=
 OpenBabel07272015383D

 18 19  0  0  1  0  0  0  0  0999 V2000
   34.9430  -44.6790   75.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9810  -45.3120   74.1360 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.8000  -45.4860   73.4300 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.5650  -45.0460   73.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5600  -44.4150   75.1790 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.7310  -44.2300   75.8970 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.3080  -45.2470   73.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1600  -44.5040   73.4380 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.9830  -44.6880   72.7230 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.9280  -45.6270   71.7060 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.0510  -46.3710   71.4040 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.2300  -46.1900   72.1180 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.0990  -44.4850   76.1000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.4420  -44.6700   76.3250 C   0  0  0  0  0  1  0  0  0  0  0  0
   37.3130  -44.2430   75.3990 C   0  0  2  0  0  3  0  0  0  0  0  0
   37.3440  -42.7630   75.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7170  -42.4800   73.8720 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.9800  -41.9400   75.8900 O   0  0  0  0  0  1  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  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 18  1  0  0  0  0
 17 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

$$$$
=
 OpenBabel07272015383D

 18 19  0  0  1  0  0  0  0  0999 V2000
   32.0500  -45.3100   74.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9770  -45.9810   73.3150 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.3280  -45.8550   73.6020 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.7920  -45.0680   74.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8350  -44.4060   75.4450 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.4790  -44.5220   75.1760 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.2510  -44.9480   74.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1130  -46.0300   74.7440 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.4720  -45.9310   75.0130 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.9980  -44.7470   75.5040 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.1650  -43.6660   75.7140 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.8040  -43.7630   75.4470 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.7000  -45.4190   73.8560 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0680  -44.0450   72.8440 C   0  0  0  0  0  1  0  0  0  0  0  0
   30.2080  -45.0170   72.5830 C   0  0  2  0  0  3  0  0  0  0  0  0
   29.7880  -46.2760   71.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6430  -46.7120   72.0560 O   0  0  0  0  0  1  0  0  0  0  0  0
   30.6060  -46.7740   71.0310 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  7  1  0  0  0  0
  4  5  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 17  1  0  0  0  0
 16 15  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
2

>  <REMARK>
 VINA RESULT:      -5.8      3.237      7.165
  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>
3.237

>  <RMSD_UB>
7.165

$$$$
=
 OpenBabel07272015383D

 18 19  0  0  1  0  0  0  0  0999 V2000
   31.4470  -45.1280   73.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4190  -45.8820   73.0110 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.7210  -45.8640   73.4870 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.0930  -45.1050   74.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0930  -44.3560   75.2400 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.7850  -44.3650   74.7800 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.5020  -45.1010   75.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9820  -44.0510   75.8860 C   0  0  0  0  0  3  0  0  0  0  0  0
   37.2950  -44.0350   76.3430 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.1580  -45.0670   76.0130 C   0  0  0  0  0  3  0  0  0  0  0  0
   37.7030  -46.1140   75.2350 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.3900  -46.1320   74.7760 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.1430  -45.1290   73.2210 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2510  -43.3800   71.9090 C   0  0  0  0  0  1  0  0  0  0  0  0
   29.8790  -44.7650   71.8710 C   0  0  2  0  0  3  0  0  0  0  0  0
   28.9750  -45.8380   71.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4260  -45.5710   70.1850 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8580  -46.9120   71.8930 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  7  1  0  0  0  0
  4  5  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  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      3.605      7.128
  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>
-5.8

>  <RMSD_LB>
3.605

>  <RMSD_UB>
7.128

$$$$
=
 OpenBabel07272015383D

 18 19  0  0  1  0  0  0  0  0999 V2000
   34.0470  -41.9620   78.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0270  -42.8940   78.6480 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.8040  -43.7600   77.5880 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.6180  -43.7290   76.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6510  -42.7810   77.2000 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.8580  -41.9050   78.2550 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.4020  -44.6730   75.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1840  -45.3420   75.5520 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.9750  -46.2280   74.5030 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.9850  -46.4700   73.5870 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.1960  -45.8190   73.7190 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.4080  -44.9330   74.7690 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.2400  -41.0830   80.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.8990  -39.5050   79.4490 C   0  0  0  0  0  1  0  0  0  0  0  0
   34.4180  -39.7020   79.7310 C   0  0  2  0  0  3  0  0  0  0  0  0
   33.9040  -38.9060   80.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6660  -38.8080   81.9090 O   0  0  0  0  0  1  0  0  0  0  0  0
   32.7710  -38.3940   80.8400 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10 11  2  0  0  0  0
 10  9  1  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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
4

>  <REMARK>
 VINA RESULT:      -5.7      4.132      5.378
  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>
4.132

>  <RMSD_UB>
5.378

$$$$
=
 OpenBabel07272015383D

 18 19  0  0  1  0  0  0  0  0999 V2000
   35.1110  -44.9490   75.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3340  -44.3260   76.1500 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.9820  -44.1290   75.9120 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.3710  -44.5360   74.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1790  -45.1590   73.7570 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.5320  -45.3670   73.9790 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.9150  -44.3100   74.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3330  -44.6040   73.2480 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.9790  -44.3920   73.0200 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.1780  -43.8730   74.0240 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.7330  -43.5780   75.2540 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.0870  -43.7890   75.4850 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.4550  -45.1650   75.3840 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.4810  -45.7510   74.3210 C   0  0  0  0  0  1  0  0  0  0  0  0
   37.3810  -44.7040   74.4070 C   0  0  2  0  0  3  0  0  0  0  0  0
   37.8700  -43.3270   74.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.9280  -43.2880   75.5070 O   0  0  0  0  0  1  0  0  0  0  0  0
   37.1950  -42.3360   74.5090 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  7 12  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  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 17  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
5

>  <REMARK>
 VINA RESULT:      -5.7      1.315      2.281
  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>
1.315

>  <RMSD_UB>
2.281

$$$$
=
 OpenBabel07272015383D

 18 19  0  0  1  0  0  0  0  0999 V2000
   35.8460  -45.0340   75.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6920  -45.6730   74.4190 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.4450  -45.6830   73.8140 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.3280  -45.0720   74.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5150  -44.4400   75.6400 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.7560  -44.4170   76.2580 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.9960  -45.0990   73.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7080  -46.0500   72.7500 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.4730  -46.0800   72.1140 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.5000  -45.1510   72.4440 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.7640  -44.2030   73.4140 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.9990  -44.1710   74.0510 C   0  0  0  0  0  3  0  0  0  0  0  0
   37.0740  -45.0010   76.2720 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.3100  -43.1220   74.8630 C   0  0  0  0  0  1  0  0  0  0  0  0
   38.0060  -43.9940   75.8950 C   0  0  2  0  0  3  0  0  0  0  0  0
   39.2570  -44.6950   75.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.3510  -44.3150   75.8320 O   0  0  0  0  0  1  0  0  0  0  0  0
   39.1030  -45.6070   74.5370 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 14  1  6  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>
6

>  <REMARK>
 VINA RESULT:      -5.5      1.448      2.150
  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>
1.448

>  <RMSD_UB>
2.150

$$$$
=
 OpenBabel07272015383D

 18 19  0  0  1  0  0  0  0  0999 V2000
   35.8220  -42.1190   77.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9570  -40.7360   77.3540 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.3760  -40.0820   78.4290 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.6510  -40.7690   79.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5330  -42.1580   79.2780 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.1100  -42.8300   78.2110 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.0340  -40.0410   80.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8230  -39.3020   81.4470 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.2590  -38.6250   82.5220 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.8920  -38.6800   82.7370 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.0950  -39.4040   81.8720 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.6560  -40.0830   80.7960 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.3930  -42.8000   76.1940 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.9830  -44.5450   76.2410 C   0  0  0  0  0  1  0  0  0  0  0  0
   36.4980  -44.2170   76.2720 C   0  0  2  0  0  3  0  0  0  0  0  0
   35.7090  -44.8040   75.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2130  -45.7810   74.5180 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.6110  -44.2830   74.8280 O   0  0  0  0  0  1  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 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  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <MODEL>
7

>  <REMARK>
 VINA RESULT:      -5.2      5.042      7.639
  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>
-5.2

>  <RMSD_LB>
5.042

>  <RMSD_UB>
7.639

$$$$
=
 OpenBabel07272015383D

 18 19  0  0  1  0  0  0  0  0999 V2000
   33.9370  -44.1400   76.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9940  -43.6930   77.4190 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.8080  -42.5880   78.2350 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.5870  -41.9000   78.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5440  -42.3730   77.4820 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.7100  -43.4790   76.6620 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.4140  -40.7120   79.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4640  -40.2590   79.9780 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.3110  -39.1570   80.8110 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.0990  -38.4880   80.8610 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.0490  -38.9180   80.0730 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.1990  -40.0210   79.2400 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.0870  -45.2390   75.8130 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.6280  -46.0800   73.6550 C   0  0  0  0  0  1  0  0  0  0  0  0
   34.4040  -45.0340   74.4410 C   0  0  2  0  0  3  0  0  0  0  0  0
   35.9180  -45.1470   74.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4550  -46.1740   74.7550 O   0  0  0  0  0  1  0  0  0  0  0  0
   36.5160  -44.2200   73.7140 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 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>
8

>  <REMARK>
 VINA RESULT:      -5.1      4.047      6.722
  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>
4.047

>  <RMSD_UB>
6.722

$$$$
=
 OpenBabel07272015383D

 18 19  0  0  1  0  0  0  0  0999 V2000
   34.7830  -43.5140   77.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4850  -42.9340   78.5520 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.8800  -41.9340   79.2970 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.5800  -41.4840   79.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9010  -42.0860   77.9530 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.4900  -43.0900   77.1990 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.9520  -40.4040   79.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6620  -39.9490   79.5500 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.0700  -38.9400   80.3000 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.7620  -38.3580   81.3500 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.0380  -38.7940   81.6500 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.6320  -39.8030   80.9010 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.3540  -44.5150   76.7420 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.8330  -45.5620   74.6810 C   0  0  0  0  0  1  0  0  0  0  0  0
   35.7350  -44.2270   75.4010 C   0  0  2  0  0  3  0  0  0  0  0  0
   37.0480  -43.4510   75.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0400  -42.2980   74.9780 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0320  -44.0110   75.9720 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  3  1  0  0  0  0
  4  7  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  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  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>
9

>  <REMARK>
 VINA RESULT:      -5.0      4.531      6.799
  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>
4.531

>  <RMSD_UB>
6.799

$$$$
