0  0  0
   -4.1745   -1.1505   -0.0800 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6 11  1  0  0  0
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  7 14  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 10  2  0  0  0
  9 15  1  0  0  0
 10 16  1  0  0  0
 11 17  1  0  0  0
 11 18  1  0  0  0
 12 19  1  0  0  0
 12 20  1  0  0  0
M  END
>  <Name>
6-24

>  <Family>
G.2

>  <PC_uM>
45.000000

>  <TG_uM>
N/A

>  <RL_uM>
53.000000

>  <set>
0

$$$$
6-25
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.2333    0.3343   -0.0471 N   0  0  0  0  0  0
   -2.1936   -0.9977   -0.0432 C   0  0  0  0  0  0
   -1.0741   -1.7220   -0.0219 N   0  0  0  0  0  0
    0.0938   -1.0675   -0.0131 C   0  0  0  0  0  0
    0.1728    0.3294   -0.0150 C   0  0  0  0  0  0
   -1.0619    0.9888   -0.0132 C   0  0  0  0  0  0
    1.2730   -1.8027   -0.0061 C   0  0  0  0  0  0
    2.5207   -1.1767   -0.0063 C   0  0  0  0  0  0
    2.6127    0.2080   -0.0155 C   0  0  0  0  0  0
    1.4419    0.9625   -0.0210 C   0  0  0  0  0  0
   -1.1588    2.3690   -0.0454 N   0  0  0  0  0  0
   -3.3774   -1.6680   -0.0631 N   0  0  0  0  0  0
    4.0959   -2.2227    0.0020 Br  0  0  0  0  0  0
    1.2128   -2.8891   -0.0027 H   0  0  0  0  0  0
    3.5778    0.7092   -0.0196 H   0  0  0  0  0  0
    1.5189    2.0481   -0.0343 H   0  0  0  0  0  0
   -0.4985    2.9112    0.5026 H   0  0  0  0  0  0
   -2.1069    2.7339   -0.0446 H   0  0  0  0  0  0
   -3.3813   -2.6772   -0.0612 H   0  0  0  0  0  0
   -4.2443   -1.1515   -0.0797 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7 14  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 10  2  0  0  0
  9 15  1  0  0  0
 10 16  1  0  0  0
 11 17  1  0  0  0
 11 18  1  0  0  0
 12 19  1  0  0  0
 12 20  1  0  0  0
M  END
>  <Name>
6-25

>  <Family>
G.2

>  <PC_uM>
12.000000

>  <TG_uM>
N/A

>  <RL_uM>
19.000000

>  <set>
0

$$$$
6-26
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.1830    0.3239   -0.0317 N   0  0  0  0  0  0
   -2.1232   -1.0022   -0.0353 C   0  0  0  0  0  0
   -0.9899   -1.6955   -0.0297 N   0  0  0  0  0  0
    0.1626   -1.0181   -0.0190 C   0  0  0  0  0  0
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   -3.2765   -2.7052   -0.0545 H   0  0  0  0  0  0
   -4.1701   -1.1973   -0.0563 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
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  5  6  2  0  0  0
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 12 20  1  0  0  0
M  END
>  <Name>
6-26

>  <Family>
G.2

>  <PC_uM>
9.700000

>  <TG_uM>
N/A

>  <RL_uM>
3.500000

>  <set>
2

$$$$
6-27
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.2547    0.3228   -0.0315 N   0  0  0  0  0  0
   -2.1929   -1.0030   -0.0352 C   0  0  0  0  0  0
   -1.0586   -1.6945   -0.0298 N   0  0  0  0  0  0
    0.0929   -1.0152   -0.0192 C   0  0  0  0  0  0
    0.1750    0.3851   -0.0055 C   0  0  0  0  0  0
   -1.0943    1.0040   -0.0056 C   0  0  0  0  0  0
    1.2556   -1.7704   -0.0246 C   0  0  0  0  0  0
    2.5205   -1.1864   -0.0164 C   0  0  0  0  0  0
    2.6378    0.1969    0.0023 C   0  0  0  0  0  0
    1.4804    0.9924    0.0106 C   0  0  0  0  0  0
   -1.2676    2.3703   -0.0623 N   0  0  0  0  0  0
   -3.3614   -1.6986   -0.0493 N   0  0  0  0  0  0
    1.6579    2.7259    0.0618 Cl  0  0  0  0  0  0
    4.4034    0.9071    0.0191 Br  0  0  0  0  0  0
    1.1847   -2.8579   -0.0368 H   0  0  0  0  0  0
    3.3998   -1.8271   -0.0223 H   0  0  0  0  0  0
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M  END
>  <Name>
6-27

>  <Family>
G.2

>  <PC_uM>
0.140000

>  <TG_uM>
N/A

>  <RL_uM>
0.800000

>  <set>
0

$$$$
6-28
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 26 27  0  0  0  0  0  0  0  0999 V2000
   -2.5047    0.3409    0.0078 N   0  0  0  0  0  0
   -2.4472   -0.9897   -0.0314 C   0  0  0  0  0  0
   -1.3180   -1.6984   -0.0402 N   0  0  0  0  0  0
   -0.1592   -1.0272   -0.0179 C   0  0  0  0  0  0
   -0.0974    0.3657    0.0240 C   0  0  0  0  0  0
   -1.3410    1.0084    0.0552 C   0  0  0  0  0  0
    1.0338   -1.7413   -0.0418 C   0  0  0  0  0  0
    2.2948   -1.1168   -0.0307 C   0  0  0  0  0  0
    2.3616    0.2833    0.0031 C   0  0  0  0  0  0
    1.1652    1.0128    0.0291 C   0  0  0  0  0  0
   -1.4566    2.3879    0.0697 N   0  0  0  0  0  0
   -3.6221   -1.6751   -0.0656 N   0  0  0  0  0  0
    3.6773    1.0126    0.0098 C   0  0  0  0  0  0
    3.5379   -1.9646   -0.0600 C   0  0  0  0  0  0
    0.9786   -2.8298   -0.0726 H   0  0  0  0  0  0
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    4.1444   -1.7808    0.8324 H   0  0  0  0  0  0
  1  2  2  0  0  0
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M  END
>  <Name>
6-28

>  <Family>
G.2

>  <PC_uM>
5.300000

>  <TG_uM>
7.700000

>  <RL_uM>
7.900000

>  <set>
0

$$$$
17-16
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 32 34  0  0  0  0  0  0  0  0999 V2000
   -2.1289   -2.9817   -0.0035 N   0  0  0  0  0  0
   -1.9206   -4.2931   -0.0098 C   0  0  0  0  0  0
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    0.3545   -4.0582    0.0048 C   0  0  0  0  0  0
    0.2786   -2.6568    0.0123 C   0  0  0  0  0  0
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    1.5975   -4.6777    0.0084 C   0  0  0  0  0  0
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    2.7418   -2.5698    0.0269 C   0  0  0  0  0  0
    1.5059   -1.9116    0.0236 C   0  0  0  0  0  0
   -1.3634   -0.8210    0.0132 N   0  0  0  0  0  0
   -3.0059   -5.1130   -0.0208 N   0  0  0  0  0  0
    1.5532   -0.4768    0.0322 C   0  0  0  0  0  0
    1.6291    0.7227    0.0398 C   0  0  0  0  0  0
    1.7228    2.1500    0.0491 C   0  0  0  0  0  0
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    2.9752    2.7690    0.0644 C   0  0  0  0  0  0
    1.6492   -5.7663    0.0026 H   0  0  0  0  0  0
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  7 21  1  0  0  0
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 19 20  2  0  0  0
 19 31  1  0  0  0
 20 32  1  0  0  0
M  END
>  <Name>
17-16

>  <Family>
G.2

>  <PC_uM>
>30

>  <TG_uM>
>30

>  <RL_uM>
>30

>  <set>
1

$$$$
17-17
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 34 36  0  0  0  0  0  0  0  0999 V2000
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   -3.2396   -1.7810   -0.6983 C   0  0  0  0  0  0
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   -0.2310    0.3831    1.2303 C   0  0  0  0  0  0
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    0.0219    1.8295    1.1253 C   0  0  0  0  0  0
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 20 34  1  0  0  0
M  END
>  <Name>
17-17

>  <Family>
G.2

>  <PC_uM>
10.000000

>  <TG_uM>
1.200000

>  <RL_uM>
1.500000

>  <set>
1

$$$$
17-18
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 36 38  0  0  0  0  0  0  0  0999 V2000
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 19 35  1  0  0  0
 20 36  1  0  0  0
M  END
>  <Name>
17-18

>  <Family>
G.2

>  <PC_uM>
3.200000

>  <TG_uM>
0.370000

>  <RL_uM>
0.510000

>  <set>
2

$$$$
17-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 45  0  0  0  0  0  0  0  0999 V2000
   -3.8179   -1.2465    1.9917 N   0  0  0  0  0  0
   -3.9124   -2.5362    1.6976 C   0  0  0  0  0  0
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M  END
>  <Name>
17-6

>  <Family>
G.2

>  <PC_uM>
>5

>  <TG_uM>
>5

>  <RL_uM>
>5

>  <set>
2

$$$$
17-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 48  0  0  0  0  0  0  0  0999 V2000
   -4.3699   -0.9634    1.7196 N   0  0  0  0  0  0
   -4.7358   -1.9511    0.9156 C   0  0  0  0  0  0
   -3.8985   -2.6168    0.1320 N   0  0  0  0  0  0
   -2.6076   -2.2726    0.1519 C   0  0  0  0  0  0
   -2.0730   -1.2398    0.9474 C   0  0  0  0  0  0
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 25 45  1  0  0  0
 25 46  1  0  0  0
M  END
>  <Name>
17-8

>  <Family>
G.2

>  <PC_uM>
>40

>  <TG_uM>
>40

>  <RL_uM>
84.000000

>  <set>
0

$$$$
17-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
   -3.8368   -0.2560   -0.1084 N   0  0  0  0  0  0
   -3.8032   -1.4062   -0.7667 C   0  0  0  0  0  0
   -2.7946   -2.2664   -0.7086 N   0  0  0  0  0  0
   -1.7393   -1.9491    0.0476 C   0  0  0  0  0  0
   -1.6224   -0.7529    0.7798 C   0  0  0  0  0  0
   -2.7735    0.0651    0.6531 C   0  0  0  0  0  0
   -0.7201   -2.8888    0.0860 C   0  0  0  0  0  0
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    0.5948   -1.5240    1.5477 C   0  0  0  0  0  0
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M  END
>  <Name>
17-10

>  <Family>
G.2

>  <PC_uM>
19.000000

>  <TG_uM>
5.900000

>  <RL_uM>
4.100000

>  <set>
0

$$$$
17-19
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
17-19

>  <Family>
G.2

>  <PC_uM>
>18

>  <TG_uM>
>18

>  <RL_uM>
>18

>  <set>
2

$$$$
17-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 47 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
17-7

>  <Family>
G.2

>  <PC_uM>
>20

>  <TG_uM>
>20

>  <RL_uM>
>20

>  <set>
0

$$$$
17-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 50 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
17-9

>  <Family>
G.2

>  <PC_uM>
>20

>  <TG_uM>
>20

>  <RL_uM>
53.000000

>  <set>
1

$$$$
17-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 48 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
17-11

>  <Family>
G.2

>  <PC_uM>
14.000000

>  <TG_uM>
0.930000

>  <RL_uM>
3.700000

>  <set>
2

$$$$
18-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 47 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
18-5

>  <Family>
G.2

>  <PC_uM>
13.000000

>  <TG_uM>
5.800000

>  <RL_uM>
1.500000

>  <set>
1

$$$$
18-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
18-6

>  <Family>
G.2

>  <PC_uM>
0.510000

>  <TG_uM>
0.130000

>  <RL_uM>
0.019000

>  <set>
2

$$$$
10-17a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
10-17a

>  <Family>
G.2

>  <PC_uM>
>32

>  <TG_uM>
>32

>  <RL_uM>
>32

>  <set>
2

$$$$
10-18a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
10-18a

>  <Family>
G.2

>  <PC_uM>
51.700000

>  <TG_uM>
44.900000

>  <RL_uM>
40.300000

>  <set>
1

$$$$
19-1
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
19-1

>  <Family>
H.1

>  <PC_uM>
4.600000

>  <TG_uM>
0.054000

>  <RL_uM>
0.290000

>  <set>
2

$$$$
19-2
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
19-2

>  <Family>
H.1

>  <PC_uM>
0.095000

>  <TG_uM>
0.007000

>  <RL_uM>
0.038000

>  <set>
0

$$$$
19-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 53 55  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
19-3

>  <Family>
H.1

>  <PC_uM>
0.119000

>  <TG_uM>
0.012000

>  <RL_uM>
0.074000

>  <set>
1

$$$$
19-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
19-4

>  <Family>
H.1

>  <PC_uM>
1.670000

>  <TG_uM>
0.181000

>  <RL_uM>
0.560000

>  <set>
0

$$$$
19-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
19-5

>  <Family>
H.1

>  <PC_uM>
0.300000

>  <TG_uM>
0.015000

>  <RL_uM>
0.260000

>  <set>
2

$$$$
19-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 53 55  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
19-6

>  <Family>
H.1

>  <PC_uM>
0.114000

>  <TG_uM>
0.017000

>  <RL_uM>
0.071000

>  <set>
0

$$$$
19-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 53 55  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
19-7

>  <Family>
H.1

>  <PC_uM>
1.570000

>  <TG_uM>
0.140000

>  <RL_uM>
1.470000

>  <set>
0

$$$$
19-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 56 58  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
19-8

>  <Family>
H.1

>  <PC_uM>
0.319000

>  <TG_uM>
0.017000

>  <RL_uM>
0.116000

>  <set>
0

$$$$
19-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
19-9

>  <Family>
H.1

>  <PC_uM>
6.800000

>  <TG_uM>
0.110000

>  <RL_uM>
0.150000

>  <set>
2

$$$$
19-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
19-10

>  <Family>
H.1

>  <PC_uM>
0.246000

>  <TG_uM>
0.021000

>  <RL_uM>
0.034000

>  <set>
0

$$$$
19-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
19-11

>  <Family>
H.1

>  <PC_uM>
0.410000

>  <TG_uM>
0.097000

>  <RL_uM>
0.240000

>  <set>
0

$$$$
19-12
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
19-12

>  <Family>
H.1

>  <PC_uM>
0.502000

>  <TG_uM>
0.009900

>  <RL_uM>
0.109000

>  <set>
1

$$$$
19-13
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
19-13

>  <Family>
H.1

>  <PC_uM>
0.940000

>  <TG_uM>
0.078000

>  <RL_uM>
0.128000

>  <set>
0

$$$$
19-14
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
19-14

>  <Family>
H.1

>  <PC_uM>
0.171000

>  <TG_uM>
0.022000

>  <RL_uM>
0.067000

>  <set>
0

$$$$
19-15
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
19-15

>  <Family>
H.1

>  <PC_uM>
0.330000

>  <TG_uM>
0.030000

>  <RL_uM>
0.227000

>  <set>
0

$$$$
19-16
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
19-16

>  <Family>
H.1

>  <PC_uM>
18.500000

>  <TG_uM>
N/A

>  <RL_uM>
12.700000

>  <set>
0

$$$$
19-17
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
19-17

>  <Family>
H.1

>  <PC_uM>
3.100000

>  <TG_uM>
0.330000

>  <RL_uM>
1.630000

>  <set>
2

$$$$
19-18
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 46  0  0  0  0  0  0  0  0999 V2000
   -3.3401    1.0118    1.7662 N   0  0  0  0  0  0
   -3.4843   -0.2849    2.0422 C   0  0  0  0  0  0
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M  END
>  <Name>
19-18

>  <Family>
H.1

>  <PC_uM>
0.210000

>  <TG_uM>
0.027000

>  <RL_uM>
0.160000

>  <set>
2

$$$$
19-19
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 48  0  0  0  0  0  0  0  0999 V2000
   -1.9195    1.5492    3.0335 N   0  0  0  0  0  0
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M  END
>  <Name>
19-19

>  <Family>
H.1

>  <PC_uM>
0.517000

>  <TG_uM>
0.036000

>  <RL_uM>
0.139000

>  <set>
0

$$$$
19-20
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 48 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
19-20

>  <Family>
H.1

>  <PC_uM>
0.100000

>  <TG_uM>
0.023000

>  <RL_uM>
0.047000

>  <set>
2

$$$$
20-5a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
20-5a

>  <Family>
H.1

>  <PC_uM>
0.290000

>  <TG_uM>
0.032000

>  <RL_uM>
0.180000

>  <set>
1

$$$$
20-5b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
20-5b

>  <Family>
H.1

>  <PC_uM>
0.250000

>  <TG_uM>
0.023000

>  <RL_uM>
0.110000

>  <set>
2

$$$$
20-5c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
   -2.0620    0.9583    2.8272 N   0  0  0  0  0  0
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M  END
>  <Name>
20-5c

>  <Family>
H.1

>  <PC_uM>
0.340000

>  <TG_uM>
0.036000

>  <RL_uM>
0.110000

>  <set>
0

$$$$
20-5d
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
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  7 22  1  0  0  0
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 21 39  1  0  0  0
 21 40  1  0  0  0
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M  END
>  <Name>
20-5d

>  <Family>
H.1

>  <PC_uM>
0.450000

>  <TG_uM>
0.014000

>  <RL_uM>
0.120000

>  <set>
1

$$$$
20-5e
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
   -2.0148    1.3858    2.9620 N   0  0  0  0  0  0
   -2.1046    0.0670    3.1321 C   0  0  0  0  0  0
   -1.0826   -0.7782    3.0051 N   0  0  0  0  0  0
    0.1183   -0.2561    2.6660 C   0  0  0  0  0  0
    0.3075    1.0981    2.4517 C   0  0  0  0  0  0
   -0.8119    1.8919    2.6480 C   0  0  0  0  0  0
    1.2307   -1.2513    2.4861 C   0  0  0  0  0  0
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    0.7912   -3.3852   -2.0503 O   0  0  0  0  0  0
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  2 19  1  0  0  0
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 21 41  1  0  0  0
M  END
>  <Name>
20-5e

>  <Family>
H.1

>  <PC_uM>
0.270000

>  <TG_uM>
0.021000

>  <RL_uM>
0.110000

>  <set>
2

$$$$
20-5f
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
   -2.0791    1.3272    2.0340 N   0  0  0  0  0  0
   -1.9339    0.1125    2.5629 C   0  0  0  0  0  0
   -0.7677   -0.5204    2.6825 N   0  0  0  0  0  0
    0.3341    0.1119    2.2176 C   0  0  0  0  0  0
    0.2822    1.3670    1.6363 C   0  0  0  0  0  0
   -0.9738    1.9522    1.5986 C   0  0  0  0  0  0
    1.6190   -0.6616    2.3248 C   0  0  0  0  0  0
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    0.6643    0.0597   -1.5057 C   0  0  0  0  0  0
   -0.2788   -0.8573   -1.9850 C   0  0  0  0  0  0
    0.0030   -2.2223   -1.9780 C   0  0  0  0  0  0
    1.2392   -2.6582   -1.4975 C   0  0  0  0  0  0
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   -1.1784    3.2000    1.0445 N   0  0  0  0  0  0
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   -0.8284   -3.2170   -2.4137 O   0  0  0  0  0  0
   -2.1208   -2.8176   -2.8677 C   0  0  0  0  0  0
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    1.7609    2.8342    1.8967 H   0  0  0  0  0  0
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  1  6  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
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 20 21  1  0  0  0
 21 39  1  0  0  0
 21 40  1  0  0  0
 21 41  1  0  0  0
M  END
>  <Name>
20-5f

>  <Family>
H.1

>  <PC_uM>
0.440000

>  <TG_uM>
0.050000

>  <RL_uM>
0.077000

>  <set>
0

$$$$
20-5g
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
   -2.0551    1.0135    2.9056 N   0  0  0  0  0  0
   -2.0990   -0.3124    3.0334 C   0  0  0  0  0  0
   -1.0441   -1.1155    2.9010 N   0  0  0  0  0  0
    0.1426   -0.5396    2.6011 C   0  0  0  0  0  0
    0.2850    0.8266    2.4311 C   0  0  0  0  0  0
   -0.8664    1.5728    2.6300 C   0  0  0  0  0  0
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    1.5451   -3.7134   -3.5121 F   0  0  0  0  0  0
   -0.3137   -4.2572   -2.5187 F   0  0  0  0  0  0
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    2.9578   -0.6169    3.4302 H   0  0  0  0  0  0
    3.6612    0.9838    1.9054 H   0  0  0  0  0  0
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   -3.3605   -1.8879    3.4259 H   0  0  0  0  0  0
   -4.1172   -0.3059    3.4289 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6 18  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
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  8 27  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
  9 28  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
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 11 32  1  0  0  0
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 12 17  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
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 16 17  2  0  0  0
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 17 36  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 22  1  0  0  0
 20 23  1  0  0  0
M  END
>  <Name>
20-5g

>  <Family>
H.1

>  <PC_uM>
0.400000

>  <TG_uM>
0.140000

>  <RL_uM>
0.190000

>  <set>
0

$$$$
20-5h
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
   -2.0040    1.4387    3.0634 N   0  0  0  0  0  0
   -2.0925    0.1197    3.2329 C   0  0  0  0  0  0
   -1.0707   -0.7250    3.1011 N   0  0  0  0  0  0
    0.1287   -0.2021    2.7584 C   0  0  0  0  0  0
    0.3165    1.1523    2.5444 C   0  0  0  0  0  0
   -0.8025    1.9456    2.7449 C   0  0  0  0  0  0
    1.2406   -1.1970    2.5734 C   0  0  0  0  0  0
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    2.7089    0.7208    1.6996 C   0  0  0  0  0  0
    1.6580    1.7305    2.1898 C   0  0  0  0  0  0
    2.7693    0.5485    0.1629 C   0  0  0  0  0  0
    1.5930   -0.0643   -0.5543 C   0  0  0  0  0  0
    0.4613    0.6959   -0.8643 C   0  0  0  0  0  0
   -0.6146    0.1175   -1.5372 C   0  0  0  0  0  0
   -0.5709   -1.2246   -1.9231 C   0  0  0  0  0  0
    0.5557   -1.9950   -1.6413 C   0  0  0  0  0  0
    1.6315   -1.4070   -0.9624 C   0  0  0  0  0  0
   -0.7660    3.3137    2.5640 N   0  0  0  0  0  0
   -3.3040   -0.4006    3.5696 N   0  0  0  0  0  0
   -0.3029   -3.9713   -2.6606 C   0  0  0  0  0  0
    0.0742   -5.2546   -2.8881 F   0  0  0  0  0  0
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  1  6  1  0  0  0
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  2 19  1  0  0  0
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  4  5  1  0  0  0
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 20 21  1  0  0  0
 20 22  1  0  0  0
 20 23  1  0  0  0
 20 24  1  0  0  0
M  END
>  <Name>
20-5h

>  <Family>
H.1

>  <PC_uM>
0.100000

>  <TG_uM>
0.014000

>  <RL_uM>
0.079000

>  <set>
0

$$$$
20-5i
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
   -1.8135    0.9206    2.6364 N   0  0  0  0  0  0
   -1.7028   -0.3375    3.0612 C   0  0  0  0  0  0
   -0.5949   -1.0696    2.9587 N   0  0  0  0  0  0
    0.4821   -0.4909    2.3800 C   0  0  0  0  0  0
    0.4576    0.8019    1.8844 C   0  0  0  0  0  0
   -0.7439    1.4753    2.0439 C   0  0  0  0  0  0
    1.7032   -1.3616    2.2718 C   0  0  0  0  0  0
    2.9858   -0.6160    1.9178 C   0  0  0  0  0  0
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  1  6  1  0  0  0
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  9 10  1  0  0  0
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 20 21  1  0  0  0
 20 22  1  0  0  0
 20 23  1  0  0  0
 20 24  1  0  0  0
M  END
>  <Name>
20-5i

>  <Family>
H.1

>  <PC_uM>
0.580000

>  <TG_uM>
0.073000

>  <RL_uM>
0.170000

>  <set>
1

$$$$
20-5j
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
   -1.8395    0.0096    3.2212 N   0  0  0  0  0  0
   -1.5692   -1.2878    3.3613 C   0  0  0  0  0  0
   -0.4002   -1.8492    3.0551 N   0  0  0  0  0  0
    0.5649   -1.0443    2.5552 C   0  0  0  0  0  0
    0.3732    0.3121    2.3577 C   0  0  0  0  0  0
   -0.8646    0.8001    2.7461 C   0  0  0  0  0  0
    1.8478   -1.7299    2.1743 C   0  0  0  0  0  0
    3.0103   -0.7878    1.8752 C   0  0  0  0  0  0
    2.6158    0.4825    1.1145 C   0  0  0  0  0  0
    1.4575    1.2042    1.8226 C   0  0  0  0  0  0
    2.4335    0.3203   -0.4149 C   0  0  0  0  0  0
    1.3432   -0.5925   -0.9361 C   0  0  0  0  0  0
    0.0231   -0.1027   -1.0176 C   0  0  0  0  0  0
   -1.0136   -0.9052   -1.4929 C   0  0  0  0  0  0
   -0.7262   -2.2012   -1.9154 C   0  0  0  0  0  0
    0.5787   -2.6990   -1.8592 C   0  0  0  0  0  0
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    3.2246   -3.6513   -1.6585 C   0  0  0  0  0  0
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    2.1451   -2.4021    2.9890 H   0  0  0  0  0  0
    3.8045   -1.3283    1.3473 H   0  0  0  0  0  0
    3.4456   -0.4777    2.8358 H   0  0  0  0  0  0
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    1.8717    1.7456    2.6845 H   0  0  0  0  0  0
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   -3.4444   -1.6998    4.0979 H   0  0  0  0  0  0
    4.2953   -3.8099   -1.4982 H   0  0  0  0  0  0
    3.0191   -3.8128   -2.7217 H   0  0  0  0  0  0
    2.6840   -4.3693   -1.0332 H   0  0  0  0  0  0
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  1  2  2  0  0  0
  1  6  1  0  0  0
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  2 19  1  0  0  0
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 20 21  1  0  0  0
 21 40  1  0  0  0
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 21 42  1  0  0  0
 22 23  1  0  0  0
 23 43  1  0  0  0
 23 44  1  0  0  0
 23 45  1  0  0  0
M  END
>  <Name>
20-5j

>  <Family>
H.1

>  <PC_uM>
0.057000

>  <TG_uM>
0.021000

>  <RL_uM>
0.034000

>  <set>
0

$$$$
20-5k
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
   -2.0185    0.9318    2.8828 N   0  0  0  0  0  0
   -1.8956   -0.3811    3.0741 C   0  0  0  0  0  0
   -0.7458   -1.0481    2.9890 N   0  0  0  0  0  0
    0.3622   -0.3403    2.6714 C   0  0  0  0  0  0
    0.3337    1.0243    2.4390 C   0  0  0  0  0  0
   -0.9064    1.6253    2.5902 C   0  0  0  0  0  0
    1.6250   -1.1450    2.5359 C   0  0  0  0  0  0
    2.9016   -0.3155    2.4442 C   0  0  0  0  0  0
    2.7657    0.9683    1.6172 C   0  0  0  0  0  0
    1.5771    1.8068    2.1156 C   0  0  0  0  0  0
    2.8290    0.7759    0.0822 C   0  0  0  0  0  0
    1.6575    0.1371   -0.6226 C   0  0  0  0  0  0
    0.5447    0.9004   -0.9901 C   0  0  0  0  0  0
   -0.5459    0.3131   -1.6357 C   0  0  0  0  0  0
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    0.5208   -3.1595   -1.9294 O   0  0  0  0  0  0
    1.5825   -3.9978   -1.4797 C   0  0  0  0  0  0
   -1.5658   -1.7171   -2.5568 O   0  0  0  0  0  0
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  1  2  2  0  0  0
  1  6  1  0  0  0
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  2 19  1  0  0  0
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 12 13  2  0  0  0
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 22 23  1  0  0  0
 23 43  1  0  0  0
 23 44  1  0  0  0
 23 45  1  0  0  0
M  END
>  <Name>
20-5k

>  <Family>
H.1

>  <PC_uM>
0.100000

>  <TG_uM>
0.023000

>  <RL_uM>
0.063000

>  <set>
1

$$$$
20-5l
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 49 51  0  0  0  0  0  0  0  0999 V2000
   -1.7747    0.8342    3.7903 N   0  0  0  0  0  0
   -1.5925   -0.4804    3.9111 C   0  0  0  0  0  0
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   -0.7709    1.5555    3.2677 C   0  0  0  0  0  0
    1.7172   -1.1596    2.5458 C   0  0  0  0  0  0
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    1.5220    1.7980    2.2230 C   0  0  0  0  0  0
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    1.1645    0.0270   -0.5272 C   0  0  0  0  0  0
   -0.1346    0.5604   -0.5368 C   0  0  0  0  0  0
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M  END
>  <Name>
20-5l

>  <Family>
H.1

>  <PC_uM>
0.091000

>  <TG_uM>
0.024000

>  <RL_uM>
0.038000

>  <set>
0

$$$$
20-5m
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
   -2.0787    0.6320    2.2711 N   0  0  0  0  0  0
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M  END
>  <Name>
20-5m

>  <Family>
H.1

>  <PC_uM>
15.000000

>  <TG_uM>
2.600000

>  <RL_uM>
7.300000

>  <set>
1

$$$$
20-9a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 30 31  0  0  0  0  0  0  0  0999 V2000
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 13 28  1  0  0  0
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M  END
>  <Name>
20-9a

>  <Family>
H.2

>  <PC_uM>
6.900000

>  <TG_uM>
1.100000

>  <RL_uM>
3.000000

>  <set>
1

$$$$
20-9b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 36 37  0  0  0  0  0  0  0  0999 V2000
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 16 34  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
M  END
>  <Name>
20-9b

>  <Family>
H.2

>  <PC_uM>
0.180000

>  <TG_uM>
0.018000

>  <RL_uM>
0.065000

>  <set>
0

$$$$
20-9c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
20-9c

>  <Family>
H.2

>  <PC_uM>
2.200000

>  <TG_uM>
1.300000

>  <RL_uM>
1.900000

>  <set>
2

$$$$
20-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
20-10

>  <Family>
H.2

>  <PC_uM>
0.210000

>  <TG_uM>
0.062000

>  <RL_uM>
0.080000

>  <set>
0

$$$$
20-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
20-11

>  <Family>
H.2

>  <PC_uM>
1.700000

>  <TG_uM>
0.049000

>  <RL_uM>
0.130000

>  <set>
1

$$$$
20-12
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
20-12

>  <Family>
H.2

>  <PC_uM>
0.880000

>  <TG_uM>
0.040000

>  <RL_uM>
0.270000

>  <set>
1

$$$$
8-2a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
8-2a

>  <Family>
I.1

>  <PC_uM>
2.000000

>  <TG_uM>
0.130000

>  <RL_uM>
0.520000

>  <set>
2

$$$$
8-2b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
8-2b

>  <Family>
I.1

>  <PC_uM>
0.470000

>  <TG_uM>
0.049000

>  <RL_uM>
0.160000

>  <set>
0

$$$$
8-2c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
8-2c

>  <Family>
I.1

>  <PC_uM>
0.380000

>  <TG_uM>
0.048000

>  <RL_uM>
0.086000

>  <set>
0

$$$$
14-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
14-5

>  <Family>
I.1

>  <PC_uM>
1.400000

>  <TG_uM>
0.100000

>  <RL_uM>
0.430000

>  <set>
0

$$$$
14-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
14-6

>  <Family>
I.1

>  <PC_uM>
2.600000

>  <TG_uM>
0.082000

>  <RL_uM>
0.300000

>  <set>
1

$$$$
14-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
14-7

>  <Family>
I.1

>  <PC_uM>
0.130000

>  <TG_uM>
0.004700

>  <RL_uM>
0.026000

>  <set>
0

$$$$
14-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
14-8

>  <Family>
I.1

>  <PC_uM>
0.062000

>  <TG_uM>
0.015000

>  <RL_uM>
0.022000

>  <set>
2

$$$$
14-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
14-9

>  <Family>
I.1

>  <PC_uM>
2.100000

>  <TG_uM>
0.020000

>  <RL_uM>
0.067000

>  <set>
0

$$$$
14-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
14-10

>  <Family>
I.1

>  <PC_uM>
0.022000

>  <TG_uM>
0.098000

>  <RL_uM>
0.032000

>  <set>
0

$$$$
21-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-3

>  <Family>
I.1

>  <PC_uM>
2.000000

>  <TG_uM>
0.130000

>  <RL_uM>
0.520000

>  <set>
0

$$$$
21-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
21-4

>  <Family>
I.1

>  <PC_uM>
1.700000

>  <TG_uM>
0.085000

>  <RL_uM>
0.260000

>  <set>
0

$$$$
21-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-5

>  <Family>
I.1

>  <PC_uM>
0.290000

>  <TG_uM>
0.008400

>  <RL_uM>
0.024000

>  <set>
0

$$$$
21-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-6

>  <Family>
I.1

>  <PC_uM>
2.700000

>  <TG_uM>
0.120000

>  <RL_uM>
0.420000

>  <set>
0

$$$$
21-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-7

>  <Family>
I.1

>  <PC_uM>
0.510000

>  <TG_uM>
0.026000

>  <RL_uM>
0.120000

>  <set>
2

$$$$
21-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-8

>  <Family>
I.1

>  <PC_uM>
1.700000

>  <TG_uM>
0.100000

>  <RL_uM>
0.200000

>  <set>
2

$$$$
21-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-9

>  <Family>
I.1

>  <PC_uM>
0.097000

>  <TG_uM>
0.015000

>  <RL_uM>
0.035000

>  <set>
0

$$$$
21-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-10

>  <Family>
I.1

>  <PC_uM>
0.850000

>  <TG_uM>
0.054000

>  <RL_uM>
0.073000

>  <set>
0

$$$$
21-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-11

>  <Family>
I.1

>  <PC_uM>
0.250000

>  <TG_uM>
0.016000

>  <RL_uM>
0.018000

>  <set>
1

$$$$
21-12
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-12

>  <Family>
I.1

>  <PC_uM>
0.530000

>  <TG_uM>
0.110000

>  <RL_uM>
0.140000

>  <set>
0

$$$$
21-13
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-13

>  <Family>
I.1

>  <PC_uM>
0.210000

>  <TG_uM>
0.015000

>  <RL_uM>
0.120000

>  <set>
0

$$$$
21-14
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-14

>  <Family>
I.1

>  <PC_uM>
2.000000

>  <TG_uM>
0.130000

>  <RL_uM>
0.140000

>  <set>
1

$$$$
21-15
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 44  0  0  0  0  0  0  0  0999 V2000
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   -5.4807   -2.0341   -0.8349 C   0  0  0  0  0  0
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M  END
>  <Name>
21-15

>  <Family>
I.1

>  <PC_uM>
5.500000

>  <TG_uM>
0.140000

>  <RL_uM>
0.320000

>  <set>
1

$$$$
21-16
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-16

>  <Family>
I.1

>  <PC_uM>
0.160000

>  <TG_uM>
0.014000

>  <RL_uM>
0.016000

>  <set>
0

$$$$
21-17
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 44  0  0  0  0  0  0  0  0999 V2000
   -5.0494   -0.1511    0.2609 N   0  0  0  0  0  0
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M  END
>  <Name>
21-17

>  <Family>
I.1

>  <PC_uM>
4.400000

>  <TG_uM>
0.120000

>  <RL_uM>
0.280000

>  <set>
0

$$$$
21-18
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
21-18

>  <Family>
I.1

>  <PC_uM>
0.210000

>  <TG_uM>
0.025000

>  <RL_uM>
0.050000

>  <set>
0

$$$$
21-19
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-19

>  <Family>
I.1

>  <PC_uM>
0.900000

>  <TG_uM>
0.090000

>  <RL_uM>
0.060000

>  <set>
0

$$$$
21-20
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-20

>  <Family>
I.1

>  <PC_uM>
0.091000

>  <TG_uM>
0.009800

>  <RL_uM>
0.002700

>  <set>
0

$$$$
21-21
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
21-21

>  <Family>
I.1

>  <PC_uM>
0.730000

>  <TG_uM>
0.050000

>  <RL_uM>
0.088000

>  <set>
1

$$$$
21-22
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-22

>  <Family>
I.1

>  <PC_uM>
0.500000

>  <TG_uM>
0.050000

>  <RL_uM>
0.058000

>  <set>
0

$$$$
21-23
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-23

>  <Family>
I.1

>  <PC_uM>
1.600000

>  <TG_uM>
0.091000

>  <RL_uM>
0.200000

>  <set>
0

$$$$
21-24
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-24

>  <Family>
I.1

>  <PC_uM>
0.150000

>  <TG_uM>
0.025000

>  <RL_uM>
0.047000

>  <set>
0

$$$$
21-25
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-25

>  <Family>
I.1

>  <PC_uM>
1.000000

>  <TG_uM>
0.028000

>  <RL_uM>
0.082000

>  <set>
0

$$$$
21-26
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-26

>  <Family>
I.1

>  <PC_uM>
0.170000

>  <TG_uM>
0.030000

>  <RL_uM>
0.048000

>  <set>
1

$$$$
21-27
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-27

>  <Family>
I.1

>  <PC_uM>
0.410000

>  <TG_uM>
0.057000

>  <RL_uM>
0.054000

>  <set>
0

$$$$
21-28
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-28

>  <Family>
I.1

>  <PC_uM>
0.038000

>  <TG_uM>
0.027000

>  <RL_uM>
0.017000

>  <set>
0

$$$$
21-29
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-29

>  <Family>
I.1

>  <PC_uM>
2.000000

>  <TG_uM>
0.040000

>  <RL_uM>
0.200000

>  <set>
0

$$$$
21-30
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-30

>  <Family>
I.1

>  <PC_uM>
0.660000

>  <TG_uM>
0.087000

>  <RL_uM>
0.044000

>  <set>
0

$$$$
21-31
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-31

>  <Family>
I.1

>  <PC_uM>
0.250000

>  <TG_uM>
0.038000

>  <RL_uM>
0.087000

>  <set>
0

$$$$
21-32
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 Structure written by MMmdl.
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M  END
>  <Name>
21-32

>  <Family>
I.1

>  <PC_uM>
2.000000

>  <TG_uM>
0.046000

>  <RL_uM>
0.570000

>  <set>
0

$$$$
21-33
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-33

>  <Family>
I.1

>  <PC_uM>
0.120000

>  <TG_uM>
0.044000

>  <RL_uM>
0.052000

>  <set>
0

$$$$
21-34
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-34

>  <Family>
I.1

>  <PC_uM>
0.470000

>  <TG_uM>
0.049000

>  <RL_uM>
0.160000

>  <set>
0

$$$$
21-35
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
21-35

>  <Family>
I.1

>  <PC_uM>
0.380000

>  <TG_uM>
0.048000

>  <RL_uM>
0.086000

>  <set>
0

$$$$
21-36
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
21-36

>  <Family>
I.1

>  <PC_uM>
0.230000

>  <TG_uM>
0.026000

>  <RL_uM>
0.040000

>  <set>
1

$$$$
21-37
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-37

>  <Family>
I.1

>  <PC_uM>
1.600000

>  <TG_uM>
0.160000

>  <RL_uM>
0.210000

>  <set>
0

$$$$
21-38
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 Structure written by MMmdl.
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M  END
>  <Name>
21-38

>  <Family>
I.1

>  <PC_uM>
0.040000

>  <TG_uM>
0.018000

>  <RL_uM>
0.007300

>  <set>
0

$$$$
21-39
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
21-39

>  <Family>
I.1

>  <PC_uM>
0.052000

>  <TG_uM>
0.016000

>  <RL_uM>
0.007200

>  <set>
0

$$$$
21-40
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-40

>  <Family>
I.1

>  <PC_uM>
0.410000

>  <TG_uM>
0.027000

>  <RL_uM>
0.002500

>  <set>
0

$$$$
21-41
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-41

>  <Family>
I.1

>  <PC_uM>
0.130000

>  <TG_uM>
0.015000

>  <RL_uM>
0.005100

>  <set>
1

$$$$
21-42
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-42

>  <Family>
I.1

>  <PC_uM>
0.220000

>  <TG_uM>
0.020000

>  <RL_uM>
0.015000

>  <set>
1

$$$$
21-43
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-43

>  <Family>
I.1

>  <PC_uM>
0.250000

>  <TG_uM>
0.046000

>  <RL_uM>
0.032000

>  <set>
0

$$$$
21-44
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
21-44

>  <Family>
I.1

>  <PC_uM>
0.120000

>  <TG_uM>
0.054000

>  <RL_uM>
0.007500

>  <set>
0

$$$$
22-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
22-4

>  <Family>
I.1

>  <PC_uM>
2.200000

>  <TG_uM>
0.058000

>  <RL_uM>
0.230000

>  <set>
1

$$$$
22-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
22-5

>  <Family>
I.1

>  <PC_uM>
0.700000

>  <TG_uM>
0.045000

>  <RL_uM>
0.075000

>  <set>
1

$$$$
22-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
22-6

>  <Family>
I.1

>  <PC_uM>
0.086000

>  <TG_uM>
0.019000

>  <RL_uM>
0.018000

>  <set>
0

$$$$
22-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
22-7

>  <Family>
I.1

>  <PC_uM>
3.200000

>  <TG_uM>
0.210000

>  <RL_uM>
1.400000

>  <set>
2

$$$$
22-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
22-8

>  <Family>
I.1

>  <PC_uM>
10.500000

>  <TG_uM>
1.000000

>  <RL_uM>
2.000000

>  <set>
1

$$$$
22-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
22-9

>  <Family>
I.1

>  <PC_uM>
2.700000

>  <TG_uM>
0.940000

>  <RL_uM>
0.880000

>  <set>
1

$$$$
22-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
22-11

>  <Family>
I.1

>  <PC_uM>
8.700000

>  <TG_uM>
0.460000

>  <RL_uM>
0.260000

>  <set>
0

$$$$
22-12
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
22-12

>  <Family>
I.1

>  <PC_uM>
90.400000

>  <TG_uM>
2.800000

>  <RL_uM>
3.800000

>  <set>
2

$$$$
22-15
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
22-15

>  <Family>
I.1

>  <PC_uM>
40.400000

>  <TG_uM>
0.680000

>  <RL_uM>
1.100000

>  <set>
0

$$$$
22-19
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
22-19

>  <Family>
I.1

>  <PC_uM>
0.220000

>  <TG_uM>
0.008600

>  <RL_uM>
0.006800

>  <set>
0

$$$$
22-21
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
22-21

>  <Family>
I.1

>  <PC_uM>
0.002300

>  <TG_uM>
0.000880

>  <RL_uM>
0.000400

>  <set>
2

$$$$
22-14
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
22-14

>  <Family>
I.1

>  <PC_uM>
16.100000

>  <TG_uM>
0.730000

>  <RL_uM>
3.600000

>  <set>
2

$$$$
22-20
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
22-20

>  <Family>
I.1

>  <PC_uM>
0.034000

>  <TG_uM>
0.041000

>  <RL_uM>
0.004200

>  <set>
0

$$$$
22-16
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 45  0  0  0  0  0  0  0  0999 V2000
   -4.2939   -1.6898    2.2823 N   0  0  0  0  0  0
   -4.2634   -2.9754    2.6282 C   0  0  0  0  0  0
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M  END
>  <Name>
22-16

>  <Family>
I.1

>  <PC_uM>
25.900000

>  <TG_uM>
2.400000

>  <RL_uM>
3.200000

>  <set>
1

$$$$
22-22
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 48  0  0  0  0  0  0  0  0999 V2000
   -4.2553   -1.0559    2.2205 N   0  0  0  0  0  0
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M  END
>  <Name>
22-22

>  <Family>
I.1

>  <PC_uM>
0.021000

>  <TG_uM>
0.007600

>  <RL_uM>
0.003700

>  <set>
0

$$$$
22-23
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
22-23

>  <Family>
I.1

>  <PC_uM>
5.100000

>  <TG_uM>
2.100000

>  <RL_uM>
3.300000

>  <set>
0

$$$$
22-17
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
22-17

>  <Family>
I.1

>  <PC_uM>
15.000000

>  <TG_uM>
1.100000

>  <RL_uM>
2.000000

>  <set>
1

$$$$
22-24
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
22-24

>  <Family>
I.1

>  <PC_uM>
0.031700

>  <TG_uM>
0.014500

>  <RL_uM>
0.009900

>  <set>
0

$$$$
22-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
22-10

>  <Family>
I.1

>  <PC_uM>
8.300000

>  <TG_uM>
0.300000

>  <RL_uM>
0.430000

>  <set>
0

$$$$
22-18
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
22-18

>  <Family>
I.1

>  <PC_uM>
0.099500

>  <TG_uM>
0.002200

>  <RL_uM>
0.001300

>  <set>
2

$$$$
22-13
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
22-13

>  <Family>
I.1

>  <PC_uM>
14.600000

>  <TG_uM>
0.830000

>  <RL_uM>
0.820000

>  <set>
2

$$$$
22-25
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 48  0  0  0  0  0  0  0  0999 V2000
   -5.3480   -2.2449    0.6393 N   0  0  0  0  0  0
   -5.3478   -3.1642    1.6027 C   0  0  0  0  0  0
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   -2.9606   -1.9697    0.9759 C   0  0  0  0  0  0
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M  END
>  <Name>
22-25

>  <Family>
I.1

>  <PC_uM>
29.400000

>  <TG_uM>
0.490000

>  <RL_uM>
1.400000

>  <set>
2

$$$$
18-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 50  0  0  0  0  0  0  0  0999 V2000
   -4.2134    1.5265    1.6786 N   0  0  0  0  0  0
   -4.5673    0.4798    0.9354 C   0  0  0  0  0  0
   -3.7076   -0.3056    0.2880 N   0  0  0  0  0  0
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   -1.8942    1.0519    1.1421 C   0  0  0  0  0  0
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   -2.5707    2.9162    2.5294 N   0  0  0  0  0  0
   -5.8919    0.1939    0.8269 N   0  0  0  0  0  0
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M  END
>  <Name>
18-4

>  <Family>
I.2

>  <PC_uM>
0.037000

>  <TG_uM>
0.034000

>  <RL_uM>
0.053000

>  <set>
2

$$$$
8-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
8-3

>  <Family>
J.1

>  <PC_uM>
1.300000

>  <TG_uM>
0.470000

>  <RL_uM>
1.900000

>  <set>
1

$$$$
8-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
8-4

>  <Family>
J.1

>  <PC_uM>
0.950000

>  <TG_uM>
0.390000

>  <RL_uM>
3.400000

>  <set>
0

$$$$
8-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
8-5

>  <Family>
J.1

>  <PC_uM>
0.170000

>  <TG_uM>
0.090000

>  <RL_uM>
0.220000

>  <set>
0

$$$$
8-6
  Cerius2 12180216033D 1   1.00000                          
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 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
8-6

>  <Family>
J.1

>  <PC_uM>
5.900000

>  <TG_uM>
2.000000

>  <RL_uM>
2.500000

>  <set>
2

$$$$
8-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
8-7

>  <Family>
J.1

>  <PC_uM>
11.000000

>  <TG_uM>
6.200000

>  <RL_uM>
38.000000

>  <set>
1

$$$$
8-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
8-8

>  <Family>
J.1

>  <PC_uM>
2.200000

>  <TG_uM>
1.100000

>  <RL_uM>
4.000000

>  <set>
1

$$$$
23-4a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
23-4a

>  <Family>
J.1

>  <PC_uM>
0.086000

>  <TG_uM>
0.007400

>  <RL_uM>
0.002100

>  <set>
1

$$$$
23-5a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
23-5a

>  <Family>
J.1

>  <PC_uM>
0.013200

>  <TG_uM>
0.000850

>  <RL_uM>
0.007600

>  <set>
0

$$$$
23-6a
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 Structure written by MMmdl.
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M  END
>  <Name>
23-6a

>  <Family>
J.1

>  <PC_uM>
0.550000

>  <TG_uM>
0.013000

>  <RL_uM>
0.110000

>  <set>
2

$$$$
23-4b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
23-4b

>  <Family>
J.1

>  <PC_uM>
0.320000

>  <TG_uM>
0.028000

>  <RL_uM>
0.053000

>  <set>
0

$$$$
23-5b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
23-5b

>  <Family>
J.1

>  <PC_uM>
0.100000

>  <TG_uM>
0.027000

>  <RL_uM>
0.042000

>  <set>
1

$$$$
23-6b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
23-6b

>  <Family>
J.1

>  <PC_uM>
0.510000

>  <TG_uM>
0.083000

>  <RL_uM>
0.140000

>  <set>
2

$$$$
23-4c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
23-4c

>  <Family>
J.1

>  <PC_uM>
0.063000

>  <TG_uM>
0.012000

>  <RL_uM>
0.033000

>  <set>
0

$$$$
23-5c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
23-5c

>  <Family>
J.1

>  <PC_uM>
0.104500

>  <TG_uM>
0.038100

>  <RL_uM>
0.036300

>  <set>
0

$$$$
23-6c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
23-6c

>  <Family>
J.1

>  <PC_uM>
0.520000

>  <TG_uM>
0.094000

>  <RL_uM>
0.250000

>  <set>
0

$$$$
24-2a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
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   -4.7628   -3.3332   -0.2219 C   0  0  0  0  0  0
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M  END
>  <Name>
24-2a

>  <Family>
J.1

>  <PC_uM>
0.046000

>  <TG_uM>
0.016000

>  <RL_uM>
0.128000

>  <set>
0

$$$$
24-2b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
24-2b

>  <Family>
J.1

>  <PC_uM>
0.022900

>  <TG_uM>
0.004800

>  <RL_uM>
0.042500

>  <set>
0

$$$$
24-2c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
24-2c

>  <Family>
J.1

>  <PC_uM>
0.316000

>  <TG_uM>
0.056500

>  <RL_uM>
0.214000

>  <set>
1

$$$$
24-2d
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
24-2d

>  <Family>
J.1

>  <PC_uM>
0.044000

>  <TG_uM>
0.008800

>  <RL_uM>
0.007600

>  <set>
0

$$$$
24-2e
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 51 53  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
24-2e

>  <Family>
J.1

>  <PC_uM>
0.076700

>  <TG_uM>
0.017000

>  <RL_uM>
0.017400

>  <set>
1

$$$$
24-3a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 48 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
24-3a

>  <Family>
J.1

>  <PC_uM>
0.216000

>  <TG_uM>
0.030100

>  <RL_uM>
0.407000

>  <set>
2

$$$$
24-3b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 48 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
24-3b

>  <Family>
J.1

>  <PC_uM>
0.130000

>  <TG_uM>
0.058000

>  <RL_uM>
0.170000

>  <set>
1

$$$$
24-3c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
24-3c

>  <Family>
J.1

>  <PC_uM>
0.320000

>  <TG_uM>
0.029000

>  <RL_uM>
0.044000

>  <set>
0

$$$$
24-3e
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 Structure written by MMmdl.
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M  END
>  <Name>
24-3e

>  <Family>
J.1

>  <PC_uM>
3.100000

>  <TG_uM>
0.100000

>  <RL_uM>
3000.000000

>  <set>
0

$$$$
24-4a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
24-4a

>  <Family>
J.1

>  <PC_uM>
0.053500

>  <TG_uM>
0.007700

>  <RL_uM>
0.011800

>  <set>
0

$$$$
24-4b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
24-4b

>  <Family>
J.1

>  <PC_uM>
0.013400

>  <TG_uM>
0.006700

>  <RL_uM>
0.017500

>  <set>
1

$$$$
24-4c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
24-4c

>  <Family>
J.1

>  <PC_uM>
0.049700

>  <TG_uM>
0.002700

>  <RL_uM>
0.010500

>  <set>
0

$$$$
24-5a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
24-5a

>  <Family>
J.1

>  <PC_uM>
0.573000

>  <TG_uM>
0.014500

>  <RL_uM>
0.029600

>  <set>
0

$$$$
24-5b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 47 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
24-5b

>  <Family>
J.1

>  <PC_uM>
0.041000

>  <TG_uM>
0.023000

>  <RL_uM>
0.054000

>  <set>
0

$$$$
14-20
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
14-20

>  <Family>
J.1

>  <PC_uM>
0.086000

>  <TG_uM>
0.007400

>  <RL_uM>
0.002100

>  <set>
0

$$$$
14-21
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 52 54  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
14-21

>  <Family>
J.1

>  <PC_uM>
0.013000

>  <TG_uM>
0.000850

>  <RL_uM>
0.007600

>  <set>
0

$$$$
14-22
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
14-22

>  <Family>
J.1

>  <PC_uM>
0.100000

>  <TG_uM>
0.027000

>  <RL_uM>
0.042000

>  <set>
0

$$$$
9-13a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 46  0  0  0  0  0  0  0  0999 V2000
   -5.1034   -0.3815    0.6001 N   0  0  0  0  0  0
   -5.0297   -1.6531    0.9637 C   0  0  0  0  0  0
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M  END
>  <Name>
9-13a

>  <Family>
J.1

>  <PC_uM>
0.220000

>  <TG_uM>
0.240000

>  <RL_uM>
0.110000

>  <set>
0

$$$$
9-13b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-13b

>  <Family>
J.1

>  <PC_uM>
0.440000

>  <TG_uM>
0.034000

>  <RL_uM>
0.430000

>  <set>
1

$$$$
9-13c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 45  0  0  0  0  0  0  0  0999 V2000
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   -5.1240   -1.9328    1.0788 C   0  0  0  0  0  0
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M  END
>  <Name>
9-13c

>  <Family>
J.1

>  <PC_uM>
0.290000

>  <TG_uM>
0.030000

>  <RL_uM>
0.550000

>  <set>
0

$$$$
9-13d
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 41  0  0  0  0  0  0  0  0999 V2000
   -4.8790   -1.1099   -0.1846 N   0  0  0  0  0  0
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M  END
>  <Name>
9-13d

>  <Family>
J.1

>  <PC_uM>
0.170000

>  <TG_uM>
0.065000

>  <RL_uM>
0.330000

>  <set>
0

$$$$
9-13e
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-13e

>  <Family>
J.1

>  <PC_uM>
0.530000

>  <TG_uM>
0.057000

>  <RL_uM>
0.500000

>  <set>
0

$$$$
9-13f
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-13f

>  <Family>
J.1

>  <PC_uM>
0.340000

>  <TG_uM>
0.110000

>  <RL_uM>
0.600000

>  <set>
0

$$$$
9-13g
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-13g

>  <Family>
J.1

>  <PC_uM>
0.560000

>  <TG_uM>
0.063000

>  <RL_uM>
0.520000

>  <set>
0

$$$$
9-13h
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-13h

>  <Family>
J.1

>  <PC_uM>
0.150000

>  <TG_uM>
0.030000

>  <RL_uM>
0.180000

>  <set>
0

$$$$
9-13i
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-13i

>  <Family>
J.1

>  <PC_uM>
0.068000

>  <TG_uM>
0.090000

>  <RL_uM>
0.190000

>  <set>
0

$$$$
9-13j
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 36 38  0  0  0  0  0  0  0  0999 V2000
   -5.0416   -0.9023    0.4691 N   0  0  0  0  0  0
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M  END
>  <Name>
9-13j

>  <Family>
J.1

>  <PC_uM>
0.360000

>  <TG_uM>
0.090000

>  <RL_uM>
0.370000

>  <set>
0

$$$$
9-13k
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
   -5.2472   -0.5436   -0.1384 N   0  0  0  0  0  0
   -4.9470   -1.8322   -0.0875 C   0  0  0  0  0  0
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M  END
>  <Name>
9-13k

>  <Family>
J.1

>  <PC_uM>
0.110000

>  <TG_uM>
0.032000

>  <RL_uM>
0.072000

>  <set>
1

$$$$
9-13l
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
   -4.6897   -2.4902    1.2806 N   0  0  0  0  0  0
   -4.5021   -3.7846    1.0733 C   0  0  0  0  0  0
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M  END
>  <Name>
9-13l

>  <Family>
J.1

>  <PC_uM>
0.038000

>  <TG_uM>
0.023000

>  <RL_uM>
0.150000

>  <set>
1

$$$$
9-13m
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
   -5.1076   -0.4007    0.5324 N   0  0  0  0  0  0
   -4.8563   -1.6135    1.0009 C   0  0  0  0  0  0
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M  END
>  <Name>
9-13m

>  <Family>
J.1

>  <PC_uM>
1.000000

>  <TG_uM>
0.100000

>  <RL_uM>
0.320000

>  <set>
0

$$$$
9-13n
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-13n

>  <Family>
J.1

>  <PC_uM>
0.011000

>  <TG_uM>
0.014000

>  <RL_uM>
0.010000

>  <set>
0

$$$$
9-13o
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 48 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-13o

>  <Family>
J.1

>  <PC_uM>
0.700000

>  <TG_uM>
0.028000

>  <RL_uM>
0.460000

>  <set>
0

$$$$
9-13p
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-13p

>  <Family>
J.1

>  <PC_uM>
0.049000

>  <TG_uM>
0.003500

>  <RL_uM>
0.031000

>  <set>
0

$$$$
9-13q
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 49 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-13q

>  <Family>
J.1

>  <PC_uM>
0.013000

>  <TG_uM>
0.002700

>  <RL_uM>
0.005400

>  <set>
0

$$$$
9-13r
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
   -5.3457   -0.7877   -0.7707 N   0  0  0  0  0  0
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M  END
>  <Name>
9-13r

>  <Family>
J.1

>  <PC_uM>
0.044000

>  <TG_uM>
0.022000

>  <RL_uM>
0.020000

>  <set>
1

$$$$
9-13s
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
   -5.2111   -1.9368    0.9670 N   0  0  0  0  0  0
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M  END
>  <Name>
9-13s

>  <Family>
J.1

>  <PC_uM>
0.020000

>  <TG_uM>
0.018000

>  <RL_uM>
0.017000

>  <set>
1

$$$$
9-13t
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-13t

>  <Family>
J.1

>  <PC_uM>
0.064000

>  <TG_uM>
0.026000

>  <RL_uM>
0.135000

>  <set>
2

$$$$
9-13u
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 48  0  0  0  0  0  0  0  0999 V2000
   -5.5403   -0.5761    0.5539 N   0  0  0  0  0  0
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M  END
>  <Name>
9-13u

>  <Family>
J.1

>  <PC_uM>
0.340000

>  <TG_uM>
0.007900

>  <RL_uM>
0.770000

>  <set>
1

$$$$
9-14a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 45  0  0  0  0  0  0  0  0999 V2000
   -4.6710   -1.9473    0.7243 N   0  0  0  0  0  0
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M  END
>  <Name>
9-14a

>  <Family>
J.1

>  <PC_uM>
0.030000

>  <TG_uM>
0.016000

>  <RL_uM>
0.120000

>  <set>
1

$$$$
9-14b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
   -5.2194   -1.9138    0.6867 N   0  0  0  0  0  0
   -5.0255   -3.1917    0.3986 C   0  0  0  0  0  0
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M  END
>  <Name>
9-14b

>  <Family>
J.1

>  <PC_uM>
0.170000

>  <TG_uM>
0.007200

>  <RL_uM>
0.029000

>  <set>
1

$$$$
9-14c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-14c

>  <Family>
J.1

>  <PC_uM>
0.068000

>  <TG_uM>
0.015000

>  <RL_uM>
0.160000

>  <set>
0

$$$$
9-14d
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-14d

>  <Family>
J.1

>  <PC_uM>
0.091000

>  <TG_uM>
0.010000

>  <RL_uM>
0.061000

>  <set>
0

$$$$
9-14e
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 48 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-14e

>  <Family>
J.1

>  <PC_uM>
0.350000

>  <TG_uM>
0.053000

>  <RL_uM>
0.230000

>  <set>
0

$$$$
9-14f
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 48 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-14f

>  <Family>
J.1

>  <PC_uM>
0.050000

>  <TG_uM>
0.004000

>  <RL_uM>
0.013000

>  <set>
0

$$$$
9-14g
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-14g

>  <Family>
J.1

>  <PC_uM>
0.051000

>  <TG_uM>
0.002700

>  <RL_uM>
0.006500

>  <set>
0

$$$$
9-14h
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 48 50  0  0  0  0  0  0  0  0999 V2000
   -5.0445   -1.6303    1.8306 N   0  0  0  0  0  0
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M  END
>  <Name>
9-14h

>  <Family>
J.1

>  <PC_uM>
0.320000

>  <TG_uM>
0.002900

>  <RL_uM>
0.004400

>  <set>
0

$$$$
9-14i
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 51 53  0  0  0  0  0  0  0  0999 V2000
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 27 50  1  0  0  0
 27 51  1  0  0  0
M  END
>  <Name>
9-14i

>  <Family>
J.1

>  <PC_uM>
0.125000

>  <TG_uM>
0.022000

>  <RL_uM>
0.370000

>  <set>
0

$$$$
9-14j
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 54 56  0  0  0  0  0  0  0  0999 V2000
   -5.4398    0.2049    0.9639 N   0  0  0  0  0  0
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M  END
>  <Name>
9-14j

>  <Family>
J.1

>  <PC_uM>
0.167000

>  <TG_uM>
0.029000

>  <RL_uM>
0.530000

>  <set>
0

$$$$
9-14k
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 47 49  0  0  0  0  0  0  0  0999 V2000
   -4.5837   -1.5213    1.5086 N   0  0  0  0  0  0
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M  END
>  <Name>
9-14k

>  <Family>
J.1

>  <PC_uM>
0.093000

>  <TG_uM>
0.038000

>  <RL_uM>
0.230000

>  <set>
0

$$$$
9-14l
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 46  0  0  0  0  0  0  0  0999 V2000
   -4.6292   -2.6458    0.9189 N   0  0  0  0  0  0
   -4.5988   -3.6548    0.0615 C   0  0  0  0  0  0
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M  END
>  <Name>
9-14l

>  <Family>
J.1

>  <PC_uM>
0.100000

>  <TG_uM>
0.026000

>  <RL_uM>
0.130000

>  <set>
0

$$$$
9-14m
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 49  0  0  0  0  0  0  0  0999 V2000
   -4.5268   -2.3219    1.6574 N   0  0  0  0  0  0
   -4.5667   -3.5566    1.1804 C   0  0  0  0  0  0
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M  END
>  <Name>
9-14m

>  <Family>
J.1

>  <PC_uM>
0.150000

>  <TG_uM>
0.016000

>  <RL_uM>
0.140000

>  <set>
1

$$$$
9-15a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-15a

>  <Family>
J.1

>  <PC_uM>
0.260000

>  <TG_uM>
0.150000

>  <RL_uM>
0.230000

>  <set>
1

$$$$
9-15b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
9-15b

>  <Family>
J.1

>  <PC_uM>
0.970000

>  <TG_uM>
0.300000

>  <RL_uM>
0.720000

>  <set>
0

$$$$
9-15c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
9-15c

>  <Family>
J.1

>  <PC_uM>
2.000000

>  <TG_uM>
0.130000

>  <RL_uM>
0.810000

>  <set>
0

$$$$
9-16d
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 44  0  0  0  0  0  0  0  0999 V2000
   -5.1436   -0.7906   -0.4527 N   0  0  0  0  0  0
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M  END
>  <Name>
9-16d

>  <Family>
J.1

>  <PC_uM>
0.750000

>  <TG_uM>
0.140000

>  <RL_uM>
0.460000

>  <set>
0

$$$$
25-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
25-9

>  <Family>
J.1

>  <PC_uM>
2.700000

>  <TG_uM>
0.520000

>  <RL_uM>
2.100000

>  <set>
1

$$$$
25-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
25-10

>  <Family>
J.1

>  <PC_uM>
0.068000

>  <TG_uM>
0.032000

>  <RL_uM>
0.140000

>  <set>
0

$$$$
25-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
25-11

>  <Family>
J.1

>  <PC_uM>
14.100000

>  <TG_uM>
0.350000

>  <RL_uM>
3.300000

>  <set>
0

$$$$
25-12
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 49 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
25-12

>  <Family>
J.1

>  <PC_uM>
0.061000

>  <TG_uM>
0.014000

>  <RL_uM>
0.033000

>  <set>
2

$$$$
25-13
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 49 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
25-13

>  <Family>
J.1

>  <PC_uM>
9.200000

>  <TG_uM>
0.194000

>  <RL_uM>
1.270000

>  <set>
1

$$$$
25-14
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
25-14

>  <Family>
J.1

>  <PC_uM>
15.300000

>  <TG_uM>
0.670000

>  <RL_uM>
3.240000

>  <set>
0

$$$$
25-15
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 49 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
25-15

>  <Family>
J.1

>  <PC_uM>
0.079000

>  <TG_uM>
0.026000

>  <RL_uM>
0.030000

>  <set>
0

$$$$
25-16
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
25-16

>  <Family>
J.1

>  <PC_uM>
20.700000

>  <TG_uM>
0.230000

>  <RL_uM>
1.200000

>  <set>
1

$$$$
25-17
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
25-17

>  <Family>
J.1

>  <PC_uM>
5.500000

>  <TG_uM>
0.480000

>  <RL_uM>
1.100000

>  <set>
0

$$$$
25-18
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
25-18

>  <Family>
J.1

>  <PC_uM>
4.800000

>  <TG_uM>
0.730000

>  <RL_uM>
1.500000

>  <set>
0

$$$$
25-19
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
25-19

>  <Family>
J.1

>  <PC_uM>
5.700000

>  <TG_uM>
1.200000

>  <RL_uM>
3.400000

>  <set>
1

$$$$
25-20
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
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 25 44  1  0  0  0
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M  END
>  <Name>
25-20

>  <Family>
J.1

>  <PC_uM>
0.076000

>  <TG_uM>
0.031000

>  <RL_uM>
0.072000

>  <set>
0

$$$$
25-21
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
25-21

>  <Family>
J.1

>  <PC_uM>
3.800000

>  <TG_uM>
0.310000

>  <RL_uM>
0.350000

>  <set>
1

$$$$
25-22
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
   -4.3324   -1.4868    0.2042 N   0  0  0  0  0  0
   -4.5963   -2.4917    1.0360 C   0  0  0  0  0  0
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M  END
>  <Name>
25-22

>  <Family>
J.1

>  <PC_uM>
0.084000

>  <TG_uM>
0.006300

>  <RL_uM>
0.057000

>  <set>
0

$$$$
25-23
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
25-23

>  <Family>
J.1

>  <PC_uM>
3.900000

>  <TG_uM>
0.980000

>  <RL_uM>
0.240000

>  <set>
0

$$$$
25-24
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
25-24

>  <Family>
J.1

>  <PC_uM>
8.200000

>  <TG_uM>
0.380000

>  <RL_uM>
0.430000

>  <set>
2

$$$$
25-25
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 47  0  0  0  0  0  0  0  0999 V2000
   -4.4601   -3.4385    0.6277 N   0  0  0  0  0  0
   -4.4280   -3.8212    1.9018 C   0  0  0  0  0  0
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M  END
>  <Name>
25-25

>  <Family>
J.1

>  <PC_uM>
15.400000

>  <TG_uM>
0.710000

>  <RL_uM>
0.370000

>  <set>
0

$$$$
25-26
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
25-26

>  <Family>
J.1

>  <PC_uM>
24.300000

>  <TG_uM>
3.700000

>  <RL_uM>
2.900000

>  <set>
0

$$$$
25-27
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
25-27

>  <Family>
J.1

>  <PC_uM>
1.940000

>  <TG_uM>
4.450000

>  <RL_uM>
0.280000

>  <set>
0

$$$$
25-28
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
25-28

>  <Family>
J.1

>  <PC_uM>
1.800000

>  <TG_uM>
0.920000

>  <RL_uM>
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>  <set>
2

$$$$
26-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
26-7

>  <Family>
J.1

>  <PC_uM>
0.350000

>  <TG_uM>
0.033000

>  <RL_uM>
0.230000

>  <set>
1

$$$$
26-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
26-8

>  <Family>
J.1

>  <PC_uM>
1.800000

>  <TG_uM>
0.600000

>  <RL_uM>
3.500000

>  <set>
1

$$$$
26-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
26-9

>  <Family>
J.1

>  <PC_uM>
0.620000

>  <TG_uM>
0.075000

>  <RL_uM>
0.170000

>  <set>
2

$$$$
26-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 51 54  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
26-10

>  <Family>
J.1

>  <PC_uM>
0.640000

>  <TG_uM>
0.068000

>  <RL_uM>
0.440000

>  <set>
0

$$$$
27-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
27-5

>  <Family>
J.1

>  <PC_uM>
0.080000

>  <TG_uM>
0.017000

>  <RL_uM>
0.170000

>  <set>
0

$$$$
27-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
27-6

>  <Family>
J.1

>  <PC_uM>
0.117000

>  <TG_uM>
0.023000

>  <RL_uM>
0.169000

>  <set>
0

$$$$
27-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
   -5.0390   -1.5123   -0.8481 N   0  0  0  0  0  0
   -4.7169   -2.7833   -0.6637 C   0  0  0  0  0  0
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M  END
>  <Name>
27-7

>  <Family>
J.1

>  <PC_uM>
0.068900

>  <TG_uM>
0.007400

>  <RL_uM>
0.080100

>  <set>
0

$$$$
27-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
27-8

>  <Family>
J.1

>  <PC_uM>
0.095400

>  <TG_uM>
0.012000

>  <RL_uM>
0.055600

>  <set>
0

$$$$
27-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
27-9

>  <Family>
J.1

>  <PC_uM>
0.047000

>  <TG_uM>
0.007100

>  <RL_uM>
0.088000

>  <set>
0

$$$$
27-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
27-10

>  <Family>
J.1

>  <PC_uM>
0.023000

>  <TG_uM>
0.011000

>  <RL_uM>
0.037000

>  <set>
0

$$$$
27-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
27-11

>  <Family>
J.1

>  <PC_uM>
0.055400

>  <TG_uM>
0.019000

>  <RL_uM>
0.051000

>  <set>
0

$$$$
27-12
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
27-12

>  <Family>
J.1

>  <PC_uM>
0.080800

>  <TG_uM>
0.009500

>  <RL_uM>
0.034900

>  <set>
0

$$$$
27-13
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
   -4.2423   -0.3611   -1.4755 N   0  0  0  0  0  0
   -4.5894   -1.6189   -1.2524 C   0  0  0  0  0  0
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M  END
>  <Name>
27-13

>  <Family>
J.1

>  <PC_uM>
0.030000

>  <TG_uM>
0.006300

>  <RL_uM>
0.018000

>  <set>
0

$$$$
27-14
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
27-14

>  <Family>
J.1

>  <PC_uM>
0.035000

>  <TG_uM>
0.007300

>  <RL_uM>
0.013000

>  <set>
0

$$$$
27-15
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
27-15

>  <Family>
J.1

>  <PC_uM>
0.084000

>  <TG_uM>
0.018000

>  <RL_uM>
0.100000

>  <set>
0

$$$$
27-16
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
27-16

>  <Family>
J.1

>  <PC_uM>
0.029000

>  <TG_uM>
0.005400

>  <RL_uM>
0.026000

>  <set>
0

$$$$
27-17
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
27-17

>  <Family>
J.1

>  <PC_uM>
0.037000

>  <TG_uM>
0.030000

>  <RL_uM>
0.036000

>  <set>
0

$$$$
10-2b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
10-2b

>  <Family>
J.1

>  <PC_uM>
5.450000

>  <TG_uM>
1.900000

>  <RL_uM>
3.900000

>  <set>
2

$$$$
10-2c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
10-2c

>  <Family>
J.1

>  <PC_uM>
0.250000

>  <TG_uM>
0.056000

>  <RL_uM>
0.230000

>  <set>
1

$$$$
28-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 49 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
28-3

>  <Family>
J.1

>  <PC_uM>
0.240000

>  <TG_uM>
0.009000

>  <RL_uM>
0.280000

>  <set>
1

$$$$
28-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
28-4

>  <Family>
J.1

>  <PC_uM>
0.190000

>  <TG_uM>
0.049000

>  <RL_uM>
0.120000

>  <set>
0

$$$$
28-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
28-5

>  <Family>
J.1

>  <PC_uM>
18.500000

>  <TG_uM>
1.100000

>  <RL_uM>
7.400000

>  <set>
0

$$$$
28-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
28-6

>  <Family>
J.1

>  <PC_uM>
>5.0

>  <TG_uM>
1.400000

>  <RL_uM>
12.900000

>  <set>
0

$$$$
28-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
28-7

>  <Family>
J.1

>  <PC_uM>
2.600000

>  <TG_uM>
1.400000

>  <RL_uM>
2.100000

>  <set>
1

$$$$
28-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
28-8

>  <Family>
J.1

>  <PC_uM>
5.300000

>  <TG_uM>
1.500000

>  <RL_uM>
11.800000

>  <set>
2

$$$$
28-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 47 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
28-9

>  <Family>
J.1

>  <PC_uM>
5.000000

>  <TG_uM>
0.200000

>  <RL_uM>
1.140000

>  <set>
2

$$$$
28-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
28-10

>  <Family>
J.1

>  <PC_uM>
1.400000

>  <TG_uM>
0.200000

>  <RL_uM>
0.610000

>  <set>
0

$$$$
28-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 41  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
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M  END
>  <Name>
28-11

>  <Family>
J.1

>  <PC_uM>
0.290000

>  <TG_uM>
0.250000

>  <RL_uM>
0.260000

>  <set>
1

$$$$
29-2-piritrexim
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 45  0  0  0  0  0  0  0  0999 V2000
   -4.3845   -0.4969    3.4102 N   0  0  0  0  0  0
   -4.4306   -1.7845    3.1041 C   0  0  0  0  0  0
   -3.3855   -2.4884    2.6985 N   0  0  0  0  0  0
   -2.2179   -1.8763    2.5938 C   0  0  0  0  0  0
   -2.0153   -0.5227    2.8877 C   0  0  0  0  0  0
   -3.2006    0.1268    3.3019 C   0  0  0  0  0  0
   -1.2356   -2.6691    2.1796 N   0  0  0  0  0  0
    0.0057   -2.1612    2.0278 C   0  0  0  0  0  0
    0.3522   -0.8431    2.2789 C   0  0  0  0  0  0
   -0.6743    0.0083    2.7315 C   0  0  0  0  0  0
    1.7924   -0.4241    2.0501 C   0  0  0  0  0  0
   -3.2581    1.4705    3.6433 N   0  0  0  0  0  0
   -5.6263   -2.4247    3.2153 N   0  0  0  0  0  0
   -0.3749    1.4546    3.0427 C   0  0  0  0  0  0
    2.0473    0.4616    0.8400 C   0  0  0  0  0  0
    1.3503    0.2433   -0.3660 C   0  0  0  0  0  0
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    3.2734    2.2407   -0.2617 C   0  0  0  0  0  0
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    3.7158    1.6026    2.0594 O   0  0  0  0  0  0
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    4.4007    3.5711    1.9486 H   0  0  0  0  0  0
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    0.7318    2.5752   -3.5188 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
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M  END
>  <Name>
29-2-piritrexim

>  <Family>
J.1

>  <PC_uM>
0.031000

>  <TG_uM>
0.017000

>  <RL_uM>
0.001500

>  <set>
2

$$$$
26-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 50 53  0  0  0  0  0  0  0  0999 V2000
   -5.5670   -0.6330    0.7104 N   0  0  0  0  0  0
   -5.4536   -1.8945    0.3244 C   0  0  0  0  0  0
   -4.2994   -2.4927    0.0760 N   0  0  0  0  0  0
   -3.1866   -1.7924    0.2153 C   0  0  0  0  0  0
   -3.1497   -0.4512    0.6062 C   0  0  0  0  0  0
   -4.4374    0.0778    0.8545 C   0  0  0  0  0  0
   -2.0846   -2.4818   -0.0543 N   0  0  0  0  0  0
   -0.8774   -1.8849    0.0640 C   0  0  0  0  0  0
   -0.6800   -0.5708    0.4528 C   0  0  0  0  0  0
   -1.8481    0.1846    0.7035 C   0  0  0  0  0  0
    0.7102    0.0312    0.5647 C   0  0  0  0  0  0
   -4.6626    1.3827    1.2677 N   0  0  0  0  0  0
   -6.5943   -2.6208    0.1751 N   0  0  0  0  0  0
   -1.7383    1.6460    1.0741 C   0  0  0  0  0  0
    1.9315   -0.9071    0.4738 C   0  0  0  0  0  0
    2.1171   -1.7968    1.7268 C   0  0  0  0  0  0
    3.0079   -1.0195    2.7058 C   0  0  0  0  0  0
    3.8273   -0.1994    1.7607 C   0  0  0  0  0  0
    3.2267   -0.1300    0.5005 C   0  0  0  0  0  0
    5.0043    0.4778    2.0290 C   0  0  0  0  0  0
    5.5943    1.2348    1.0087 C   0  0  0  0  0  0
    5.0079    1.3113   -0.2668 C   0  0  0  0  0  0
    3.8204    0.6007   -0.5205 C   0  0  0  0  0  0
    5.5019    2.0506   -1.3114 O   0  0  0  0  0  0
    6.7035    2.7826   -1.0799 C   0  0  0  0  0  0
    3.1912    0.6713   -1.7359 O   0  0  0  0  0  0
    3.7802   -0.2603   -2.6502 C   0  0  0  0  0  0
   -0.0492   -2.5465   -0.1786 H   0  0  0  0  0  0
    0.7714    0.5680    1.5208 H   0  0  0  0  0  0
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   -4.4399    2.0950    0.5769 H   0  0  0  0  0  0
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    6.5134    1.7642    1.2478 H   0  0  0  0  0  0
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  1  2  2  0  0  0
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  2  3  1  0  0  0
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  3  4  2  0  0  0
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 26 27  1  0  0  0
 27 48  1  0  0  0
 27 49  1  0  0  0
 27 50  1  0  0  0
M  END
>  <Name>
26-4

>  <Family>
J.2

>  <PC_uM>
0.410000

>  <TG_uM>
0.049000

>  <RL_uM>
0.230000

>  <set>
1

$$$$
26-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 47  0  0  0  0  0  0  0  0999 V2000
   -5.3351   -1.8961    1.8709 N   0  0  0  0  0  0
   -5.0765   -3.1881    1.7383 C   0  0  0  0  0  0
   -3.8613   -3.6894    1.5838 N   0  0  0  0  0  0
   -2.8360   -2.8551    1.5594 C   0  0  0  0  0  0
   -2.9548   -1.4661    1.6879 C   0  0  0  0  0  0
   -4.2955   -1.0473    1.8463 C   0  0  0  0  0  0
   -1.6626   -3.4571    1.3998 N   0  0  0  0  0  0
   -0.5375   -2.7130    1.3576 C   0  0  0  0  0  0
   -0.5035   -1.3329    1.4725 C   0  0  0  0  0  0
   -1.7378   -0.6777    1.6432 C   0  0  0  0  0  0
    0.8408   -0.6399    1.3945 C   0  0  0  0  0  0
   -4.6709    0.2803    1.9915 N   0  0  0  0  0  0
   -6.1258   -4.0538    1.7625 N   0  0  0  0  0  0
   -1.7876    0.8244    1.7826 C   0  0  0  0  0  0
    1.1215    0.0015    0.0244 C   0  0  0  0  0  0
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    3.2788    0.2802   -0.9446 C   0  0  0  0  0  0
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  1  2  2  0  0  0
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M  END
>  <Name>
26-5

>  <Family>
J.2

>  <PC_uM>
0.570000

>  <TG_uM>
0.077000

>  <RL_uM>
0.470000

>  <set>
2

$$$$
26-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 52 55  0  0  0  0  0  0  0  0999 V2000
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   -3.5483    1.7181   -0.1254 C   0  0  0  0  0  0
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M  END
>  <Name>
26-6

>  <Family>
J.2

>  <PC_uM>
0.850000

>  <TG_uM>
0.110000

>  <RL_uM>
0.130000

>  <set>
2

$$$$
30-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 48  0  0  0  0  0  0  0  0999 V2000
   -2.9924   -0.9163    4.3285 N   0  0  0  0  0  0
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M  END
>  <Name>
30-3

>  <Family>
J.2

>  <PC_uM>
0.250000

>  <TG_uM>
0.057000

>  <RL_uM>
0.170000

>  <set>
1

$$$$
30-2
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
30-2

>  <Family>
J.2

>  <PC_uM>
0.290000

>  <TG_uM>
0.048000

>  <RL_uM>
0.150000

>  <set>
0

$$$$
30-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 49 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
30-4

>  <Family>
J.2

>  <PC_uM>
0.410000

>  <TG_uM>
0.049000

>  <RL_uM>
0.230000

>  <set>
0

$$$$
18-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 50  0  0  0  0  0  0  0  0999 V2000
   -4.5114    1.1093   -0.1747 N   0  0  0  0  0  0
   -4.6127   -0.1406   -0.6211 C   0  0  0  0  0  0
   -3.5886   -0.9750   -0.7729 N   0  0  0  0  0  0
   -2.3769   -0.5340   -0.4696 C   0  0  0  0  0  0
   -2.1505    0.7535    0.0060 C   0  0  0  0  0  0
   -3.2899    1.5454    0.1555 C   0  0  0  0  0  0
   -3.2266    2.8578    0.5885 N   0  0  0  0  0  0
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    0.2438    0.2658    0.1052 C   0  0  0  0  0  0
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    3.1368   -1.0035    1.3639 C   0  0  0  0  0  0
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M  END
>  <Name>
18-3

>  <Family>
J.2

>  <PC_uM>
0.043000

>  <TG_uM>
0.040000

>  <RL_uM>
0.190000

>  <set>
2

$$$$
26-2
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 49  0  0  0  0  0  0  0  0999 V2000
   -5.3813   -1.9183    1.7856 N   0  0  0  0  0  0
   -5.0935   -3.2107    1.7736 C   0  0  0  0  0  0
   -3.8625   -3.6964    1.7471 N   0  0  0  0  0  0
   -2.8514   -2.8446    1.7327 C   0  0  0  0  0  0
   -3.0010   -1.4528    1.7448 C   0  0  0  0  0  0
   -4.3562   -1.0519    1.7706 C   0  0  0  0  0  0
   -1.6602   -3.4319    1.7052 N   0  0  0  0  0  0
   -0.5471   -2.6693    1.6851 C   0  0  0  0  0  0
   -0.5426   -1.2839    1.6942 C   0  0  0  0  0  0
   -1.7963   -0.6445    1.7289 C   0  0  0  0  0  0
    0.7914   -0.5708    1.6529 C   0  0  0  0  0  0
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   -1.8802    0.8625    1.7539 C   0  0  0  0  0  0
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M  END
>  <Name>
26-2

>  <Family>
J.2

>  <PC_uM>
0.290000

>  <TG_uM>
0.048000

>  <RL_uM>
0.150000

>  <set>
1

$$$$
26-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
26-3

>  <Family>
J.2

>  <PC_uM>
0.250000

>  <TG_uM>
0.057000

>  <RL_uM>
0.170000

>  <set>
0

$$$$
10-18b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
10-18b

>  <Family>
J.2

>  <PC_uM>
>104

>  <TG_uM>
>104

>  <RL_uM>
>104

>  <set>
1

$$$$
10-18c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 26 27  0  0  0  0  0  0  0  0999 V2000
   -3.1251   -0.0617    0.1887 N   0  0  0  0  0  0
   -3.0159   -1.3806    0.2385 C   0  0  0  0  0  0
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M  END
>  <Name>
10-18c

>  <Family>
J.2

>  <PC_uM>
10.500000

>  <TG_uM>
3.200000

>  <RL_uM>
8.500000

>  <set>
2

$$$$
31-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
31-4

>  <Family>
J.3

>  <PC_uM>
16.000000

>  <TG_uM>
1.400000

>  <RL_uM>
N/A

>  <set>
1

$$$$
31-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 60 63  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
31-3

>  <Family>
J.3

>  <PC_uM>
1.800000

>  <TG_uM>
0.900000

>  <RL_uM>
N/A

>  <set>
1

$$$$
31-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 48  0  0  0  0  0  0  0  0999 V2000
   -5.0485   -1.3194    1.5668 N   0  0  0  0  0  0
   -4.6752   -2.5836    1.3884 C   0  0  0  0  0  0
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M  END
>  <Name>
31-5

>  <Family>
J.3

>  <PC_uM>
>15

>  <TG_uM>
2.900000

>  <RL_uM>
N/A

>  <set>
2

$$$$
31-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 49 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
31-6

>  <Family>
J.3

>  <PC_uM>
14.000000

>  <TG_uM>
2.700000

>  <RL_uM>
N/A

>  <set>
1

$$$$
31-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
31-7

>  <Family>
J.3

>  <PC_uM>
4.000000

>  <TG_uM>
2.100000

>  <RL_uM>
N/A

>  <set>
2

$$$$
31-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
31-8

>  <Family>
J.3

>  <PC_uM>
5.000000

>  <TG_uM>
5.100000

>  <RL_uM>
N/A

>  <set>
1

$$$$
31-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
31-9

>  <Family>
J.3

>  <PC_uM>
>15

>  <TG_uM>
22.000000

>  <RL_uM>
N/A

>  <set>
2

$$$$
23-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
23-7

>  <Family>
K

>  <PC_uM>
>2.6

>  <TG_uM>
N/A

>  <RL_uM>
>2.6

>  <set>
1

$$$$
23-8b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
23-8b

>  <Family>
L

>  <PC_uM>
>1.2

>  <TG_uM>
N/A

>  <RL_uM>
>1.2

>  <set>
2

$$$$
23-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
23-8

>  <Family>
L

>  <PC_uM>
>3700

>  <TG_uM>
N/A

>  <RL_uM>
3700.000000

>  <set>
1

$$$$
28-12
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
28-12

>  <Family>
L

>  <PC_uM>
61.700000

>  <TG_uM>
0.470000

>  <RL_uM>
6.100000

>  <set>
2

$$$$
28-13
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 47 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
28-13

>  <Family>
L

>  <PC_uM>
7.700000

>  <TG_uM>
1.100000

>  <RL_uM>
2.100000

>  <set>
0

$$$$
32-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
32-8

>  <Family>
M

>  <PC_uM>
3.300000

>  <TG_uM>
0.300000

>  <RL_uM>
1.400000

>  <set>
2

$$$$
32-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 48 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
32-9

>  <Family>
M

>  <PC_uM>
6.900000

>  <TG_uM>
0.200000

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>  <set>
1

$$$$
32-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
32-10

>  <Family>
M

>  <PC_uM>
0.510000

>  <TG_uM>
0.090000

>  <RL_uM>
0.350000

>  <set>
1

$$$$
32-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
32-11

>  <Family>
M

>  <PC_uM>
30.000000

>  <TG_uM>
3.200000

>  <RL_uM>
9.500000

>  <set>
1

$$$$
32-12
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
32-12

>  <Family>
M

>  <PC_uM>
9.300000

>  <TG_uM>
1.700000

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0.940000

>  <set>
1

$$$$
33-1
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
33-1

>  <Family>
N.1

>  <PC_uM>
0.900000

>  <TG_uM>
0.700000

>  <RL_uM>
1.300000

>  <set>
2

$$$$
33-2
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
33-2

>  <Family>
N.1

>  <PC_uM>
0.035000

>  <TG_uM>
19.800000

>  <RL_uM>
0.430000

>  <set>
0

$$$$
33-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
33-3

>  <Family>
N.1

>  <PC_uM>
>4

>  <TG_uM>
>4

>  <RL_uM>
>37.0

>  <set>
1

$$$$
33-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
33-4

>  <Family>
N.1

>  <PC_uM>
8.300000

>  <TG_uM>
>3.9

>  <RL_uM>
25.600000

>  <set>
0

$$$$
33-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
33-5

>  <Family>
N.1

>  <PC_uM>
>35

>  <TG_uM>
89.300000

>  <RL_uM>
35.200000

>  <set>
0

$$$$
33-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
   -3.4913   -1.9358   -1.1128 N   0  0  0  0  0  0
   -3.6184   -3.2722   -1.1375 C   0  0  0  0  0  0
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M  END
>  <Name>
33-6

>  <Family>
N.1

>  <PC_uM>
>21

>  <TG_uM>
>21

>  <RL_uM>
>21

>  <set>
1

$$$$
34-1
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
   -4.0617   -2.4592    0.5435 N   0  0  0  0  0  0
   -3.9662   -3.7785    0.3188 C   0  0  0  0  0  0
   -2.8406   -4.4503    0.0673 N   0  0  0  0  0  0
   -1.7551   -3.6635    0.0501 C   0  0  0  0  0  0
   -1.7153   -2.2927    0.2580 C   0  0  0  0  0  0
   -2.9525   -1.6837    0.5249 C   0  0  0  0  0  0
   -0.4804   -4.1041   -0.1755 N   0  0  0  0  0  0
    0.3871   -3.0435   -0.1173 C   0  0  0  0  0  0
   -0.3395   -1.8879    0.1324 C   0  0  0  0  0  0
    0.1938   -0.4877    0.2713 C   0  0  0  0  0  0
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   -5.1242   -4.4959    0.3538 N   0  0  0  0  0  0
    3.4879    1.0454   -0.7327 C   0  0  0  0  0  0
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 25 45  1  0  0  0
M  END
>  <Name>
34-1

>  <Family>
N.1

>  <PC_uM>
>23

>  <TG_uM>
8.100000

>  <RL_uM>
56.300000

>  <set>
2

$$$$
34-2
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
   -4.1155   -2.4471   -0.2735 N   0  0  0  0  0  0
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    0.3505   -3.1666   -0.5983 C   0  0  0  0  0  0
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M  END
>  <Name>
34-2

>  <Family>
N.1

>  <PC_uM>
119.000000

>  <TG_uM>
4.300000

>  <RL_uM>
116.000000

>  <set>
0

$$$$
34-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
34-3

>  <Family>
N.1

>  <PC_uM>
279.000000

>  <TG_uM>
6.000000

>  <RL_uM>
63.000000

>  <set>
1

$$$$
34-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
34-4

>  <Family>
N.1

>  <PC_uM>
45.700000

>  <TG_uM>
1.700000

>  <RL_uM>
156.000000

>  <set>
1

$$$$
34-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 47 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
34-5

>  <Family>
N.1

>  <PC_uM>
>21

>  <TG_uM>
5.300000

>  <RL_uM>
70.000000

>  <set>
0

$$$$
34-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
34-6

>  <Family>
N.1

>  <PC_uM>
35.300000

>  <TG_uM>
1.400000

>  <RL_uM>
14.400000

>  <set>
0

$$$$
34-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
34-7

>  <Family>
N.1

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$$$$
34-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
34-8

>  <Family>
N.1

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252.000000

>  <TG_uM>
3.900000

>  <RL_uM>
>252

>  <set>
0

$$$$
34-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 49 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
34-9

>  <Family>
N.1

>  <PC_uM>
0.038000

>  <TG_uM>
0.210000

>  <RL_uM>
0.044000

>  <set>
0

$$$$
35-2
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
35-2

>  <Family>
N.1

>  <PC_uM>
>12

>  <TG_uM>
3.400000

>  <RL_uM>
>12

>  <set>
0

$$$$
35-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
35-3

>  <Family>
N.1

>  <PC_uM>
28.300000

>  <TG_uM>
1.000000

>  <RL_uM>
3.000000

>  <set>
2

$$$$
35-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 45  0  0  0  0  0  0  0  0999 V2000
   -4.3833   -1.3747    0.5904 N   0  0  0  0  0  0
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M  END
>  <Name>
35-4

>  <Family>
N.1

>  <PC_uM>
209.000000

>  <TG_uM>
0.870000

>  <RL_uM>
8.200000

>  <set>
0

$$$$
35-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
   -3.6968   -2.8283   -0.3157 N   0  0  0  0  0  0
   -3.6437   -4.1677   -0.2848 C   0  0  0  0  0  0
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M  END
>  <Name>
35-5

>  <Family>
N.1

>  <PC_uM>
11.100000

>  <TG_uM>
2.600000

>  <RL_uM>
16.700000

>  <set>
2

$$$$
35-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
35-6

>  <Family>
N.1

>  <PC_uM>
58.500000

>  <TG_uM>
11.600000

>  <RL_uM>
5.300000

>  <set>
1

$$$$
35-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
35-7

>  <Family>
N.1

>  <PC_uM>
10.600000

>  <TG_uM>
0.810000

>  <RL_uM>
3.000000

>  <set>
2

$$$$
35-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
35-8

>  <Family>
N.1

>  <PC_uM>
929.000000

>  <TG_uM>
9.200000

>  <RL_uM>
82.900000

>  <set>
0

$$$$
35-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
35-10

>  <Family>
N.1

>  <PC_uM>
0.044000

>  <TG_uM>
0.150000

>  <RL_uM>
0.060000

>  <set>
1

$$$$
36-7a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
36-7a

>  <Family>
N.1

>  <PC_uM>
>10

>  <TG_uM>
>10

>  <RL_uM>
>10

>  <set>
0

$$$$
36-7b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
36-7b

>  <Family>
N.1

>  <PC_uM>
>10

>  <TG_uM>
>10

>  <RL_uM>
>10

>  <set>
0

$$$$
36-7c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
36-7c

>  <Family>
N.1

>  <PC_uM>
>10

>  <TG_uM>
>10

>  <RL_uM>
>10

>  <set>
2

$$$$
36-7d
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 45  0  0  0  0  0  0  0  0999 V2000
   -4.8758   -1.7789    0.0535 N   0  0  0  0  0  0
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M  END
>  <Name>
36-7d

>  <Family>
N.1

>  <PC_uM>
>10

>  <TG_uM>
>10

>  <RL_uM>
>10

>  <set>
1

$$$$
36-7e
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
36-7e

>  <Family>
N.1

>  <PC_uM>
>10

>  <TG_uM>
>10

>  <RL_uM>
>10

>  <set>
2

$$$$
37-1e
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
37-1e

>  <Family>
N.1

>  <PC_uM>
>189

>  <TG_uM>
>130

>  <RL_uM>
270.000000

>  <set>
2

$$$$
38-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
38-3

>  <Family>
N.1

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>26

>  <TG_uM>
>26

>  <RL_uM>
252.000000

>  <set>
0

$$$$
38-4
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 Structure written by MMmdl.
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M  END
>  <Name>
38-4

>  <Family>
N.1

>  <PC_uM>
19.000000

>  <TG_uM>
19.000000

>  <RL_uM>
23.000000

>  <set>
0

$$$$
38-5
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 Structure written by MMmdl.
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M  END
>  <Name>
38-5

>  <Family>
N.1

>  <PC_uM>
0.650000

>  <TG_uM>
11.600000

>  <RL_uM>
12.300000

>  <set>
0

$$$$
38-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
38-6

>  <Family>
N.1

>  <PC_uM>
13.500000

>  <TG_uM>
37.000000

>  <RL_uM>
12.000000

>  <set>
0

$$$$
38-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
38-7

>  <Family>
N.1

>  <PC_uM>
41.000000

>  <TG_uM>
38.000000

>  <RL_uM>
36.500000

>  <set>
0

$$$$
38-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
38-8

>  <Family>
N.1

>  <PC_uM>
14.000000

>  <TG_uM>
>42

>  <RL_uM>
60.300000

>  <set>
2

$$$$
38-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
38-9

>  <Family>
N.1

>  <PC_uM>
>12

>  <TG_uM>
>12

>  <RL_uM>
>12

>  <set>
2

$$$$
38-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
38-10

>  <Family>
N.1

>  <PC_uM>
8.100000

>  <TG_uM>
32.400000

>  <RL_uM>
16.200000

>  <set>
1

$$$$
38-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
38-11

>  <Family>
N.1

>  <PC_uM>
7.700000

>  <TG_uM>
45.400000

>  <RL_uM>
137.000000

>  <set>
1

$$$$
38-12
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
38-12

>  <Family>
N.1

>  <PC_uM>
14.800000

>  <TG_uM>
23.600000

>  <RL_uM>
14.600000

>  <set>
2

$$$$
38-13
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
38-13

>  <Family>
N.1

>  <PC_uM>
50.900000

>  <TG_uM>
>47

>  <RL_uM>
71.900000

>  <set>
1

$$$$
38-14
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
38-14

>  <Family>
N.1

>  <PC_uM>
44.800000

>  <TG_uM>
>27

>  <RL_uM>
>27

>  <set>
1

$$$$
38-15
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
38-15

>  <Family>
N.1

>  <PC_uM>
284.000000

>  <TG_uM>
21.500000

>  <RL_uM>
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>  <set>
0

$$$$
38-16
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
38-16

>  <Family>
N.1

>  <PC_uM>
>31.3

>  <TG_uM>
>31.3

>  <RL_uM>
>31.3

>  <set>
0

$$$$
38-17
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
38-17

>  <Family>
N.1

>  <PC_uM>
>27

>  <TG_uM>
>27

>  <RL_uM>
>27

>  <set>
0

$$$$
39-3a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
39-3a

>  <Family>
N.1

>  <PC_uM>
1.200000

>  <TG_uM>
1.200000

>  <RL_uM>
N/A

>  <set>
1

$$$$
39-3b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
39-3b

>  <Family>
N.1

>  <PC_uM>
>19

>  <TG_uM>
>19

>  <RL_uM>
N/A

>  <set>
2

$$$$
40-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
40-3

>  <Family>
N.2

>  <PC_uM>
4.800000

>  <TG_uM>
0.130000

>  <RL_uM>
0.370000

>  <set>
1

$$$$
40-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
40-4

>  <Family>
N.2

>  <PC_uM>
14.000000

>  <TG_uM>
0.070000

>  <RL_uM>
0.400000

>  <set>
1

$$$$
40-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
40-5

>  <Family>
N.2

>  <PC_uM>
1.200000

>  <TG_uM>
3.300000

>  <RL_uM>
5.900000

>  <set>
2

$$$$
40-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
40-6

>  <Family>
N.2

>  <PC_uM>
>8

>  <TG_uM>
0.320000

>  <RL_uM>
1.800000

>  <set>
2

$$$$
40-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
40-7

>  <Family>
N.2

>  <PC_uM>
>8

>  <TG_uM>
0.630000

>  <RL_uM>
51.000000

>  <set>
1

$$$$
40-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
40-8

>  <Family>
N.2

>  <PC_uM>
>8

>  <TG_uM>
18.000000

>  <RL_uM>
25.000000

>  <set>
1

$$$$
40-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
40-9

>  <Family>
N.2

>  <PC_uM>
28.000000

>  <TG_uM>
5.800000

>  <RL_uM>
3.100000

>  <set>
1

$$$$
40-10
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 Structure written by MMmdl.
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 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  2  0  0  0
 16 32  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 33  1  0  0  0
 19 34  1  0  0  0
 19 35  1  0  0  0
 20 21  1  0  0  0
 21 36  1  0  0  0
 21 37  1  0  0  0
 21 38  1  0  0  0
 22 23  1  0  0  0
 22 39  1  0  0  0
 22 40  1  0  0  0
 23 24  1  0  0  0
 23 41  1  0  0  0
 23 42  1  0  0  0
 24 43  1  0  0  0
 24 44  1  0  0  0
M  END
>  <Name>
40-10

>  <Family>
N.2

>  <PC_uM>
55.000000

>  <TG_uM>
24.000000

>  <RL_uM>
26.000000

>  <set>
0

$$$$
40-table2-1
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 30 32  0  0  0  0  0  0  0  0999 V2000
   -4.0153    0.1188   -0.5659 N   0  0  0  0  0  0
   -4.0065   -1.0980   -0.0147 C   0  0  0  0  0  0
   -2.9389   -1.7150    0.4753 N   0  0  0  0  0  0
   -1.8097   -0.9971    0.3710 C   0  0  0  0  0  0
   -1.6734    0.2670   -0.1772 C   0  0  0  0  0  0
   -2.8708    0.8292   -0.6619 C   0  0  0  0  0  0
   -0.3498   -1.6369    0.9523 S   0  0  0  0  0  0
    0.5236   -0.2425    0.4892 C   0  0  0  0  0  0
   -0.2876    0.7106   -0.1157 C   0  0  0  0  0  0
    0.2014    2.0249   -0.6423 C   0  0  0  0  0  0
   -2.9787    2.0713   -1.2353 N   0  0  0  0  0  0
   -5.1962   -1.7584    0.0493 N   0  0  0  0  0  0
    1.9587   -0.1963    0.7784 C   0  0  0  0  0  0
    2.8631   -0.9686    0.0369 C   0  0  0  0  0  0
    4.2311   -0.9132    0.3135 C   0  0  0  0  0  0
    4.7051   -0.0855    1.3303 C   0  0  0  0  0  0
    3.8135    0.6886    2.0713 C   0  0  0  0  0  0
    2.4452    0.6349    1.7964 C   0  0  0  0  0  0
   -0.2526    2.8494   -0.0836 H   0  0  0  0  0  0
   -0.0538    2.1281   -1.7019 H   0  0  0  0  0  0
    1.2874    2.1289   -0.5628 H   0  0  0  0  0  0
   -2.1988    2.7020   -1.3440 H   0  0  0  0  0  0
   -3.8905    2.3850   -1.5462 H   0  0  0  0  0  0
   -5.2369   -2.6803    0.4579 H   0  0  0  0  0  0
   -6.0296   -1.3199   -0.3136 H   0  0  0  0  0  0
    2.5100   -1.6162   -0.7642 H   0  0  0  0  0  0
    4.9275   -1.5162   -0.2667 H   0  0  0  0  0  0
    5.7716   -0.0430    1.5450 H   0  0  0  0  0  0
    4.1833    1.3357    2.8648 H   0  0  0  0  0  0
    1.7611    1.2453    2.3842 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 19  1  0  0  0
 10 20  1  0  0  0
 10 21  1  0  0  0
 11 22  1  0  0  0
 11 23  1  0  0  0
 12 24  1  0  0  0
 12 25  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 15 16  2  0  0  0
 15 27  1  0  0  0
 16 17  1  0  0  0
 16 28  1  0  0  0
 17 18  2  0  0  0
 17 29  1  0  0  0
 18 30  1  0  0  0
M  END
>  <Name>
40-table2-1

>  <Family>
N.2

>  <PC_uM>
26.000000

>  <TG_uM>
3.900000

>  <RL_uM>
57.000000

>  <set>
1

$$$$
40-table2-2
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 30 32  0  0  0  0  0  0  0  0999 V2000
   -4.1538   -0.1285   -1.0027 N   0  0  0  0  0  0
   -3.9913   -1.4386   -1.2075 C   0  0  0  0  0  0
   -2.8561   -2.1082   -1.0537 N   0  0  0  0  0  0
   -1.8302   -1.3400   -0.6552 C   0  0  0  0  0  0
   -1.8568    0.0213   -0.4038 C   0  0  0  0  0  0
   -3.1111    0.6310   -0.6033 C   0  0  0  0  0  0
   -0.3021   -2.0367   -0.4133 S   0  0  0  0  0  0
    0.3833   -0.5385    0.0406 C   0  0  0  0  0  0
   -0.5455    0.4953    0.0174 C   0  0  0  0  0  0
   -0.2398    1.9151    0.3840 C   0  0  0  0  0  0
   -3.3714    1.9666   -0.4258 N   0  0  0  0  0  0
   -5.0852   -2.1438   -1.6094 N   0  0  0  0  0  0
    1.8088   -0.5020    0.3732 C   0  0  0  0  0  0
    2.2747   -1.0432    1.5779 C   0  0  0  0  0  0
    3.6354   -0.9983    1.8935 C   0  0  0  0  0  0
    4.5425   -0.4101    1.0088 C   0  0  0  0  0  0
    4.0838    0.1356   -0.1956 C   0  0  0  0  0  0
    2.7215    0.0898   -0.5104 C   0  0  0  0  0  0
    6.2113   -0.3868    1.4595 Cl  0  0  0  0  0  0
    5.1491    0.8814   -1.3361 Cl  0  0  0  0  0  0
    0.7867    2.0432    0.7396 H   0  0  0  0  0  0
   -0.9021    2.2506    1.1885 H   0  0  0  0  0  0
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   -5.9656   -1.6673   -1.7378 H   0  0  0  0  0  0
    1.5824   -1.5010    2.2833 H   0  0  0  0  0  0
    3.9774   -1.4246    2.8343 H   0  0  0  0  0  0
    2.3689    0.5147   -1.4483 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 21  1  0  0  0
 10 22  1  0  0  0
 10 23  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
 12 26  1  0  0  0
 12 27  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 15 16  2  0  0  0
 15 29  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 20  1  0  0  0
 18 30  1  0  0  0
M  END
>  <Name>
40-table2-2

>  <Family>
N.2

>  <PC_uM>
16.000000

>  <TG_uM>
>28

>  <RL_uM>
4.600000

>  <set>
2

$$$$
40-table2-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 33 35  0  0  0  0  0  0  0  0999 V2000
   -3.5977    0.2149   -2.3472 N   0  0  0  0  0  0
   -3.6928   -1.1145   -2.4368 C   0  0  0  0  0  0
   -2.6800   -1.9675   -2.3523 N   0  0  0  0  0  0
   -1.4913   -1.3718   -2.1703 C   0  0  0  0  0  0
   -1.2457   -0.0136   -2.0708 C   0  0  0  0  0  0
   -2.3942    0.7985   -2.1598 C   0  0  0  0  0  0
   -0.0894   -2.3163   -2.0378 S   0  0  0  0  0  0
    0.9096   -0.9401   -1.8319 C   0  0  0  0  0  0
    0.1789    0.2434   -1.9007 C   0  0  0  0  0  0
    0.7754    1.6134   -1.8031 C   0  0  0  0  0  0
   -2.3983    2.1674   -2.0620 N   0  0  0  0  0  0
   -4.9364   -1.6356   -2.6303 N   0  0  0  0  0  0
    2.8311   -0.9821   -0.1902 C   0  0  0  0  0  0
    2.5263   -1.9650    0.7638 C   0  0  0  0  0  0
    2.9253   -1.8132    2.0933 C   0  0  0  0  0  0
    3.6348   -0.6797    2.4845 C   0  0  0  0  0  0
    3.9487    0.3014    1.5465 C   0  0  0  0  0  0
    3.5512    0.1510    0.2165 C   0  0  0  0  0  0
    2.3941   -1.1434   -1.6327 C   0  0  0  0  0  0
    1.8666    1.5964   -1.8501 H   0  0  0  0  0  0
    0.4850    2.0866   -0.8597 H   0  0  0  0  0  0
    0.4370    2.2380   -2.6359 H   0  0  0  0  0  0
   -1.5707    2.7122   -1.8720 H   0  0  0  0  0  0
   -3.2838    2.6556   -2.1253 H   0  0  0  0  0  0
   -5.0548   -2.6349   -2.7077 H   0  0  0  0  0  0
   -5.7304   -1.0166   -2.7022 H   0  0  0  0  0  0
    1.9757   -2.8601    0.4770 H   0  0  0  0  0  0
    2.6820   -2.5819    2.8249 H   0  0  0  0  0  0
    3.9451   -0.5616    3.5211 H   0  0  0  0  0  0
    4.5053    1.1863    1.8504 H   0  0  0  0  0  0
    3.8114    0.9278   -0.5012 H   0  0  0  0  0  0
    2.9420   -0.4394   -2.2722 H   0  0  0  0  0  0
    2.7057   -2.1383   -1.9784 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 19  1  0  0  0
  9 10  1  0  0  0
 10 20  1  0  0  0
 10 21  1  0  0  0
 10 22  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
 12 25  1  0  0  0
 12 26  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 13 19  1  0  0  0
 14 15  1  0  0  0
 14 27  1  0  0  0
 15 16  2  0  0  0
 15 28  1  0  0  0
 16 17  1  0  0  0
 16 29  1  0  0  0
 17 18  2  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
 19 32  1  0  0  0
 19 33  1  0  0  0
M  END
>  <Name>
40-table2-3

>  <Family>
N.2

>  <PC_uM>
35.000000

>  <TG_uM>
6.200000

>  <RL_uM>
14.000000

>  <set>
2

$$$$
40-table-2-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.7420   -1.4901    0.5920 N   0  0  0  0  0  0
   -2.8469   -2.7875    0.2874 C   0  0  0  0  0  0
   -1.8472   -3.5775   -0.0872 N   0  0  0  0  0  0
   -0.6617   -2.9505   -0.1420 C   0  0  0  0  0  0
   -0.4121   -1.6201    0.1449 C   0  0  0  0  0  0
   -1.5410   -0.8752    0.5317 C   0  0  0  0  0  0
    0.7307   -3.8094   -0.6035 S   0  0  0  0  0  0
    1.7255   -2.4280   -0.4372 C   0  0  0  0  0  0
    0.9927   -1.3215   -0.0308 C   0  0  0  0  0  0
   -1.5188    0.4574    0.8603 N   0  0  0  0  0  0
   -4.0874   -3.3444    0.3691 N   0  0  0  0  0  0
    1.6459   -0.0372    0.1726 C   0  0  0  0  0  0
    2.1759    0.2893    1.4265 C   0  0  0  0  0  0
    2.8006    1.5239    1.6211 C   0  0  0  0  0  0
    2.8927    2.4288    0.5643 C   0  0  0  0  0  0
    2.3643    2.1109   -0.6863 C   0  0  0  0  0  0
    1.7394    0.8769   -0.8835 C   0  0  0  0  0  0
    3.1902   -2.5342   -0.7248 C   0  0  0  0  0  0
    3.6632    3.9492    0.8054 Cl  0  0  0  0  0  0
   -0.6692    1.0049    0.8463 H   0  0  0  0  0  0
   -2.3825    0.9131    1.1277 H   0  0  0  0  0  0
   -4.2146   -4.3209    0.1480 H   0  0  0  0  0  0
   -4.8717   -2.7747    0.6501 H   0  0  0  0  0  0
    2.1075   -0.4108    2.2573 H   0  0  0  0  0  0
    3.2105    1.7694    2.5980 H   0  0  0  0  0  0
    2.4334    2.8151   -1.5121 H   0  0  0  0  0  0
    1.3289    0.6373   -1.8629 H   0  0  0  0  0  0
    3.4719   -1.8407   -1.5240 H   0  0  0  0  0  0
    3.4807   -3.5412   -1.0422 H   0  0  0  0  0  0
    3.7715   -2.2873    0.1696 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 18  1  0  0  0
  9 12  1  0  0  0
 10 20  1  0  0  0
 10 21  1  0  0  0
 11 22  1  0  0  0
 11 23  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 24  1  0  0  0
 14 15  2  0  0  0
 14 25  1  0  0  0
 15 16  1  0  0  0
 15 19  1  0  0  0
 16 17  2  0  0  0
 16 26  1  0  0  0
 17 27  1  0  0  0
 18 28  1  0  0  0
 18 29  1  0  0  0
 18 30  1  0  0  0
M  END
>  <Name>
40-table-2-4

>  <Family>
N.2

>  <PC_uM>
>100

>  <TG_uM>
>70

>  <RL_uM>
>100

>  <set>
0

$$$$
40-table-2-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 33 35  0  0  0  0  0  0  0  0999 V2000
   -3.1310   -0.7014   -1.4586 N   0  0  0  0  0  0
   -3.4498   -1.7816   -0.7443 C   0  0  0  0  0  0
   -2.8210   -2.1904    0.3469 N   0  0  0  0  0  0
   -1.7949   -1.4030    0.7041 C   0  0  0  0  0  0
   -1.3500   -0.2571    0.0622 C   0  0  0  0  0  0
   -2.0899    0.0798   -1.0930 C   0  0  0  0  0  0
   -0.9014   -1.7946    2.0895 S   0  0  0  0  0  0
    0.1062   -0.4313    1.9112 C   0  0  0  0  0  0
   -0.2018    0.3145    0.7730 C   0  0  0  0  0  0
   -1.8587    1.1514   -1.9175 N   0  0  0  0  0  0
   -4.5088   -2.5221   -1.1747 N   0  0  0  0  0  0
    1.8209    1.1357   -0.3025 C   0  0  0  0  0  0
    1.8130    0.5369   -1.5722 C   0  0  0  0  0  0
    3.0069    0.1592   -2.1918 C   0  0  0  0  0  0
    4.2258    0.3811   -1.5557 C   0  0  0  0  0  0
    4.2528    0.9842   -0.3009 C   0  0  0  0  0  0
    3.0601    1.3626    0.3193 C   0  0  0  0  0  0
    1.1782   -0.1971    2.9302 C   0  0  0  0  0  0
    0.5418    1.5681    0.3819 C   0  0  0  0  0  0
   -1.0885    1.7918   -1.8198 H   0  0  0  0  0  0
   -2.4626    1.2692   -2.7229 H   0  0  0  0  0  0
   -4.7846   -3.3476   -0.6639 H   0  0  0  0  0  0
   -5.0109   -2.2388   -2.0031 H   0  0  0  0  0  0
    0.8760    0.3559   -2.0950 H   0  0  0  0  0  0
    2.9836   -0.3079   -3.1750 H   0  0  0  0  0  0
    5.1552    0.0867   -2.0397 H   0  0  0  0  0  0
    5.2045    1.1631    0.1967 H   0  0  0  0  0  0
    3.1064    1.8381    1.2986 H   0  0  0  0  0  0
    1.2993    0.8708    3.1352 H   0  0  0  0  0  0
    2.1330   -0.5932    2.5700 H   0  0  0  0  0  0
    0.9489   -0.6822    3.8852 H   0  0  0  0  0  0
    0.7627    2.1650    1.2751 H   0  0  0  0  0  0
   -0.0331    2.2301   -0.2656 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 18  1  0  0  0
  9 19  1  0  0  0
 10 20  1  0  0  0
 10 21  1  0  0  0
 11 22  1  0  0  0
 11 23  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 12 19  1  0  0  0
 13 14  1  0  0  0
 13 24  1  0  0  0
 14 15  2  0  0  0
 14 25  1  0  0  0
 15 16  1  0  0  0
 15 26  1  0  0  0
 16 17  2  0  0  0
 16 27  1  0  0  0
 17 28  1  0  0  0
 18 29  1  0  0  0
 18 30  1  0  0  0
 18 31  1  0  0  0
 19 32  1  0  0  0
 19 33  1  0  0  0
M  END
>  <Name>
40-table-2-5

>  <Family>
N.2

>  <PC_uM>
>100

>  <TG_uM>
>100

>  <RL_uM>
>37

>  <set>
0

$$$$
40-table-2-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.7166    0.0031   -0.3989 N   0  0  0  0  0  0
   -2.8258   -1.3053   -0.1474 C   0  0  0  0  0  0
   -1.8183   -2.1300    0.1131 N   0  0  0  0  0  0
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   -0.3643   -0.1825   -0.1163 C   0  0  0  0  0  0
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    0.7874   -2.4353    0.4196 S   0  0  0  0  0  0
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    1.0539    0.0876   -0.0090 C   0  0  0  0  0  0
   -1.4801    1.9367   -0.6856 N   0  0  0  0  0  0
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    1.7416    1.4139   -0.1822 C   0  0  0  0  0  0
    3.2638   -1.1426    0.4157 C   0  0  0  0  0  0
    3.9305    0.1189   -0.1487 C   0  0  0  0  0  0
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    1.2070    2.1946    0.3694 H   0  0  0  0  0  0
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    3.2186    1.4382    1.4017 H   0  0  0  0  0  0
    3.7232    2.2758   -0.0641 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
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 15 27  1  0  0  0
M  END
>  <Name>
40-table-2-6

>  <Family>
N.2

>  <PC_uM>
2.100000

>  <TG_uM>
2.800000

>  <RL_uM>
3.900000

>  <set>
2

$$$$
40-table-2-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.7568   -0.1192   -0.3373 N   0  0  0  0  0  0
   -2.8047   -1.3233    0.2358 C   0  0  0  0  0  0
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   -0.5795   -1.4910    0.2459 C   0  0  0  0  0  0
   -0.3793   -0.2635   -0.3696 C   0  0  0  0  0  0
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    1.0446   -0.0365   -0.5871 C   0  0  0  0  0  0
   -1.6450    1.7100   -1.1734 N   0  0  0  0  0  0
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    3.3113   -1.1517   -0.0106 C   0  0  0  0  0  0
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    2.5738    1.9627   -0.3645 C   0  0  0  0  0  0
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    3.7011   -1.2237   -1.0332 H   0  0  0  0  0  0
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    0.9371    1.7782   -1.7387 H   0  0  0  0  0  0
    2.2783    0.7524   -2.1361 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
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  5  6  2  0  0  0
  5  9  1  0  0  0
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  8  9  2  0  0  0
  8 12  1  0  0  0
  9 16  1  0  0  0
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 11 20  1  0  0  0
 12 13  1  0  0  0
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 14 15  1  0  0  0
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 14 26  1  0  0  0
 15 16  1  0  0  0
 15 27  1  0  0  0
 15 28  1  0  0  0
 16 29  1  0  0  0
 16 30  1  0  0  0
M  END
>  <Name>
40-table-2-7

>  <Family>
N.2

>  <PC_uM>
1.400000

>  <TG_uM>
0.860000

>  <RL_uM>
1.300000

>  <set>
0

$$$$
40-table-2-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 33 35  0  0  0  0  0  0  0  0999 V2000
   -2.8881   -0.1031    0.0348 N   0  0  0  0  0  0
   -2.9867   -1.4087    0.2912 C   0  0  0  0  0  0
   -1.9717   -2.2590    0.3413 N   0  0  0  0  0  0
   -0.7836   -1.6944    0.0764 C   0  0  0  0  0  0
   -0.5354   -0.3690   -0.2339 C   0  0  0  0  0  0
   -1.6824    0.4542   -0.2133 C   0  0  0  0  0  0
    0.6149   -2.6447    0.1267 S   0  0  0  0  0  0
    1.6320   -1.3206   -0.2861 C   0  0  0  0  0  0
    0.8868   -0.1637   -0.5195 C   0  0  0  0  0  0
   -1.6937    1.8146   -0.3983 N   0  0  0  0  0  0
   -4.2331   -1.9031    0.5304 N   0  0  0  0  0  0
    1.4740    1.1394   -0.9906 C   0  0  0  0  0  0
    3.1167   -1.6220   -0.3135 C   0  0  0  0  0  0
    4.0821   -0.5137   -0.7205 C   0  0  0  0  0  0
    4.3289    0.5900    0.3130 C   0  0  0  0  0  0
    3.1229    1.2105    1.0148 C   0  0  0  0  0  0
    2.1332    1.9564    0.1172 C   0  0  0  0  0  0
   -0.8568    2.3766   -0.4195 H   0  0  0  0  0  0
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  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 12  1  0  0  0
 10 18  1  0  0  0
 10 19  1  0  0  0
 11 20  1  0  0  0
 11 21  1  0  0  0
 12 17  1  0  0  0
 12 22  1  0  0  0
 12 23  1  0  0  0
 13 14  1  0  0  0
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 14 15  1  0  0  0
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 15 16  1  0  0  0
 15 28  1  0  0  0
 15 29  1  0  0  0
 16 17  1  0  0  0
 16 30  1  0  0  0
 16 31  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
M  END
>  <Name>
40-table-2-8

>  <Family>
N.2

>  <PC_uM>
6.500000

>  <TG_uM>
N/A

>  <RL_uM>
1.900000

>  <set>
0

$$$$
40-table-2-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
   -2.1729    1.9683   -0.9146 N   0  0  0  0  0  0
   -2.8084    0.8301   -1.1951 C   0  0  0  0  0  0
   -2.2247   -0.3077   -1.5384 N   0  0  0  0  0  0
   -0.8864   -0.2310   -1.5957 C   0  0  0  0  0  0
   -0.0954    0.8767   -1.3368 C   0  0  0  0  0  0
   -0.8236    2.0295   -0.9654 C   0  0  0  0  0  0
   -0.0033   -1.6043   -2.0398 S   0  0  0  0  0  0
    1.4942   -0.7907   -1.8795 C   0  0  0  0  0  0
    1.3239    0.5556   -1.5385 C   0  0  0  0  0  0
   -0.2884    3.2465   -0.6249 N   0  0  0  0  0  0
   -4.1683    0.8418   -1.1200 N   0  0  0  0  0  0
    2.4517    1.5590   -1.4407 C   0  0  0  0  0  0
    3.3174    1.5261   -0.1744 C   0  0  0  0  0  0
    2.6089    1.6674    1.1850 C   0  0  0  0  0  0
    2.8254    0.4510    2.1062 C   0  0  0  0  0  0
    1.8855   -0.7004    1.7518 C   0  0  0  0  0  0
    2.4702   -2.0970    1.9786 C   0  0  0  0  0  0
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    3.5653   -2.0958    1.9595 H   0  0  0  0  0  0
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 19 20  1  0  0  0
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 20 21  1  0  0  0
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 20 43  1  0  0  0
 21 44  1  0  0  0
 21 45  1  0  0  0
M  END
>  <Name>
40-table-2-9

>  <Family>
N.2

>  <PC_uM>
>50

>  <TG_uM>
N/A

>  <RL_uM>
9.300000

>  <set>
0

$$$$
40-table-2-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 36 39  0  0  0  0  0  0  0  0999 V2000
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   -2.4364   -1.9076    0.3484 C   0  0  0  0  0  0
   -2.4579   -0.5375    0.1306 C   0  0  0  0  0  0
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   -0.8670   -2.5286    0.5854 S   0  0  0  0  0  0
   -0.1736   -0.9908    0.3942 C   0  0  0  0  0  0
   -1.1122   -0.0126    0.1275 C   0  0  0  0  0  0
   -4.0019    1.3489   -0.2147 N   0  0  0  0  0  0
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   -0.6545    1.3963   -0.0939 C   0  0  0  0  0  0
    1.3085   -0.7579    0.5065 C   0  0  0  0  0  0
    1.7326    0.6313    0.1861 N   0  0  0  0  0  0
    0.7956    1.4524   -0.6181 C   0  0  0  0  0  0
    3.0998    0.9139    0.1878 C   0  0  0  0  0  0
    3.9706    0.3216    1.1204 C   0  0  0  0  0  0
    5.3445    0.5988    1.1385 C   0  0  0  0  0  0
    5.8898    1.4847    0.2189 C   0  0  0  0  0  0
    5.0590    2.0916   -0.7136 C   0  0  0  0  0  0
    3.6857    1.8096   -0.7240 C   0  0  0  0  0  0
   -3.2877    2.0608   -0.1728 H   0  0  0  0  0  0
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M  END
>  <Name>
40-table-2-10

>  <Family>
N.2

>  <PC_uM>
5.200000

>  <TG_uM>
0.850000

>  <RL_uM>
0.570000

>  <set>
2

$$$$
16-8a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
16-8a

>  <Family>
N.2

>  <PC_uM>
>12

>  <TG_uM>
0.210000

>  <RL_uM>
0.930000

>  <set>
2

$$$$
16-12
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 45 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
16-12

>  <Family>
N.2

>  <PC_uM>
49.000000

>  <TG_uM>
2.500000

>  <RL_uM>
2.800000

>  <set>
2

$$$$
16-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
16-10

>  <Family>
N.2

>  <PC_uM>
200.000000

>  <TG_uM>
25.000000

>  <RL_uM>
43.000000

>  <set>
1

$$$$
36-6a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
36-6a

>  <Family>
N.2

>  <PC_uM>
13.000000

>  <TG_uM>
34.000000

>  <RL_uM>
17.000000

>  <set>
1

$$$$
36-6b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
36-6b

>  <Family>
N.2

>  <PC_uM>
>100

>  <TG_uM>
>100

>  <RL_uM>
33.000000

>  <set>
1

$$$$
36-6c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
36-6c

>  <Family>
N.2

>  <PC_uM>
31.000000

>  <TG_uM>
127.000000

>  <RL_uM>
28.000000

>  <set>
0

$$$$
36-6d
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
36-6d

>  <Family>
N.2

>  <PC_uM>
>10

>  <TG_uM>
>10

>  <RL_uM>
>10

>  <set>
0

$$$$
36-6e
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
36-6e

>  <Family>
N.2

>  <PC_uM>
7.500000

>  <TG_uM>
26.000000

>  <RL_uM>
10.000000

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0

$$$$
37-1a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
37-1a

>  <Family>
N.2

>  <PC_uM>
>186

>  <TG_uM>
12.000000

>  <RL_uM>
9.100000

>  <set>
1

$$$$
37-1b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
37-1b

>  <Family>
N.2

>  <PC_uM>
>161

>  <TG_uM>
113.000000

>  <RL_uM>
62.000000

>  <set>
0

$$$$
37-1c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
37-1c

>  <Family>
N.2

>  <PC_uM>
33.000000

>  <TG_uM>
16.000000

>  <RL_uM>
23.000000

>  <set>
2

$$$$
37-1d
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
37-1d

>  <Family>
N.2

>  <PC_uM>
8.300000

>  <TG_uM>
14.000000

>  <RL_uM>
27.000000

>  <set>
2

$$$$
41-4a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
41-4a

>  <Family>
N.2

>  <PC_uM>
51.000000

>  <TG_uM>
15.400000

>  <RL_uM>
>51

>  <set>
0

$$$$
41-4b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
41-4b

>  <Family>
N.2

>  <PC_uM>
>14

>  <TG_uM>
>14

>  <RL_uM>
>14

>  <set>
0

$$$$
41-4c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
41-4c

>  <Family>
N.2

>  <PC_uM>
>29

>  <TG_uM>
>29

>  <RL_uM>
>29

>  <set>
1

$$$$
41-4d
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
41-4d

>  <Family>
N.2

>  <PC_uM>
36.200000

>  <TG_uM>
27.700000

>  <RL_uM>
>10

>  <set>
0

$$$$
41-4e
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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 28 43  1  0  0  0
 28 44  1  0  0  0
 28 45  1  0  0  0
M  END
>  <Name>
41-4e

>  <Family>
N.2

>  <PC_uM>
10.300000

>  <TG_uM>
>32

>  <RL_uM>
>32

>  <set>
0

$$$$
41-4f
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 48 52  0  0  0  0  0  0  0  0999 V2000
   -4.1811   -3.8446   -0.3453 N   0  0  0  0  0  0
   -4.4059   -5.1244   -0.0060 C   0  0  0  0  0  0
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   -2.7362   -5.1172    1.4529 C   0  0  0  0  0  0
   -2.4061   -3.7946    1.2084 C   0  0  0  0  0  0
   -3.1787   -3.1501    0.2395 C   0  0  0  0  0  0
   -1.9072   -5.6399    2.3991 O   0  0  0  0  0  0
   -1.0543   -4.6523    2.7719 C   0  0  0  0  0  0
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   -0.6137   -2.1764    2.2526 C   0  0  0  0  0  0
   -2.9847   -1.8533   -0.1638 N   0  0  0  0  0  0
   -5.4421   -5.7538   -0.6289 N   0  0  0  0  0  0
    0.3524   -1.8625    1.2120 N   0  0  0  0  0  0
    1.8205    1.4593    2.0717 C   0  0  0  0  0  0
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 28 47  1  0  0  0
 28 48  1  0  0  0
M  END
>  <Name>
41-4f

>  <Family>
N.2

>  <PC_uM>
16.200000

>  <TG_uM>
4.500000

>  <RL_uM>
12.600000

>  <set>
1

$$$$
41-4g
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 48  0  0  0  0  0  0  0  0999 V2000
   -3.3338   -3.4999   -0.3385 N   0  0  0  0  0  0
   -3.5996   -4.8160   -0.2957 C   0  0  0  0  0  0
   -2.7545   -5.7989   -0.6067 N   0  0  0  0  0  0
   -1.5606   -5.3383   -0.9945 C   0  0  0  0  0  0
   -1.1590   -4.0172   -1.0887 C   0  0  0  0  0  0
   -2.1135   -3.0663   -0.7242 C   0  0  0  0  0  0
   -0.5409   -6.1629   -1.3644 O   0  0  0  0  0  0
    0.5101   -5.3726   -1.7040 C   0  0  0  0  0  0
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    1.0678   -2.8660   -1.8646 C   0  0  0  0  0  0
   -1.8817   -1.7138   -0.7248 N   0  0  0  0  0  0
   -4.8508   -5.1758    0.1067 N   0  0  0  0  0  0
    1.3236   -1.9856   -0.7345 N   0  0  0  0  0  0
    2.2524   -0.0808    0.3787 C   0  0  0  0  0  0
    2.9659    1.1168    0.3483 C   0  0  0  0  0  0
    3.4870    1.6215   -0.8306 C   0  0  0  0  0  0
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    3.2719    2.0352    1.5040 C   0  0  0  0  0  0
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  1  2  2  0  0  0
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 25 26  2  0  0  0
 25 42  1  0  0  0
 26 43  1  0  0  0
 27 44  1  0  0  0
M  END
>  <Name>
41-4g

>  <Family>
N.2

>  <PC_uM>
>13

>  <TG_uM>
63.000000

>  <RL_uM>
>13

>  <set>
1

$$$$
41-4h
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 46  0  0  0  0  0  0  0  0999 V2000
   -3.3723   -3.5294   -0.4275 N   0  0  0  0  0  0
   -3.6279   -4.8471   -0.3731 C   0  0  0  0  0  0
   -2.7612   -5.8275   -0.6280 N   0  0  0  0  0  0
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   -1.1633   -4.0394   -1.0770 C   0  0  0  0  0  0
   -2.1406   -3.0914   -0.7700 C   0  0  0  0  0  0
   -0.5143   -6.1836   -1.2855 O   0  0  0  0  0  0
    0.5416   -5.3888   -1.5989 C   0  0  0  0  0  0
    0.2032   -4.0533   -1.4984 C   0  0  0  0  0  0
    1.0783   -2.8808   -1.7985 C   0  0  0  0  0  0
   -1.9199   -1.7370   -0.7867 N   0  0  0  0  0  0
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    3.1621    2.1303    1.4008 C   0  0  0  0  0  0
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    4.5060    4.3240    1.3255 C   0  0  0  0  0  0
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  2 12  1  0  0  0
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  4  5  1  0  0  0
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  5  6  2  0  0  0
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 21 22  2  0  0  0
 21 23  1  0  0  0
 22 26  1  0  0  0
 23 24  2  0  0  0
 23 39  1  0  0  0
 24 25  1  0  0  0
 24 40  1  0  0  0
 25 26  2  0  0  0
 25 41  1  0  0  0
 26 42  1  0  0  0
M  END
>  <Name>
41-4h

>  <Family>
N.2

>  <PC_uM>
>63

>  <TG_uM>
>63

>  <RL_uM>
>63

>  <set>
2

$$$$
41-4i
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 46  0  0  0  0  0  0  0  0999 V2000
   -3.6176   -3.5052    0.8896 N   0  0  0  0  0  0
   -3.2315   -4.4745    1.7342 C   0  0  0  0  0  0
   -1.9764   -4.7649    2.0698 N   0  0  0  0  0  0
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   -1.3486   -2.9353    0.5777 C   0  0  0  0  0  0
   -2.6984   -2.7151    0.2905 C   0  0  0  0  0  0
    0.2512   -4.0939    1.6570 O   0  0  0  0  0  0
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   -0.0749   -2.3886    0.2092 C   0  0  0  0  0  0
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   -3.1664   -1.7516   -0.5655 N   0  0  0  0  0  0
   -4.2173   -5.2294    2.2957 N   0  0  0  0  0  0
    1.5623   -0.7925   -0.8817 N   0  0  0  0  0  0
    2.8675    2.2062    1.8024 C   0  0  0  0  0  0
    1.9524    2.4915    0.7993 C   0  0  0  0  0  0
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M  END
>  <Name>
41-4i

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0

$$$$
41-5a
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 Structure written by MMmdl.
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>  <Name>
41-5a

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>  <PC_uM>
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392.000000

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$$$$
41-5b
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>  <Name>
41-5b

>  <Family>
N.2

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18.700000

>  <TG_uM>
22.600000

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0

$$$$
41-7a
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 Structure written by MMmdl.
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$$$$
41-7b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
41-7b

>  <Family>
N.2

>  <PC_uM>
22.000000

>  <TG_uM>
23.000000

>  <RL_uM>
31.000000

>  <set>
1

$$$$
41-7c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
41-7c

>  <Family>
N.2

>  <PC_uM>
41.000000

>  <TG_uM>
79.000000

>  <RL_uM>
351.000000

>  <set>
1

$$$$
41-7e
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
41-7e

>  <Family>
N.2

>  <PC_uM>
33.000000

>  <TG_uM>
19.000000

>  <RL_uM>
39.000000

>  <set>
1

$$$$
41-7d
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
41-7d

>  <Family>
N.2

>  <PC_uM>
14.000000

>  <TG_uM>
38.000000

>  <RL_uM>
18.000000

>  <set>
2

$$$$
41-7f
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
41-7f

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25.000000

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65.000000

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0

$$$$
42-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
42-8

>  <Family>
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>  <PC_uM>
40.000000

>  <TG_uM>
3.100000

>  <RL_uM>
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1

$$$$
42-9
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 Structure written by MMmdl.
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M  END
>  <Name>
42-9

>  <Family>
N.3

>  <PC_uM>
>20

>  <TG_uM>
11.700000

>  <RL_uM>
>20

>  <set>
0

$$$$
42-10
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M  CHG  2  20   1  22  -1
M  END
>  <Name>
42-10

>  <Family>
N.3

>  <PC_uM>
>15

>  <TG_uM>
244.000000

>  <RL_uM>
7470.000000

>  <set>
2

$$$$
42-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
42-11

>  <Family>
N.3

>  <PC_uM>
>21

>  <TG_uM>
20.000000

>  <RL_uM>
>21

>  <set>
1

$$$$
43-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
43-7

>  <Family>
N.3

>  <PC_uM>
47.000000

>  <TG_uM>
2.200000

>  <RL_uM>
47.000000

>  <set>
1

$$$$
43-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
43-8

>  <Family>
N.3

>  <PC_uM>
20.000000

>  <TG_uM>
2.600000

>  <RL_uM>
20.000000

>  <set>
0

$$$$
43-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
43-9

>  <Family>
N.3

>  <PC_uM>
16.000000

>  <TG_uM>
7.100000

>  <RL_uM>
16.000000

>  <set>
0

$$$$
43-10
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 Structure written by MMmdl.
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M  END
>  <Name>
43-10

>  <Family>
N.3

>  <PC_uM>
22.000000

>  <TG_uM>
9.300000

>  <RL_uM>
22.000000

>  <set>
0

$$$$
43-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
43-11

>  <Family>
N.3

>  <PC_uM>
25.000000

>  <TG_uM>
0.660000

>  <RL_uM>
25.000000

>  <set>
0

$$$$
43-12
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
43-12

>  <Family>
N.3

>  <PC_uM>
66.200000

>  <TG_uM>
4.100000

>  <RL_uM>
63.000000

>  <set>
0

$$$$
43-13
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
43-13

>  <Family>
N.3

>  <PC_uM>
15.000000

>  <TG_uM>
2.200000

>  <RL_uM>
15.000000

>  <set>
0

$$$$
43-14
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
43-14

>  <Family>
N.3

>  <PC_uM>
26.000000

>  <TG_uM>
3.500000

>  <RL_uM>
26.000000

>  <set>
2

$$$$
43-15
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 46 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
43-15

>  <Family>
N.3

>  <PC_uM>
56.000000

>  <TG_uM>
10.300000

>  <RL_uM>
56.000000

>  <set>
0

$$$$
43-16
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
43-16

>  <Family>
N.3

>  <PC_uM>
87.000000

>  <TG_uM>
4.200000

>  <RL_uM>
87.000000

>  <set>
0

$$$$
43-17
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 Structure written by MMmdl.
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M  END
>  <Name>
43-17

>  <Family>
N.3

>  <PC_uM>
45.000000

>  <TG_uM>
37.000000

>  <RL_uM>
45.000000

>  <set>
2

$$$$
44-2
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
44-2

>  <Family>
O

>  <PC_uM>
153.000000

>  <TG_uM>
28.000000

>  <RL_uM>
59.900000

>  <set>
1

$$$$
44-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
44-3

>  <Family>
O

>  <PC_uM>
59.400000

>  <TG_uM>
2.200000

>  <RL_uM>
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1

$$$$
44-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
44-4

>  <Family>
O

>  <PC_uM>
17.000000

>  <TG_uM>
1.800000

>  <RL_uM>
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>  <set>
0

$$$$
44-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
44-5

>  <Family>
O

>  <PC_uM>
31.500000

>  <TG_uM>
0.840000

>  <RL_uM>
1.880000

>  <set>
1

$$$$
44-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
44-6

>  <Family>
O

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>  <TG_uM>
1.500000

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>  <set>
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$$$$
44-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
44-7

>  <Family>
O

>  <PC_uM>
37.400000

>  <TG_uM>
1.700000

>  <RL_uM>
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>  <set>
1

$$$$
44-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
44-8

>  <Family>
O

>  <PC_uM>
9.000000

>  <TG_uM>
3.000000

>  <RL_uM>
32.400000

>  <set>
1

$$$$
44-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
44-9

>  <Family>
O

>  <PC_uM>
12.000000

>  <TG_uM>
14.200000

>  <RL_uM>
52.300000

>  <set>
0

$$$$
44-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
44-10

>  <Family>
O

>  <PC_uM>
14.000000

>  <TG_uM>
2.400000

>  <RL_uM>
0.900000

>  <set>
0

$$$$
44-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
44-11

>  <Family>
O

>  <PC_uM>
19.500000

>  <TG_uM>
6.700000

>  <RL_uM>
252.000000

>  <set>
2

$$$$
44-12
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
44-12

>  <Family>
O

>  <PC_uM>
11.000000

>  <TG_uM>
11.000000

>  <RL_uM>
11.000000

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1

$$$$
44-13
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
44-13

>  <Family>
O

>  <PC_uM>
68.000000

>  <TG_uM>
1.000000

>  <RL_uM>
15.300000

>  <set>
0

$$$$
44-14
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  CHG  2  22   1  24  -1
M  END
>  <Name>
44-14

>  <Family>
O

>  <PC_uM>
25.000000

>  <TG_uM>
16.800000

>  <RL_uM>
25.000000

>  <set>
2

$$$$
44-15
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 Structure written by MMmdl.
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M  END
>  <Name>
44-15

>  <Family>
O

>  <PC_uM>
605.000000

>  <TG_uM>
32.900000

>  <RL_uM>
30.100000

>  <set>
0

$$$$
44-16
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 Structure written by MMmdl.
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M  END
>  <Name>
44-16

>  <Family>
O

>  <PC_uM>
18.000000

>  <TG_uM>
20.000000

>  <RL_uM>
18.000000

>  <set>
1

$$$$
44-17
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 Structure written by MMmdl.
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M  END
>  <Name>
44-17

>  <Family>
O

>  <PC_uM>
113.000000

>  <TG_uM>
27.000000

>  <RL_uM>
280.000000

>  <set>
0

$$$$
44-18
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
44-18

>  <Family>
O

>  <PC_uM>
13.000000

>  <TG_uM>
13.000000

>  <RL_uM>
13.000000

>  <set>
2

$$$$
44-19
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
44-19

>  <Family>
O

>  <PC_uM>
35.000000

>  <TG_uM>
30.500000

>  <RL_uM>
29.800000

>  <set>
2

$$$$
44-20
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
44-20

>  <Family>
O

>  <PC_uM>
9.800000

>  <TG_uM>
0.500000

>  <RL_uM>
1.600000

>  <set>
2

$$$$
44-21
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
44-21

>  <Family>
O

>  <PC_uM>
34.000000

>  <TG_uM>
34.000000

>  <RL_uM>
34.000000

>  <set>
1

$$$$
44-22
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 40 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
44-22

>  <Family>
O

>  <PC_uM>
29.000000

>  <TG_uM>
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>  <RL_uM>
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$$$$
44-23
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
44-23

>  <Family>
O

>  <PC_uM>
105.000000

>  <TG_uM>
1.020000

>  <RL_uM>
107.000000

>  <set>
2

$$$$
45-15a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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>  <Name>
45-15a

>  <Family>
P

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>  <TG_uM>
21.000000

>  <RL_uM>
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>  <set>
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$$$$
45-15b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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>  <Name>
45-15b

>  <Family>
P

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1.800000

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$$$$
45-15c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 52 54  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
45-15c

>  <Family>
P

>  <PC_uM>
1.300000

>  <TG_uM>
0.140000

>  <RL_uM>
0.220000

>  <set>
0

$$$$
46-117496
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
46-117496

>  <Family>
Q

>  <PC_uM>
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>  <TG_uM>
N/A

>  <RL_uM>
N/A

>  <set>
0

$$$$
46-125279
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
46-125279

>  <Family>
Q

>  <PC_uM>
50.200000

>  <TG_uM>
N/A

>  <RL_uM>
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>  <set>
2

$$$$
46-134670
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
46-134670

>  <Family>
Q

>  <PC_uM>
6.400000

>  <TG_uM>
N/A

>  <RL_uM>
N/A

>  <set>
2

$$$$
46-135705
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
46-135705

>  <Family>
Q

>  <PC_uM>
5.000000

>  <TG_uM>
N/A

>  <RL_uM>
N/A

>  <set>
1

$$$$
46-118960
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 43 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
46-118960

>  <Family>
Q

>  <PC_uM>
4.500000

>  <TG_uM>
N/A

>  <RL_uM>
N/A

>  <set>
1

$$$$
46-115736
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
46-115736

>  <Family>
Q

>  <PC_uM>
2.800000

>  <TG_uM>
N/A

>  <RL_uM>
N/A

>  <set>
1

$$$$
46-119016
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
46-119016

>  <Family>
Q

>  <PC_uM>
1.700000

>  <TG_uM>
N/A

>  <RL_uM>
N/A

>  <set>
1

$$$$
46-464561
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
46-464561

>  <Family>
Q

>  <PC_uM>
1.300000

>  <TG_uM>
N/A

>  <RL_uM>
N/A

>  <set>
0

$$$$
46-118958
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 49 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
46-118958

>  <Family>
Q

>  <PC_uM>
0.800000

>  <TG_uM>
N/A

>  <RL_uM>
N/A

>  <set>
1

$$$$
46-084484
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
46-084484

>  <Family>
Q

>  <PC_uM>
0.950000

>  <TG_uM>
N/A

>  <RL_uM>
N/A

>  <set>
2

$$$$
46-182049
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 41 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
46-182049

>  <Family>
Q

>  <PC_uM>
1.500000

>  <TG_uM>
N/A

>  <RL_uM>
N/A

>  <set>
2

$$$$
29-1-trimethoprim
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
29-1-trimethoprim

>  <Family>
Q

>  <PC_uM>
12.000000

>  <TG_uM>
2.700000

>  <RL_uM>
130.000000

>  <set>
1

$$$$
29-3a
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 47 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
29-3a

>  <Family>
Q

>  <PC_uM>
19.000000

>  <TG_uM>
6.500000

>  <RL_uM>
44.000000

>  <set>
2

$$$$
29-3b
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 50 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
29-3b

>  <Family>
Q

>  <PC_uM>
14.000000

>  <TG_uM>
9.200000

>  <RL_uM>
29.000000

>  <set>
0

$$$$
29-3c
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
29-3c

>  <Family>
Q

>  <PC_uM>
5.600000

>  <TG_uM>
5.000000

>  <RL_uM>
11.000000

>  <set>
0

$$$$
29-3d
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 56 57  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
29-3d

>  <Family>
Q

>  <PC_uM>
44.000000

>  <TG_uM>
15.000000

>  <RL_uM>
30.000000

>  <set>
0

$$$$
29-3e
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
29-3e

>  <Family>
Q

>  <PC_uM>
51.000000

>  <TG_uM>
32.000000

>  <RL_uM>
86.000000

>  <set>
0

$$$$
29-3g
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 47 48  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0
  1  6  1  0  0  0
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 23 24  2  0  0  0
 23 25  1  0  0  0
 25 47  1  0  0  0
M  END
>  <Name>
29-3g

>  <Family>
Q

>  <PC_uM>
0.049000

>  <TG_uM>
0.110000

>  <RL_uM>
3.900000

>  <set>
0

$$$$
29-3i
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 53 54  0  0  0  0  0  0  0  0999 V2000
   -3.2298   -0.7290    5.2028 N   0  0  0  0  0  0
   -3.2696   -2.0616    5.1178 C   0  0  0  0  0  0
   -2.2044   -2.8338    4.9050 N   0  0  0  0  0  0
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   -0.8665   -0.8284    4.8693 C   0  0  0  0  0  0
   -2.0340   -0.1226    5.0943 C   0  0  0  0  0  0
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    0.8737    0.3745    3.3684 C   0  0  0  0  0  0
    0.1315    0.1105    2.2000 C   0  0  0  0  0  0
    0.5220    0.6214    0.9576 C   0  0  0  0  0  0
    1.6683    1.4058    0.8780 C   0  0  0  0  0  0
    2.4246    1.6732    2.0240 C   0  0  0  0  0  0
    2.0406    1.1607    3.2654 C   0  0  0  0  0  0
   -2.0650    1.2546    5.1493 N   0  0  0  0  0  0
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   -0.2948    0.2875   -0.0896 O   0  0  0  0  0  0
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 26 51  1  0  0  0
 27 52  1  0  0  0
 27 53  1  0  0  0
M  END
>  <Name>
29-3i

>  <Family>
Q

>  <PC_uM>
2.600000

>  <TG_uM>
0.180000

>  <RL_uM>
12.000000

>  <set>
0

$$$$
29-3h
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 50 51  0  0  0  0  0  0  0  0999 V2000
   -1.1959   -3.5225    3.9649 N   0  0  0  0  0  0
   -1.7822   -4.5373    3.3248 C   0  0  0  0  0  0
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    0.5198   -3.5276    2.2979 C   0  0  0  0  0  0
   -0.0564   -3.0228    3.4506 C   0  0  0  0  0  0
    1.7861   -2.9981    1.6770 C   0  0  0  0  0  0
    1.6437   -1.6520    0.9832 C   0  0  0  0  0  0
    0.6243   -1.4703    0.0266 C   0  0  0  0  0  0
    0.4472   -0.2489   -0.6257 C   0  0  0  0  0  0
    1.3256    0.7956   -0.3628 C   0  0  0  0  0  0
    2.3619    0.6257    0.5633 C   0  0  0  0  0  0
    2.5304   -0.5882    1.2391 C   0  0  0  0  0  0
    0.5258   -1.9818    4.1630 N   0  0  0  0  0  0
   -2.9365   -5.0392    3.8412 N   0  0  0  0  0  0
   -0.5989   -0.2052   -1.5046 O   0  0  0  0  0  0
   -3.0975    2.2211   -2.9738 C   0  0  0  0  0  0
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 25 26  1  0  0  0
 25 47  1  0  0  0
 25 48  1  0  0  0
 26 49  1  0  0  0
 26 50  1  0  0  0
M  END
>  <Name>
29-3h

>  <Family>
Q

>  <PC_uM>
0.800000

>  <TG_uM>
0.480000

>  <RL_uM>
17.000000

>  <set>
0

$$$$
29-3j
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 56 57  0  0  0  0  0  0  0  0999 V2000
   -0.2887   -4.0755    4.5004 N   0  0  0  0  0  0
   -0.8932   -5.0814    3.8654 C   0  0  0  0  0  0
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    2.3332    0.1937    0.2538 C   0  0  0  0  0  0
    3.3743   -0.0116    1.1676 C   0  0  0  0  0  0
    3.5261   -1.2407    1.8206 C   0  0  0  0  0  0
    1.4688   -2.5770    4.7042 N   0  0  0  0  0  0
   -2.0786   -5.5292    4.3631 N   0  0  0  0  0  0
    0.3912   -0.7689   -0.8946 O   0  0  0  0  0  0
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M  END
>  <Name>
29-3j

>  <Family>
Q

>  <PC_uM>
7.100000

>  <TG_uM>
0.360000

>  <RL_uM>
12.000000

>  <set>
0

$$$$
29-3k
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
29-3k

>  <Family>
Q

>  <PC_uM>
4.800000

>  <TG_uM>
0.430000

>  <RL_uM>
12.000000

>  <set>
0

$$$$
29-3f
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 44 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
29-3f

>  <Family>
Q

>  <PC_uM>
0.250000

>  <TG_uM>
0.180000

>  <RL_uM>
2.600000

>  <set>
1

$$$$
46-168820
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
46-168820

>  <Family>
Q

>  <PC_uM>
14.000000

>  <TG_uM>
N/A

>  <RL_uM>
N/A

>  <set>
2

$$$$
47-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 51 54  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
47-5

>  <Family>
misc

>  <PC_uM>
>5

>  <TG_uM>
N/A

>  <RL_uM>
>5

>  <set>
1

$$$$
47-6
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 Structure written by MMmdl.
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M  END
>  <Name>
47-6

>  <Family>
misc

>  <PC_uM>
1.280000

>  <TG_uM>
1.120000

>  <RL_uM>
0.240000

>  <set>
1

$$$$
47-8
  Cerius2 12180216033D 1   1.00000                          
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M  END
>  <Name>
47-8

>  <Family>
misc

>  <PC_uM>
>1

>  <TG_uM>
2.300000

>  <RL_uM>
0.500000

>  <set>
2

$$$$
47-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
47-9

>  <Family>
misc

>  <PC_uM>
>2.27

>  <TG_uM>
N/A

>  <RL_uM>
>2.7

>  <set>
1

$$$$
47-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
47-10

>  <Family>
misc

>  <PC_uM>
4.600000

>  <TG_uM>
0.760000

>  <RL_uM>
0.470000

>  <set>
2

$$$$
47-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
47-11

>  <Family>
misc

>  <PC_uM>
2.200000

>  <TG_uM>
0.290000

>  <RL_uM>
0.160000

>  <set>
0

$$$$
14-11
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
14-11

>  <Family>
misc

>  <PC_uM>
>1.85

>  <TG_uM>
1.850000

>  <RL_uM>
>18.5

>  <set>
0

$$$$
48-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
48-3

>  <Family>
misc

>  <PC_uM>
94.500000

>  <TG_uM>
9.000000

>  <RL_uM>
42.900000

>  <set>
1

$$$$
48-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
48-4

>  <Family>
misc

>  <PC_uM>
3.100000

>  <TG_uM>
0.620000

>  <RL_uM>
20.300000

>  <set>
2

$$$$
48-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
48-6

>  <Family>
misc

>  <PC_uM>
12.600000

>  <TG_uM>
5.300000

>  <RL_uM>
11.700000

>  <set>
2

$$$$
49-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
49-4

>  <Family>
misc

>  <PC_uM>
94.500000

>  <TG_uM>
9.000000

>  <RL_uM>
42.900000

>  <set>
0

$$$$
49-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
49-5

>  <Family>
misc

>  <PC_uM>
3.100000

>  <TG_uM>
0.620000

>  <RL_uM>
20.300000

>  <set>
0

$$$$
49-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
49-7

>  <Family>
misc

>  <PC_uM>
12.600000

>  <TG_uM>
5.300000

>  <RL_uM>
11.700000

>  <set>
0

$$$$
50-13
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
50-13

>  <Family>
misc

>  <PC_uM>
6.100000

>  <TG_uM>
5.100000

>  <RL_uM>
59.000000

>  <set>
1

$$$$
50-14
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
50-14

>  <Family>
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>  <TG_uM>
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>  <RL_uM>
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0

$$$$
50-15
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
50-15

>  <Family>
misc

>  <PC_uM>
77.000000

>  <TG_uM>
39.000000

>  <RL_uM>
112.000000

>  <set>
1

$$$$
50-16
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 Structure written by MMmdl.
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M  END
>  <Name>
50-16

>  <Family>
misc

>  <PC_uM>
>46

>  <TG_uM>
46.000000

>  <RL_uM>
>46

>  <set>
2

$$$$
50-17
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
50-17

>  <Family>
misc

>  <PC_uM>
260.000000

>  <TG_uM>
34.000000

>  <RL_uM>
237.000000

>  <set>
1

$$$$
50-18
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
50-18

>  <Family>
misc

>  <PC_uM>
176.000000

>  <TG_uM>
30.000000

>  <RL_uM>
101.000000

>  <set>
2

$$$$
50-19
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
50-19

>  <Family>
misc

>  <PC_uM>
>352

>  <TG_uM>
101.000000

>  <RL_uM>
30.000000

>  <set>
1

$$$$
50-20
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 Structure written by MMmdl.
 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
50-20

>  <Family>
misc

>  <PC_uM>
>205

>  <TG_uM>
20.000000

>  <RL_uM>
29.000000

>  <set>
1

$$$$
51-1
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
51-1

>  <Family>
misc

>  <PC_uM>
0.650000

>  <TG_uM>
0.160000

>  <RL_uM>
0.032000

>  <set>
1

$$$$
51-2
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 40  0  0  0  0  0  0  0  0999 V2000
   -3.4642   -0.9301   -2.5367 N   0  0  0  0  0  0
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M  END
>  <Name>
51-2

>  <Family>
misc

>  <PC_uM>
0.220000

>  <TG_uM>
0.091000

>  <RL_uM>
0.023000

>  <set>
2

$$$$
51-3
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
51-3

>  <Family>
misc

>  <PC_uM>
7.700000

>  <TG_uM>
4.700000

>  <RL_uM>
1.600000

>  <set>
0

$$$$
51-4
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
51-4

>  <Family>
misc

>  <PC_uM>
0.170000

>  <TG_uM>
0.300000

>  <RL_uM>
0.055000

>  <set>
1

$$$$
51-5
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
51-5

>  <Family>
misc

>  <PC_uM>
0.700000

>  <TG_uM>
0.340000

>  <RL_uM>
0.092000

>  <set>
2

$$$$
51-6
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
51-6

>  <Family>
misc

>  <PC_uM>
15.800000

>  <TG_uM>
0.180000

>  <RL_uM>
0.640000

>  <set>
0

$$$$
51-7
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
51-7

>  <Family>
misc

>  <PC_uM>
38.400000

>  <TG_uM>
0.570000

>  <RL_uM>
3.200000

>  <set>
0

$$$$
51-9
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
51-9

>  <Family>
misc

>  <PC_uM>
8.600000

>  <TG_uM>
0.150000

>  <RL_uM>
0.600000

>  <set>
0

$$$$
51-8
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
51-8

>  <Family>
misc

>  <PC_uM>
6.700000

>  <TG_uM>
0.110000

>  <RL_uM>
0.240000

>  <set>
0

$$$$
51-10
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
51-10

>  <Family>
misc

>  <PC_uM>
>0.4

>  <TG_uM>
0.460000

>  <RL_uM>
2.400000

>  <set>
0

$$$$
46-210057
  Cerius2 12180216033D 1   1.00000                          
 Structure written by MMmdl.
 39 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>
46-210057

>  <Family>
misc

>  <PC_uM>
>30

>  <TG_uM>
N/A

>  <RL_uM>
N/A

>  <set>
2

$$$$
