=
 OpenBabel11082111323D

 18 19  0  0  1  0  0  0  0  0999 V2000
   35.0120  -44.7440   75.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7970  -44.3470   75.9050 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.6220  -44.5210   75.1900 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.6250  -45.0880   73.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8630  -45.4760   73.3770 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.0480  -45.3130   74.0770 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.3640  -45.2760   73.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2810  -46.1960   72.0840 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.0980  -46.3650   71.3740 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.9750  -45.6320   71.7000 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.0340  -44.7150   72.7360 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.2150  -44.5430   73.4480 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.1720  -44.5630   76.0690 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.5190  -44.7040   76.2810 C   0  0  0  0  0  1  0  0  0  0  0  0
   37.3780  -44.2860   75.3660 C   0  0  2  0  0  3  0  0  0  0  0  0
   37.3780  -42.8020   75.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0020  -41.9980   75.8910 O   0  0  0  0  0  1  0  0  0  0  0  0
   37.7400  -42.4950   73.8620 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 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>
1

>  <REMARK>
 VINA RESULT:    -6.339      0.000      0.000
 INTER + INTRA:          -8.420
 INTER:                  -7.797
 INTRA:                  -0.623
 UNBOUND:                -0.599
  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>
-6.339

>  <RMSD_LB>
0.000

>  <RMSD_UB>
0.000

$$$$
=
 OpenBabel11082111323D

 18 19  0  0  1  0  0  0  0  0999 V2000
   32.0130  -45.3210   74.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9290  -46.0550   73.3740 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.2840  -45.9580   73.6510 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.7600  -45.1300   74.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8140  -44.4030   75.4120 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.4550  -44.4900   75.1520 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.2170  -45.0200   74.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0860  -46.1000   74.7920 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.4430  -45.9820   75.0720 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.9620  -44.7880   75.5320 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.1190  -43.7050   75.7240 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.7630  -43.8200   75.4460 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.6700  -45.4250   73.8360 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0800  -44.0510   72.7610 C   0  0  0  0  0  1  0  0  0  0  0  0
   30.2160  -45.0380   72.5440 C   0  0  2  0  0  3  0  0  0  0  0  0
   29.8020  -46.3050   71.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6050  -46.7790   70.9730 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.6760  -46.7710   72.0620 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 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 18  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <MODEL>
2

>  <REMARK>
 VINA RESULT:    -5.833      3.253      7.161
 INTER + INTRA:          -7.796
 INTER:                  -7.263
 INTRA:                  -0.534
 UNBOUND:                -0.599
  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>
-5.833

>  <RMSD_LB>
3.253

>  <RMSD_UB>
7.161

$$$$
=
 OpenBabel11082111323D

 18 19  0  0  1  0  0  0  0  0999 V2000
   31.4720  -45.0480   73.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4490  -45.6890   72.9100 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.7640  -45.7080   73.3520 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.1370  -45.0910   74.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1320  -44.4530   75.2930 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.8120  -44.4260   74.8690 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.5500  -45.1060   75.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0870  -44.0380   75.7590 C   0  0  0  0  0  3  0  0  0  0  0  0
   37.4030  -44.0680   76.2050 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.2060  -45.1610   75.9460 C   0  0  0  0  0  3  0  0  0  0  0  0
   37.6950  -46.2290   75.2270 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.3800  -46.2020   74.7790 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.1710  -45.0350   73.2170 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5090  -43.2950   71.7650 C   0  0  0  0  0  1  0  0  0  0  0  0
   29.9270  -44.7550   71.8430 C   0  0  2  0  0  3  0  0  0  0  0  0
   28.8610  -45.7310   71.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7970  -46.8450   71.9110 O   0  0  0  0  0  1  0  0  0  0  0  0
   28.1360  -45.3510   70.4150 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  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 17  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
3

>  <REMARK>
 VINA RESULT:    -5.755      3.635      7.293
 INTER + INTRA:          -7.700
 INTER:                  -7.033
 INTRA:                  -0.667
 UNBOUND:                -0.599
  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>
-5.755

>  <RMSD_LB>
3.635

>  <RMSD_UB>
7.293

$$$$
=
 OpenBabel11082111323D

 18 19  0  0  1  0  0  0  0  0999 V2000
   29.8880  -45.4230   72.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9900  -46.2270   71.8500 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.1430  -46.1140   72.6110 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.2310  -45.2010   73.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1060  -44.4060   73.9330 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.9430  -44.5070   73.1850 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.4690  -45.0730   74.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7200  -45.4540   73.9940 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.8670  -45.3240   74.7680 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.7950  -44.8060   76.0460 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.5670  -44.4230   76.5600 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.4180  -44.5520   75.7890 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.7500  -45.5440   71.3710 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2460  -44.2620   69.4530 C   0  0  0  0  0  1  0  0  0  0  0  0
   28.8770  -45.5520   69.9530 C   0  0  2  0  0  3  0  0  0  0  0  0
   28.1970  -46.8160   69.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8390  -47.8830   69.4870 O   0  0  0  0  0  1  0  0  0  0  0  0
   27.0450  -46.6900   68.9770 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  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>
4

>  <REMARK>
 VINA RESULT:    -5.684      4.412      7.709
 INTER + INTRA:          -7.612
 INTER:                  -6.951
 INTRA:                  -0.661
 UNBOUND:                -0.599
  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>
-5.684

>  <RMSD_LB>
4.412

>  <RMSD_UB>
7.709

$$$$
=
 OpenBabel11082111323D

 18 19  0  0  1  0  0  0  0  0999 V2000
   35.3500  -45.2210   74.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3590  -45.4960   73.6940 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.0400  -45.1610   73.9650 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.6770  -44.5500   75.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6970  -44.2890   76.0980 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.0210  -44.6130   75.8440 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.2600  -44.1890   75.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7700  -44.1720   76.7790 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.4490  -43.8280   77.0430 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.5950  -43.4870   76.0130 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.0590  -43.4980   74.7080 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.3780  -43.8420   74.4410 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.6550  -45.5620   74.3530 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.7220  -43.9640   72.9810 C   0  0  0  0  0  1  0  0  0  0  0  0
   37.6500  -44.5450   74.3850 C   0  0  2  0  0  3  0  0  0  0  0  0
   38.9520  -45.1860   74.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.1810  -46.3600   74.5030 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.6930  -44.4940   75.5810 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 11  1  0  0  0  0
 12  7  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>
5

>  <REMARK>
 VINA RESULT:    -5.628      2.153      3.232
 INTER + INTRA:          -7.543
 INTER:                  -6.906
 INTRA:                  -0.637
 UNBOUND:                -0.599
  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>
-5.628

>  <RMSD_LB>
2.153

>  <RMSD_UB>
3.232

$$$$
=
 OpenBabel11082111323D

 18 19  0  0  1  0  0  0  0  0999 V2000
   31.8300  -44.9110   74.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5120  -45.6370   73.2890 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.8890  -45.7830   73.3740 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.6180  -45.2100   74.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9030  -44.4850   75.3880 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.5270  -44.3320   75.3210 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.0990  -45.3610   74.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6820  -46.4760   75.1330 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.0640  -46.6080   75.2110 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.8900  -45.6400   74.6750 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.3350  -44.5270   74.0650 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.9540  -44.3930   73.9860 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.4630  -44.7730   74.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.6050  -43.3530   74.4840 C   0  0  0  0  0  1  0  0  0  0  0  0
   29.9300  -43.5180   73.7570 C   0  0  2  0  0  3  0  0  0  0  0  0
   29.8030  -43.5410   72.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9170  -44.2640   71.7400 O   0  0  0  0  0  1  0  0  0  0  0  0
   30.6100  -42.8440   71.5920 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  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 11  1  0  0  0  0
 12  7  2  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  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
6

>  <REMARK>
 VINA RESULT:    -5.566      3.268      6.816
 INTER + INTRA:          -7.467
 INTER:                  -6.864
 INTRA:                  -0.603
 UNBOUND:                -0.599
  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>
-5.566

>  <RMSD_LB>
3.268

>  <RMSD_UB>
6.816

$$$$
=
 OpenBabel11082111323D

 18 19  0  0  1  0  0  0  0  0999 V2000
   36.0730  -42.0880   76.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2330  -40.7130   77.0420 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.6920  -40.0890   78.1560 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.9800  -40.8120   79.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8350  -42.1930   78.9210 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.3720  -42.8340   77.8150 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.3940  -40.1470   80.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0390  -40.2790   80.6420 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.5070  -39.6580   81.7670 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.3120  -38.9030   82.5970 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.6570  -38.7590   82.2980 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.1910  -39.3780   81.1750 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.6130  -42.6930   75.7580 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.7030  -43.7850   75.6280 C   0  0  0  0  0  1  0  0  0  0  0  0
   37.2190  -43.9730   75.9010 C   0  0  2  0  0  3  0  0  0  0  0  0
   36.5250  -44.9230   74.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6700  -46.1480   75.1130 O   0  0  0  0  0  1  0  0  0  0  0  0
   35.8730  -44.4050   74.0020 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 15  1  0  0  0  0
 13  1  1  0  0  0  0
 15 14  1  6  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>
7

>  <REMARK>
 VINA RESULT:    -5.054      4.898      7.558
 INTER + INTRA:          -6.834
 INTER:                  -6.216
 INTRA:                  -0.618
 UNBOUND:                -0.599
  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>
-5.054

>  <RMSD_LB>
4.898

>  <RMSD_UB>
7.558

$$$$
=
 OpenBabel11082111323D

 18 19  0  0  1  0  0  0  0  0999 V2000
   35.0670  -40.4790   79.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8110  -40.2590   77.8560 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.1340  -41.3250   77.0300 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.7280  -42.6310   77.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9820  -42.8200   78.5070 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.6480  -41.7650   79.3430 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.0730  -43.7830   76.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.3650  -44.3200   76.4220 C   0  0  0  0  0  3  0  0  0  0  0  0
   37.6720  -45.3970   75.5980 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.7010  -45.9660   74.7980 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.4150  -45.4490   74.8110 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.1060  -44.3720   75.6330 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.7570  -39.4100   79.8260 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5970  -38.4940   80.0970 C   0  0  0  0  0  1  0  0  0  0  0  0
   33.6020  -39.4920   80.6530 C   0  0  2  0  0  3  0  0  0  0  0  0
   34.0380  -39.1980   82.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1750  -38.7150   82.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2290  -39.4780   82.9910 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  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
 13 15  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <MODEL>
8

>  <REMARK>
 VINA RESULT:    -5.021      4.808      7.215
 INTER + INTRA:          -6.794
 INTER:                  -6.177
 INTRA:                  -0.616
 UNBOUND:                -0.599
  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>
-5.021

>  <RMSD_LB>
4.808

>  <RMSD_UB>
7.215

$$$$
=
 OpenBabel11082111323D

 18 19  0  0  1  0  0  0  0  0999 V2000
   35.9180  -43.7410   76.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4970  -42.4730   76.7170 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.9420  -41.4470   77.4660 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.8020  -41.6540   78.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2420  -42.9390   78.2540 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.7850  -43.9780   77.5140 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.1990  -40.5530   79.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9130  -40.0720   78.7940 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.3600  -39.0500   79.5580 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.0710  -38.4950   80.6040 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.3470  -38.9560   80.8840 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.9020  -39.9770   80.1220 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.4790  -44.7490   75.9880 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.2510  -45.5320   74.1300 C   0  0  0  0  0  1  0  0  0  0  0  0
   36.4170  -44.6610   74.5700 C   0  0  2  0  0  3  0  0  0  0  0  0
   37.7680  -45.1100   74.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2270  -46.1950   74.4260 O   0  0  0  0  0  1  0  0  0  0  0  0
   38.3290  -44.3480   73.2080 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  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>
9

>  <REMARK>
 VINA RESULT:    -4.647      4.120      6.702
 INTER + INTRA:          -6.333
 INTER:                  -5.734
 INTRA:                  -0.599
 UNBOUND:                -0.599
  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>
-4.647

>  <RMSD_LB>
4.120

>  <RMSD_UB>
6.702

$$$$
