=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   34.9890  -44.7290   75.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7740  -44.3230   75.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5980  -44.5060   75.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6020  -45.0920   73.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8400  -45.4880   73.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0250  -45.3160   74.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3410  -45.2900   73.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1700  -44.5940   73.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0040  -44.7840   72.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9810  -45.6590   71.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1290  -46.3590   71.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2960  -46.1720   72.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1480  -44.5380   76.0590 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.4940  -44.7080   76.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.3560  -44.2790   75.3520 C   0  0  2  0  0  0  0  0  0  0  0  0
   37.3740  -42.7950   74.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0060  -41.9850   75.8700 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.7410  -42.4950   73.8440 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  7  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 15 13  1  0  0  0  0
 15 14  1  1  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
1

>  <REMARK>
 VINA RESULT:      -6.3      0.000      0.000
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-6.3

>  <RMSD_LB>
0.000

>  <RMSD_UB>
0.000

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   34.9980  -44.6860   75.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0270  -45.2910   74.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8490  -45.4620   73.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6180  -45.0400   73.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6210  -44.4360   75.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7890  -44.2540   75.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3460  -45.2230   73.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2400  -46.1600   72.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0470  -46.3240   71.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9380  -45.5680   71.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0210  -44.6340   72.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2120  -44.4670   73.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1760  -44.5260   76.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.5270  -44.6480   76.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.3680  -44.2480   75.3630 C   0  0  2  0  0  0  0  0  0  0  0  0
   37.3510  -42.7680   74.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9750  -41.9580   75.8670 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.7000  -42.4690   73.8370 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9 10  2  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 15 13  1  0  0  0  0
 15 14  1  1  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
2

>  <REMARK>
 VINA RESULT:      -6.3      0.096      1.601
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-6.3

>  <RMSD_LB>
0.096

>  <RMSD_UB>
1.601

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   31.4230  -45.1380   73.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7570  -44.3390   74.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0620  -44.3190   75.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0630  -45.0910   74.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6960  -45.8850   73.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3970  -45.9160   73.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4700  -45.0750   75.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9310  -44.0690   75.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2420  -44.0690   76.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1150  -45.0730   76.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.6800  -46.0790   75.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3700  -46.0810   74.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1210  -45.1500   73.1860 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.3430  -43.3440   71.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8600  -44.7730   71.8390 C   0  0  2  0  0  0  0  0  0  0  0  0
   28.8640  -45.7760   71.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2180  -45.4370   70.2530 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7530  -46.8660   71.8580 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  7  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12  7  2  0  0  0  0
 12 11  1  0  0  0  0
 13  1  1  0  0  0  0
 15 14  1  1  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 16 18  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <MODEL>
3

>  <REMARK>
 VINA RESULT:      -5.8      3.643      7.155
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-5.8

>  <RMSD_LB>
3.643

>  <RMSD_UB>
7.155

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   31.4630  -45.3720   73.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4550  -46.2290   73.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7430  -46.1410   73.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0760  -45.2020   74.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0570  -44.3520   75.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7630  -44.4280   74.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4600  -45.1010   75.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4440  -46.0410   74.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7320  -45.9320   75.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0680  -44.8840   76.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1090  -43.9410   76.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8200  -44.0480   75.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1890  -45.4690   73.0500 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3890  -44.4000   71.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8690  -44.7380   71.8720 C   0  0  2  0  0  0  0  0  0  0  0  0
   30.2370  -45.6090   70.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7290  -46.7460   70.6060 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.0380  -45.1270   69.8500 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  6  5  2  0  0  0  0
  7 12  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 11  2  0  0  0  0
 13  1  1  0  0  0  0
 15 14  1  1  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
4

>  <REMARK>
 VINA RESULT:      -5.7      3.372      7.116
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-5.7

>  <RMSD_LB>
3.372

>  <RMSD_UB>
7.116

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   35.2710  -45.3020   74.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2660  -45.6340   73.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9500  -45.2910   73.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6030  -44.6140   75.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6370  -44.2950   76.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9580  -44.6280   75.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1890  -44.2430   75.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6990  -44.2280   76.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3810  -43.8750   77.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5300  -43.5220   76.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9940  -43.5300   74.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3100  -43.8830   74.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5730  -45.6520   74.3380 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.6460  -44.0130   73.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5810  -44.6500   74.4000 C   0  0  2  0  0  0  0  0  0  0  0  0
   38.8790  -45.3250   74.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.6810  -44.6570   75.5150 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.0560  -46.5000   74.4570 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  4  5  2  0  0  0  0
  6  5  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 15  1  0  0  0  0
 13  1  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
5

>  <REMARK>
 VINA RESULT:      -5.7      2.170      3.128
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-5.7

>  <RMSD_LB>
2.170

>  <RMSD_UB>
3.128

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   35.8300  -45.0340   75.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7490  -44.4320   76.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4970  -44.4470   75.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2910  -45.0560   74.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3980  -45.6510   73.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6560  -45.6490   74.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9470  -45.0740   73.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9600  -44.1410   74.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7140  -44.1650   73.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4290  -45.1090   72.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3910  -46.0430   72.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6370  -46.0220   72.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0680  -45.0090   76.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.3190  -42.7990   75.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0480  -44.0980   75.7260 C   0  0  2  0  0  0  0  0  0  0  0  0
   38.7110  -44.7390   74.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7490  -44.0760   73.4540 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.1570  -45.8930   74.6530 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  6  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  7  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 15 14  1  6  0  0  0
 15 13  1  0  0  0  0
 16 18  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <MODEL>
6

>  <REMARK>
 VINA RESULT:      -5.6      1.269      1.698
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-5.6

>  <RMSD_LB>
1.269

>  <RMSD_UB>
1.698

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   35.3500  -44.6860   75.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6310  -45.1070   74.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2600  -44.9060   74.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5720  -44.2870   75.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3230  -43.8760   76.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6950  -44.0660   76.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0970  -44.0690   75.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4150  -43.9690   74.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0400  -43.7730   74.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3160  -43.6810   75.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9710  -43.7770   76.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3460  -43.9730   76.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7110  -44.8950   75.6870 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.5990  -45.5620   74.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4950  -44.5230   74.5590 C   0  0  2  0  0  0  0  0  0  0  0  0
   38.0030  -43.1040   74.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1970  -42.1660   74.6420 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.2020  -42.9800   75.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1  6  2  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  4  1  0  0  0  0
  7 12  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 15 13  1  0  0  0  0
 16 18  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <MODEL>
7

>  <REMARK>
 VINA RESULT:      -5.6      1.766      2.728
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-5.6

>  <RMSD_LB>
1.766

>  <RMSD_UB>
2.728

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   32.1440  -44.8920   74.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7730  -44.3650   75.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1560  -44.3910   75.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9450  -44.9420   74.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2830  -45.4660   73.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9010  -45.4450   73.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4330  -44.9750   74.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1490  -46.1670   74.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.5370  -46.1830   74.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2380  -45.0160   75.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.5490  -43.8230   75.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1620  -43.8040   75.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7690  -44.8610   74.5140 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8760  -43.5400   75.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1310  -43.6400   74.1560 C   0  0  2  0  0  0  0  0  0  0  0  0
   29.8570  -43.6840   72.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6580  -43.0940   71.9030 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8370  -44.2960   72.2850 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  7  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 11  1  0  0  0  0
 13  1  1  0  0  0  0
 15 13  1  0  0  0  0
 15 14  1  1  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <MODEL>
8

>  <REMARK>
 VINA RESULT:      -5.5      3.099      6.864
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-5.5

>  <RMSD_LB>
3.099

>  <RMSD_UB>
6.864

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   34.0370  -44.1480   76.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8450  -43.4300   76.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7400  -42.3700   77.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8120  -42.0010   78.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9960  -42.7430   78.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1210  -43.8040   77.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7050  -40.8620   79.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4630  -40.3800   79.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3780  -39.3220   80.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5230  -38.7310   81.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7630  -39.1920   80.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8520  -40.2490   79.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1250  -45.2010   75.8320 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.6370  -45.8600   73.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4770  -44.9310   74.4800 C   0  0  2  0  0  0  0  0  0  0  0  0
   35.9810  -45.1500   74.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4560  -46.2100   74.7950 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.6360  -44.2400   73.7980 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  7  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13  1  1  0  0  0  0
 15 14  1  6  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
9

>  <REMARK>
 VINA RESULT:      -5.1      4.152      6.861
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-5.1

>  <RMSD_LB>
4.152

>  <RMSD_UB>
6.861

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   35.8450  -42.2310   77.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0840  -42.9180   78.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5460  -42.2360   79.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7510  -40.8600   79.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5220  -40.1980   78.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0650  -40.8630   77.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1760  -40.1210   80.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8090  -40.1720   80.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2870  -39.4820   81.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1130  -38.7390   82.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4700  -38.6740   82.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9940  -39.3620   81.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3760  -42.9230   76.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.2250  -44.3750   76.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7070  -44.2960   76.1830 C   0  0  2  0  0  0  0  0  0  0  0  0
   36.0740  -45.0710   75.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5290  -46.2040   74.7760 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.1520  -44.5080   74.4110 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 15  1  0  0  0  0
 13  1  1  0  0  0  0
 15 14  1  6  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
10

>  <REMARK>
 VINA RESULT:      -5.1      4.978      7.604
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-5.1

>  <RMSD_LB>
4.978

>  <RMSD_UB>
7.604

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   30.7530  -45.6220   71.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8390  -46.5690   72.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7610  -46.4010   73.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6180  -45.2940   73.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5080  -44.3590   72.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5900  -44.5090   71.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6130  -45.1080   74.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9480  -45.4990   74.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8670  -45.3150   75.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4790  -44.7320   76.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1620  -44.3370   76.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2420  -44.5210   75.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8340  -45.8040   69.9920 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8660  -46.8520   69.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4710  -46.0240   70.3380 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.8150  -44.6590   70.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6950  -43.9320   69.5180 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.4570  -44.3570   71.6780 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7 12  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 11  2  0  0  0  0
 13 15  1  0  0  0  0
 13  1  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <MODEL>
11

>  <REMARK>
 VINA RESULT:      -5.0      4.195      7.549
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-5.0

>  <RMSD_LB>
4.195

>  <RMSD_UB>
7.549

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   29.7540  -45.2580   71.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3150  -46.4180   71.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3850  -46.3270   72.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9230  -45.0870   73.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3370  -43.9390   72.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2650  -44.0100   71.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0750  -44.9820   74.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9270  -44.4340   75.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0070  -44.3480   76.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2510  -44.8130   75.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4210  -45.3590   74.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3430  -45.4460   73.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6930  -45.3640   70.4700 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4780  -44.2570   68.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9620  -45.5250   69.0820 C   0  0  2  0  0  0  0  0  0  0  0  0
   28.2480  -46.7920   68.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5250  -47.8590   69.1980 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.4460  -46.6720   67.6700 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12  7  2  0  0  0  0
 12 11  1  0  0  0  0
 13  1  1  0  0  0  0
 15 14  1  6  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
12

>  <REMARK>
 VINA RESULT:      -5.0      4.679      7.828
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-5.0

>  <RMSD_LB>
4.679

>  <RMSD_UB>
7.828

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   36.3320  -43.5500   75.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3870  -44.0640   76.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8760  -43.2580   77.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2910  -41.9290   78.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2440  -41.4420   77.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7640  -42.2320   76.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7470  -41.0570   79.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5670  -40.1750   79.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0450  -39.3640   80.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7000  -39.4080   81.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8690  -40.2750   80.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3880  -41.0870   79.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8330  -44.3630   75.0030 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.8770  -44.0930   72.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0820  -44.0270   74.4080 C   0  0  2  0  0  0  0  0  0  0  0  0
   39.1230  -45.0100   74.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.9870  -44.5730   75.7210 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.0490  -46.1850   74.5260 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7 12  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13  1  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 15 13  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
13

>  <REMARK>
 VINA RESULT:      -5.0      4.649      6.724
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-5.0

>  <RMSD_LB>
4.649

>  <RMSD_UB>
6.724

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   34.8510  -43.5880   77.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5650  -43.1310   77.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9960  -42.1410   77.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6870  -41.5850   79.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9780  -42.0670   79.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5640  -43.0540   78.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0800  -40.5210   79.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8520  -39.7670   80.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2750  -38.7750   81.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9240  -38.5070   81.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1390  -39.2420   80.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7130  -40.2350   79.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4020  -44.5740   76.6620 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.6680  -45.6050   74.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6890  -44.2800   75.3000 C   0  0  2  0  0  0  0  0  0  0  0  0
   37.0370  -43.5650   75.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0600  -44.2440   75.4730 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.0200  -42.3420   75.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12  7  2  0  0  0  0
 12 11  1  0  0  0  0
 13  1  1  0  0  0  0
 15 14  1  6  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
14

>  <REMARK>
 VINA RESULT:      -4.9      4.537      6.848
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-4.9

>  <RMSD_LB>
4.537

>  <RMSD_UB>
6.848

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   32.7590  -43.8790   76.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8540  -42.9310   76.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2580  -42.0120   77.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5630  -42.0150   78.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4480  -42.9820   77.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0640  -43.9070   76.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0030  -41.0300   79.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0900  -40.4290   80.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5140  -39.5170   81.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8510  -39.1930   81.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7720  -39.7760   80.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3520  -40.6870   79.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3430  -44.7870   75.3700 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5790  -44.5930   73.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0560  -44.3220   74.0560 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.9870  -45.0520   73.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1890  -44.5350   71.9770 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.4720  -46.1310   73.4860 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  7  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7 12  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13  1  1  0  0  0  0
 15 14  1  6  0  0  0
 15 13  1  0  0  0  0
 16 18  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <MODEL>
15

>  <REMARK>
 VINA RESULT:      -4.9      4.260      7.379
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-4.9

>  <RMSD_LB>
4.260

>  <RMSD_UB>
7.379

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   35.7560  -43.9150   76.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5340  -42.7890   76.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1460  -41.8970   77.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9780  -42.1010   78.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2150  -43.2420   77.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5900  -44.1460   76.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5530  -41.1450   79.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4760  -40.3190   79.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0660  -39.4280   80.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7340  -39.3350   81.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8030  -40.1430   80.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2090  -41.0350   79.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1530  -44.7900   75.0670 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.6480  -44.3010   73.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5310  -44.8500   74.7190 C   0  0  2  0  0  0  0  0  0  0  0  0
   37.9810  -46.3020   74.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.9270  -46.6870   74.1440 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.3550  -47.0110   75.6710 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  7  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7 12  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13  1  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 15 13  1  0  0  0  0
 16 18  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <MODEL>
16

>  <REMARK>
 VINA RESULT:      -4.8      4.248      6.765
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-4.8

>  <RMSD_LB>
4.248

>  <RMSD_UB>
6.765

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   39.5930  -41.9980   71.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.5480  -42.8420   70.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9580  -43.6680   71.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3930  -43.6770   73.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.4470  -42.8180   73.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0470  -41.9830   72.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7640  -44.5640   74.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2240  -45.8670   74.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.6320  -46.6810   75.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5810  -46.2140   76.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1090  -44.9270   75.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6970  -44.1110   74.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.1710  -41.1860   70.1810 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.3040  -41.7100   69.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.8070  -41.7890   69.0600 C   0  0  2  0  0  0  0  0  0  0  0  0
   40.3510  -41.0400   67.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.0740  -40.1130   67.3950 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.2710  -41.3970   67.3010 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13  1  1  0  0  0  0
 15 14  1  1  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
17

>  <REMARK>
 VINA RESULT:      -4.7      5.175      7.515
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-4.7

>  <RMSD_LB>
5.175

>  <RMSD_UB>
7.515

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   32.7270  -43.2690   77.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8890  -42.8910   77.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1190  -43.3650   77.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2240  -44.2240   76.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0370  -44.5870   75.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7980  -44.1210   75.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5440  -44.7390   75.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6830  -46.0300   75.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9190  -46.4950   74.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.0340  -45.6840   74.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.9190  -44.4010   75.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.6860  -43.9340   75.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5120  -42.7920   77.4790 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.6300  -41.7900   79.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4760  -41.5570   78.1850 C   0  0  2  0  0  0  0  0  0  0  0  0
   30.9100  -40.5010   77.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4240  -39.3660   77.2640 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.9550  -40.8450   76.5160 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  6  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7 12  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9 10  2  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 15  1  0  0  0  0
 15 14  1  1  0  0  0
 16 17  1  0  0  0  0
 16 15  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
18

>  <REMARK>
 VINA RESULT:      -4.5      3.887      6.713
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-4.5

>  <RMSD_LB>
3.887

>  <RMSD_UB>
6.713

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   35.3340  -44.2400   76.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2230  -43.3330   77.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9890  -42.7820   77.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8400  -43.1150   77.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9850  -44.0280   76.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2100  -44.5930   75.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5090  -42.5240   77.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2420  -41.9720   78.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0000  -41.4190   78.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0050  -41.3960   77.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2470  -41.9370   76.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4880  -42.4910   76.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5680  -44.7780   76.1370 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0030  -45.7500   74.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1210  -44.5510   74.8450 C   0  0  2  0  0  0  0  0  0  0  0  0
   37.8730  -43.2240   74.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2700  -42.2030   74.5030 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.0500  -43.2560   75.2990 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  7  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13  1  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 15 13  1  0  0  0  0
 16 18  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <MODEL>
19

>  <REMARK>
 VINA RESULT:      -4.4      3.044      4.158
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-4.4

>  <RMSD_LB>
3.044

>  <RMSD_UB>
4.158

$$$$
=
 OpenBabel06141912503D

 18 19  0  0  1  0  0  0  0  0999 V2000
   32.5500  -43.5500   76.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6520  -43.1880   77.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9240  -43.5810   77.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1310  -44.3420   75.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0020  -44.6910   75.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7230  -44.3040   75.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4970  -44.7690   75.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5820  -43.8860   75.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.8510  -44.2990   75.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.0680  -45.5970   74.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0080  -46.4890   74.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7380  -46.0790   75.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2920  -43.1540   77.1350 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.7500  -40.8560   77.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6100  -42.1680   76.3690 C   0  0  2  0  0  0  0  0  0  0  0  0
   29.1670  -42.6320   76.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9380  -43.8550   76.2740 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3130  -41.7520   75.9720 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  6  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  7  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 15 14  1  1  0  0  0
 15 13  1  0  0  0  0
 16 17  1  0  0  0  0
 16 15  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
20

>  <REMARK>
 VINA RESULT:      -4.4      3.679      6.880
  Name = 
  5 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_8
    2  A    between atoms: C_2  and  C_13
    3  A    between atoms: C_8  and  C_9
    4  A    between atoms: C_8  and  O_18
    5  A    between atoms: C_10  and  O_18
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 4

>  <SCORE>
-4.4

>  <RMSD_LB>
3.679

>  <RMSD_UB>
6.880

$$$$
