=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   29.7070  -45.4080   71.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7920  -46.2730   71.7870 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.8970  -46.1200   72.6100 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.9510  -45.1050   73.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8450  -44.2500   73.6770 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.7300  -44.3900   72.8650 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.1380  -44.9330   74.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0100  -44.4490   75.7680 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.1240  -44.3000   76.5870 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.3810  -44.6360   76.1270 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.5320  -45.1170   74.8370 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.4210  -45.2670   74.0160 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.6170  -45.5710   71.0870 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3460  -44.6160   68.9450 C   0  0  0  0  0  1  0  0  0  0  0  0
   28.8390  -45.8360   69.7070 C   0  0  2  0  0  3  0  0  0  0  0  0
   28.0990  -47.1240   69.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7480  -48.1880   69.3730 O   0  0  0  0  0  1  0  0  0  0  0  0
   26.8920  -47.0200   69.0660 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 17  1  0  0  0  0
 16 15  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
1

>  <REMARK>
 VINA RESULT:    -5.172      0.000      0.000
 INTER + INTRA:          -7.229
 INTER:                  -6.351
 INTRA:                  -0.878
 UNBOUND:                -0.847
  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>
-5.172

>  <RMSD_LB>
0.000

>  <RMSD_UB>
0.000

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   34.4560  -44.6880   75.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5320  -45.2460   74.0160 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.3780  -45.4020   73.2620 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.1270  -45.0120   73.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0840  -44.4560   75.0420 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.2260  -44.2890   75.8090 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.8820  -45.1790   72.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7300  -44.4350   73.2230 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.5780  -44.5960   72.4600 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.5540  -45.4920   71.4100 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.6840  -46.2400   71.1230 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.8360  -46.0820   71.8830 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.6100  -44.5410   76.0290 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.8880  -45.1540   75.9360 C   0  0  0  0  0  1  0  0  0  0  0  0
   36.8230  -44.2400   75.3500 C   0  0  2  0  0  3  0  0  0  0  0  0
   37.1060  -42.7530   75.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3280  -42.1070   76.2770 O   0  0  0  0  0  1  0  0  0  0  0  0
   38.0930  -42.2820   74.9500 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  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 16  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
 18 16  2  0  0  0  0
M  END
>  <MODEL>
2

>  <REMARK>
 VINA RESULT:    -5.033      4.325      7.701
 INTER + INTRA:          -7.057
 INTER:                  -6.187
 INTRA:                  -0.870
 UNBOUND:                -0.847
  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>
-5.033

>  <RMSD_LB>
4.325

>  <RMSD_UB>
7.701

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   34.4700  -44.7010   75.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2470  -44.2850   75.7950 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.0890  -44.4400   75.0490 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.1170  -45.0060   73.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3630  -45.4120   73.2670 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.5310  -45.2680   74.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.8750  -45.1730   72.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7980  -46.1080   71.9210 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.6320  -46.2580   71.1790 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.5200  -45.4890   71.4600 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.5740  -44.5560   72.4830 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.7380  -44.4040   73.2260 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.6130  -44.5380   76.0220 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.8900  -45.1570   75.9520 C   0  0  0  0  0  1  0  0  0  0  0  0
   36.8340  -44.2400   75.3560 C   0  0  2  0  0  3  0  0  0  0  0  0
   37.1190  -42.7540   75.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3270  -42.1030   76.2650 O   0  0  0  0  0  1  0  0  0  0  0  0
   38.1210  -42.2890   74.9790 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 16  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
 18 16  2  0  0  0  0
M  END
>  <MODEL>
3

>  <REMARK>
 VINA RESULT:    -5.018      4.326      7.854
 INTER + INTRA:          -7.038
 INTER:                  -6.159
 INTRA:                  -0.880
 UNBOUND:                -0.847
  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>
-5.018

>  <RMSD_LB>
4.326

>  <RMSD_UB>
7.854

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   35.0480  -45.1380   74.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8570  -44.5750   75.6960 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.5780  -44.2420   76.1160 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.4630  -44.4560   75.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6880  -45.0210   74.0320 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.9590  -45.3640   73.5970 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.0850  -44.0970   75.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7180  -44.1400   77.0900 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.4320  -43.7980   77.4910 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.4910  -43.3990   76.5630 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.8320  -43.3490   75.2210 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.1170  -43.6910   74.8170 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.3250  -45.4610   74.0310 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.7390  -43.8990   72.9670 C   0  0  0  0  0  1  0  0  0  0  0  0
   37.3800  -44.5440   74.2970 C   0  0  2  0  0  3  0  0  0  0  0  0
   38.5240  -45.3280   74.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.9890  -44.9030   76.0100 O   0  0  0  0  0  1  0  0  0  0  0  0
   38.9280  -46.3350   74.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  7  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  1  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 17  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
4

>  <REMARK>
 VINA RESULT:    -4.495      4.846      7.511
 INTER + INTRA:          -6.394
 INTER:                  -5.488
 INTRA:                  -0.906
 UNBOUND:                -0.847
  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>
-4.495

>  <RMSD_LB>
4.846

>  <RMSD_UB>
7.511

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   31.8690  -44.7830   74.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5940  -44.3560   75.8830 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.9780  -44.4450   75.8780 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.6710  -44.9600   74.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9130  -45.3820   73.6740 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.5290  -45.2990   73.6590 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.1600  -45.0590   74.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8140  -46.2640   75.0420 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.2020  -46.3450   75.0230 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.9640  -45.2340   74.7210 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.3370  -44.0290   74.4450 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.9500  -43.9460   74.4640 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.4940  -44.6920   74.7920 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9610  -43.1140   75.6490 C   0  0  0  0  0  1  0  0  0  0  0  0
   29.8870  -43.4410   74.4880 C   0  0  2  0  0  3  0  0  0  0  0  0
   29.1720  -43.5880   73.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4880  -44.6150   72.9650 O   0  0  0  0  0  1  0  0  0  0  0  0
   29.3360  -42.6740   72.3170 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  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 12  1  0  0  0  0
 11 10  2  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
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
5

>  <REMARK>
 VINA RESULT:    -4.456      2.802      4.420
 INTER + INTRA:          -6.346
 INTER:                  -5.471
 INTRA:                  -0.874
 UNBOUND:                -0.847
  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>
-4.456

>  <RMSD_LB>
2.802

>  <RMSD_UB>
4.420

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   30.1590  -45.1730   72.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3110  -44.2370   73.8150 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.5220  -44.1350   74.4820 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.6070  -44.9580   74.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4220  -45.8900   73.1210 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.2200  -46.0040   72.4410 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.9120  -44.8540   74.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9860  -44.4110   76.1930 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.2080  -44.3250   76.8500 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.3760  -44.6840   76.2070 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.3260  -45.1240   74.8940 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.1060  -45.2120   74.2350 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.9490  -45.2650   72.1400 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0620  -43.8110   70.5050 C   0  0  0  0  0  1  0  0  0  0  0  0
   28.9120  -45.0510   70.7340 C   0  0  2  0  0  3  0  0  0  0  0  0
   28.3490  -46.3150   70.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3030  -47.3490   70.7850 O   0  0  0  0  0  1  0  0  0  0  0  0
   27.9880  -46.2290   68.9000 O   0  0  0  0  0  0  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  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>
6

>  <REMARK>
 VINA RESULT:    -4.431      1.027      1.596
 INTER + INTRA:          -6.314
 INTER:                  -5.451
 INTRA:                  -0.863
 UNBOUND:                -0.847
  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>
-4.431

>  <RMSD_LB>
1.027

>  <RMSD_UB>
1.596

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   33.6480  -44.6160   75.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3170  -44.2060   75.6710 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.5960  -44.3490   74.4950 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.1780  -44.8980   73.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5190  -45.2990   73.4280 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.2550  -45.1670   74.5950 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.4070  -45.0540   72.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4920  -44.1080   71.0500 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.7730  -44.2680   69.8710 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.9660  -45.3730   69.6870 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.8660  -46.3220   70.6920 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.5830  -46.1640   71.8720 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.3530  -44.4640   76.8950 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.4970  -43.4750   76.8640 C   0  0  0  0  0  1  0  0  0  0  0  0
   35.0210  -43.2310   77.1390 C   0  0  2  0  0  3  0  0  0  0  0  0
   34.7180  -42.8180   78.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5670  -42.4160   78.8330 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.6550  -42.8950   79.3940 O   0  0  0  0  0  1  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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 13 15  1  0  0  0  0
 15 14  1  1  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>
7

>  <REMARK>
 VINA RESULT:    -4.316      4.223      7.874
 INTER + INTRA:          -6.172
 INTER:                  -5.375
 INTRA:                  -0.797
 UNBOUND:                -0.847
  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>
-4.316

>  <RMSD_LB>
4.223

>  <RMSD_UB>
7.874

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   33.8680  -41.9590   79.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8200  -42.8590   78.5640 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.5510  -43.6120   77.4310 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.3340  -43.4920   76.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3960  -42.5790   77.2530 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.6490  -41.8160   78.3830 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.0380  -44.3000   75.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0330  -45.0440   74.8870 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.7420  -45.7980   73.7550 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.4580  -45.8340   73.2480 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.4570  -45.1040   73.8690 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.7450  -44.3490   74.9990 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.1480  -41.2200   80.1690 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.0900  -39.8990   80.4150 C   0  0  0  0  0  1  0  0  0  0  0  0
   34.6230  -39.8870   80.0130 C   0  0  2  0  0  3  0  0  0  0  0  0
   33.7510  -38.9830   80.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1550  -38.7150   82.0280 O   0  0  0  0  0  1  0  0  0  0  0  0
   32.6800  -38.5860   80.3810 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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 15 13  1  0  0  0  0
 15 14  1  1  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>
8

>  <REMARK>
 VINA RESULT:    -4.269      6.047      9.402
 INTER + INTRA:          -6.115
 INTER:                  -5.252
 INTRA:                  -0.863
 UNBOUND:                -0.847
  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>
-4.269

>  <RMSD_LB>
6.047

>  <RMSD_UB>
9.402

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   31.8630  -44.2790   75.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8100  -43.9320   76.5970 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.1500  -44.2170   76.3810 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.5790  -44.8520   75.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6030  -45.1890   74.2600 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.2590  -44.9100   74.4580 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.0190  -45.1620   74.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5500  -46.4260   75.2450 C   0  0  0  0  0  3  0  0  0  0  0  0
   37.8920  -46.7040   75.0130 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.7280  -45.7340   74.4950 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.2240  -44.4750   74.2150 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.8830  -44.1950   74.4460 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.5360  -43.9930   75.8660 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0950  -43.9060   77.7340 C   0  0  0  0  0  1  0  0  0  0  0  0
   30.1950  -43.1750   76.9800 C   0  0  2  0  0  3  0  0  0  0  0  0
   29.7750  -41.8110   76.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4860  -40.8290   76.7320 O   0  0  0  0  0  1  0  0  0  0  0  0
   28.7350  -41.7700   75.7560 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  8  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 12  1  0  0  0  0
 11 10  2  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
 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:    -4.086      4.322      5.863
 INTER + INTRA:          -5.889
 INTER:                  -5.041
 INTRA:                  -0.848
 UNBOUND:                -0.847
  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>
-4.086

>  <RMSD_LB>
4.322

>  <RMSD_UB>
5.863

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   32.4850  -43.9120   76.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6760  -42.8460   76.6220 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.1350  -41.9410   77.5670 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.4030  -42.0740   78.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1920  -43.1570   77.7360 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.7520  -44.0700   76.7900 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.9020  -41.1040   79.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0380  -40.5050   80.0890 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.5170  -39.6080   81.0370 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.8620  -39.2960   81.0900 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.7340  -39.8770   80.1850 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.2590  -40.7740   79.2360 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.0150  -44.8050   75.2950 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.0070  -44.9090   73.1620 C   0  0  0  0  0  1  0  0  0  0  0  0
   32.2780  -44.5550   73.9190 C   0  0  2  0  0  3  0  0  0  0  0  0
   33.4900  -45.3920   73.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5210  -44.7870   73.1650 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.3590  -46.6310   73.5620 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  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>
10

>  <REMARK>
 VINA RESULT:    -3.864      4.198      6.358
 INTER + INTRA:          -5.614
 INTER:                  -4.819
 INTRA:                  -0.795
 UNBOUND:                -0.847
  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>
-3.864

>  <RMSD_LB>
4.198

>  <RMSD_UB>
6.358

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   31.3580  -45.5460   72.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5990  -44.6090   73.5480 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.1250  -44.0020   74.6780 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.4100  -44.3120   75.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1470  -45.2590   74.4160 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.6400  -45.8740   73.2820 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.9800  -43.6630   76.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2490  -44.0020   76.8390 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.7710  -43.3860   77.9710 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.0470  -42.4170   78.6380 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.7880  -42.0670   78.1780 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.2640  -42.6810   77.0480 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.8220  -46.1430   71.7280 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9500  -46.5230   70.3400 C   0  0  0  0  0  1  0  0  0  0  0  0
   29.8050  -45.4560   71.0070 C   0  0  2  0  0  3  0  0  0  0  0  0
   30.4930  -44.5120   70.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1240  -43.3210   70.0120 O   0  0  0  0  0  1  0  0  0  0  0  0
   31.3700  -45.0040   69.2890 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  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
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
11

>  <REMARK>
 VINA RESULT:    -3.815      1.952      3.250
 INTER + INTRA:          -5.554
 INTER:                  -4.745
 INTRA:                  -0.809
 UNBOUND:                -0.847
  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>
-3.815

>  <RMSD_LB>
1.952

>  <RMSD_UB>
3.250

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   32.2840  -43.5360   76.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0400  -44.3640   75.8610 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.4980  -44.8300   74.6730 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.1970  -44.4880   74.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4620  -43.6560   75.1380 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.9880  -43.1780   76.3280 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.6080  -44.9880   73.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3020  -45.8780   72.1790 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.7400  -46.3400   70.9950 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.4750  -45.9350   70.6160 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.7700  -45.0540   71.4190 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.3300  -44.5900   72.6030 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.8350  -43.0830   77.8690 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.9400  -42.7480   78.8830 C   0  0  0  0  0  1  0  0  0  0  0  0
   33.9850  -42.2480   77.8110 C   0  0  2  0  0  3  0  0  0  0  0  0
   33.5220  -40.8080   78.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5920  -40.3360   79.1680 O   0  0  0  0  0  1  0  0  0  0  0  0
   33.0870  -40.2070   77.0150 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 14  1  1  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
12

>  <REMARK>
 VINA RESULT:    -3.786      4.408      7.831
 INTER + INTRA:          -5.519
 INTER:                  -4.598
 INTRA:                  -0.920
 UNBOUND:                -0.847
  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>
-3.786

>  <RMSD_LB>
4.408

>  <RMSD_UB>
7.831

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   33.8940  -44.8410   76.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5270  -44.5730   76.0090 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.8280  -44.6470   74.8140 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.4700  -44.9850   73.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8460  -45.2470   73.6700 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.5600  -45.1810   74.8560 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.7240  -45.0640   72.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9370  -46.1750   72.0030 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.2430  -46.2340   70.8000 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.3100  -45.1880   69.9000 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.0840  -44.0780   70.1990 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.7800  -44.0170   71.4000 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.5760  -44.7610   77.2260 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.0710  -42.4690   77.4870 C   0  0  0  0  0  1  0  0  0  0  0  0
   35.1660  -43.5200   77.5950 C   0  0  2  0  0  3  0  0  0  0  0  0
   36.3510  -43.2770   76.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2620  -44.1290   76.6530 O   0  0  0  0  0  1  0  0  0  0  0  0
   36.3350  -42.2280   75.9930 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
 13 15  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>
13

>  <REMARK>
 VINA RESULT:    -3.588      4.370      7.590
 INTER + INTRA:          -5.274
 INTER:                  -5.523
 INTRA:                   0.249
 UNBOUND:                -0.847
  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>
-3.588

>  <RMSD_LB>
4.370

>  <RMSD_UB>
7.590

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   29.9080  -42.1610   78.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1380  -41.6260   78.0570 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.9310  -42.3010   77.1410 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.5240  -43.5210   76.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2820  -44.0330   76.9880 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.4750  -43.3710   77.9000 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.3730  -44.2530   75.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8320  -44.7980   74.4310 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.6360  -45.4730   73.5200 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.9910  -45.6110   73.7480 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.5470  -45.0800   74.9000 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.7470  -44.4050   75.8130 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.1330  -41.4800   79.3490 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.1370  -41.6270   80.6020 C   0  0  0  0  0  1  0  0  0  0  0  0
   28.5300  -42.2080   80.4130 C   0  0  2  0  0  3  0  0  0  0  0  0
   29.4310  -42.0680   81.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4890  -43.0320   82.4260 O   0  0  0  0  0  1  0  0  0  0  0  0
   30.0360  -40.9880   81.7720 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 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
 15 16  1  0  0  0  0
 16 18  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <MODEL>
14

>  <REMARK>
 VINA RESULT:    -3.353      5.794      8.077
 INTER + INTRA:          -4.984
 INTER:                  -4.037
 INTRA:                  -0.947
 UNBOUND:                -0.847
  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>
-3.353

>  <RMSD_LB>
5.794

>  <RMSD_UB>
8.077

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   30.7120  -44.2990   74.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1780  -43.3250   75.2100 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.9480  -42.8090   76.2410 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.2610  -43.2480   76.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7680  -44.2290   75.5970 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.0140  -44.7550   74.5580 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.0930  -42.6980   77.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4090  -43.1240   77.7760 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.1770  -42.5990   78.8100 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.6550  -41.6360   79.6500 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.3530  -41.1990   79.4640 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.5840  -41.7220   78.4320 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.9340  -44.8040   73.3480 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5390  -43.6470   71.3290 C   0  0  0  0  0  1  0  0  0  0  0  0
   30.4040  -44.6970   72.0100 C   0  0  2  0  0  3  0  0  0  0  0  0
   30.3140  -46.0810   71.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4650  -46.8730   71.8300 O   0  0  0  0  0  1  0  0  0  0  0  0
   31.1120  -46.3320   70.4510 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  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>
15

>  <REMARK>
 VINA RESULT:    -3.233      2.370      3.908
 INTER + INTRA:          -4.836
 INTER:                  -3.928
 INTRA:                  -0.908
 UNBOUND:                -0.847
  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>
-3.233

>  <RMSD_LB>
2.370

>  <RMSD_UB>
3.908

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   29.8580  -45.1260   72.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0270  -44.1700   73.4650 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.2220  -44.1080   74.1660 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.2720  -44.9940   73.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0710  -45.9450   72.8830 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.8850  -46.0200   72.1700 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.5600  -44.9340   74.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7670  -45.3310   74.0610 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.9600  -45.2650   74.7710 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.9780  -44.7950   76.0690 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.7940  -44.3970   76.6680 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.5990  -44.4630   75.9610 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.6640  -45.1770   71.7790 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.6520  -45.1660   69.6350 C   0  0  0  0  0  1  0  0  0  0  0  0
   28.5770  -44.5400   70.5100 C   0  0  2  0  0  3  0  0  0  0  0  0
   28.7540  -43.0410   70.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8130  -42.5170   70.3340 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8280  -42.4430   71.3140 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>
16

>  <REMARK>
 VINA RESULT:    -3.186      1.545      2.738
 INTER + INTRA:          -4.778
 INTER:                  -5.024
 INTRA:                   0.245
 UNBOUND:                -0.847
  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>
-3.186

>  <RMSD_LB>
1.545

>  <RMSD_UB>
2.738

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   32.2210  -44.7730   75.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0830  -43.9740   75.4820 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.9970  -42.8020   76.2180 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.0340  -42.3980   77.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1650  -43.2240   77.1480 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.2700  -44.3980   76.4180 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.9470  -41.1390   77.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0770  -40.1050   77.5040 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.0010  -38.9390   78.2580 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.7810  -38.7840   79.3870 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.6500  -39.7950   79.7630 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.7280  -40.9610   79.0110 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.2910  -45.9360   74.8460 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.4070  -45.3870   73.9560 C   0  0  0  0  0  1  0  0  0  0  0  0
   33.0260  -45.9320   73.6280 C   0  0  2  0  0  3  0  0  0  0  0  0
   32.2490  -45.0880   72.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1410  -45.5140   72.2400 O   0  0  0  0  0  1  0  0  0  0  0  0
   32.7870  -44.0320   72.2360 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>
17

>  <REMARK>
 VINA RESULT:    -2.898      3.786      5.853
 INTER + INTRA:          -4.422
 INTER:                  -4.663
 INTRA:                   0.241
 UNBOUND:                -0.847
  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>
-2.898

>  <RMSD_LB>
3.786

>  <RMSD_UB>
5.853

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   30.1940  -42.3500   76.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2910  -43.1020   76.1580 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.2020  -43.8710   75.0070 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.0250  -43.9140   74.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9380  -43.1480   74.6980 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.0100  -42.3710   75.8430 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.9220  -44.7410   73.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7050  -44.9050   72.3410 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.6240  -45.6730   71.1860 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.7500  -46.2840   70.6710 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.9660  -46.1350   71.3190 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.0490  -45.3690   72.4740 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.2970  -41.5930   77.7230 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.7230  -42.6240   79.7680 C   0  0  0  0  0  1  0  0  0  0  0  0
   30.8770  -42.1810   78.8820 C   0  0  2  0  0  3  0  0  0  0  0  0
   31.7860  -41.1380   79.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2910  -40.3940   80.3940 O   0  0  0  0  0  1  0  0  0  0  0  0
   32.9640  -41.0890   79.1200 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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 14  1  1  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
18

>  <REMARK>
 VINA RESULT:    -2.844      4.743      7.872
 INTER + INTRA:          -4.357
 INTER:                  -3.419
 INTRA:                  -0.938
 UNBOUND:                -0.847
  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>
-2.844

>  <RMSD_LB>
4.743

>  <RMSD_UB>
7.872

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   31.9390  -43.3730   76.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0640  -42.2360   76.9210 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.1350  -41.9880   77.9200 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.0610  -42.8580   78.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9610  -43.9920   77.3290 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.8830  -44.2590   76.3280 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.0560  -42.5950   79.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3370  -43.6350   79.8180 C   0  0  0  0  0  3  0  0  0  0  0  0
   27.4080  -43.3760   80.8200 C   0  0  0  0  0  3  0  0  0  0  0  0
   27.1840  -42.0840   81.2510 C   0  0  0  0  0  3  0  0  0  0  0  0
   27.8850  -41.0390   80.6720 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.8130  -41.2940   79.6700 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.8680  -43.6060   75.1350 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.9730  -44.5730   75.5920 C   0  0  0  0  0  1  0  0  0  0  0  0
   33.5550  -44.8520   75.1200 C   0  0  2  0  0  3  0  0  0  0  0  0
   33.4720  -45.4080   73.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6380  -44.6110   72.7560 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2270  -46.6240   73.5840 O   0  0  0  0  0  1  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 13  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>
19

>  <REMARK>
 VINA RESULT:    -2.765      5.042      7.259
 INTER + INTRA:          -4.259
 INTER:                  -3.348
 INTRA:                  -0.911
 UNBOUND:                -0.847
  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>
-2.765

>  <RMSD_LB>
5.042

>  <RMSD_UB>
7.259

$$$$
=
 OpenBabel11082111333D

 18 19  0  0  1  0  0  0  0  0999 V2000
   34.0630  -41.9770   69.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9830  -40.6090   69.4860 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.7420  -40.0050   69.3490 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.5560  -40.7420   69.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6710  -42.1170   69.7130 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.9020  -42.7380   69.8560 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.2190  -40.0980   69.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7620  -39.1430   70.2250 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.5160  -38.5460   70.0720 C   0  0  0  0  0  3  0  0  0  0  0  0
   27.7060  -38.8800   69.0050 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.1380  -39.8240   68.0880 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.3830  -40.4220   68.2380 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.3020  -42.5650   69.8710 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.3140  -42.2930   68.6650 C   0  0  0  0  0  1  0  0  0  0  0  0
   36.4610  -41.7420   69.7970 C   0  0  2  0  0  3  0  0  0  0  0  0
   37.1430  -41.7800   71.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.3290  -40.6950   71.7470 O   0  0  0  0  0  1  0  0  0  0  0  0
   37.4840  -42.8990   71.5900 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  4  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 12  1  0  0  0  0
 11 10  2  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
 15 16  1  0  0  0  0
 16 18  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <MODEL>
20

>  <REMARK>
 VINA RESULT:    -1.861      6.211      8.817
 INTER + INTRA:          -3.144
 INTER:                  -2.296
 INTRA:                  -0.847
 UNBOUND:                -0.847
  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>
-1.861

>  <RMSD_LB>
6.211

>  <RMSD_UB>
8.817

$$$$
