=
 OpenBabel11082113133D

 18 19  0  0  1  0  0  0  0  0999 V2000
   34.9500  -44.7140   75.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7160  -44.3540   75.8920 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.5660  -44.5710   75.1490 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.6060  -45.1410   73.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8610  -45.4910   73.3550 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.0220  -45.2840   74.0850 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.3530  -45.3630   73.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3280  -46.2560   72.0130 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.1690  -46.4650   71.2770 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.0090  -45.7780   71.5970 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.0120  -44.8930   72.6570 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.1710  -44.6810   73.3950 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.1110  -44.5170   76.0700 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.4560  -44.7090   76.2620 C   0  0  0  0  0  1  0  0  0  0  0  0
   37.3170  -44.2630   75.3590 C   0  0  2  0  0  3  0  0  0  0  0  0
   37.3470  -42.7770   75.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7110  -42.4720   73.8620 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.9910  -41.9700   75.8950 O   0  0  0  0  0  1  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 18  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <MODEL>
1

>  <REMARK>
 VINA RESULT:    -6.314      0.000      0.000
 INTER + INTRA:          -8.427
 INTER:                  -7.803
 INTRA:                  -0.624
 UNBOUND:                -0.636
  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>
-6.314

>  <RMSD_LB>
0.000

>  <RMSD_UB>
0.000

$$$$
=
 OpenBabel11082113133D

 18 19  0  0  1  0  0  0  0  0999 V2000
   31.3820  -45.1000   73.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7260  -44.3660   74.7810 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.0400  -44.3810   75.2220 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.0360  -45.1170   74.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6590  -45.8460   73.4300 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.3500  -45.8400   72.9720 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.4430  -45.1180   75.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3100  -46.1710   74.7570 C   0  0  0  0  0  3  0  0  0  0  0  0
   37.6200  -46.1850   75.2200 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.0890  -45.1460   76.0080 C   0  0  0  0  0  3  0  0  0  0  0  0
   37.2480  -44.0960   76.3210 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.9370  -44.0800   75.8590 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.0870  -45.1010   73.1790 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2410  -43.4140   71.7600 C   0  0  0  0  0  1  0  0  0  0  0  0
   29.8550  -44.8050   71.8060 C   0  0  2  0  0  3  0  0  0  0  0  0
   28.9540  -45.8990   71.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4530  -45.6950   70.1200 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7900  -46.9270   71.9300 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  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 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
 16 18  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <MODEL>
2

>  <REMARK>
 VINA RESULT:    -5.762      3.621      7.123
 INTER + INTRA:          -7.746
 INTER:                  -7.084
 INTRA:                  -0.662
 UNBOUND:                -0.636
  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>
-5.762

>  <RMSD_LB>
3.621

>  <RMSD_UB>
7.123

$$$$
=
 OpenBabel11082113133D

 18 19  0  0  1  0  0  0  0  0999 V2000
   35.4940  -45.0800   75.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0820  -45.5870   74.0710 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.7600  -45.4300   73.6850 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.8200  -44.7790   74.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2650  -44.2810   75.7290 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.5850  -44.4260   76.1300 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.4020  -44.6250   74.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9290  -45.2870   72.9220 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.6120  -45.1450   72.5010 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.7420  -44.3310   73.2070 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.1890  -43.6700   74.3340 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.5060  -43.8090   74.7560 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.8030  -45.2130   75.7120 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.5040  -46.3640   74.5470 C   0  0  0  0  0  1  0  0  0  0  0  0
   37.8420  -45.0110   74.7620 C   0  0  2  0  0  3  0  0  0  0  0  0
   38.7800  -43.9460   75.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.8370  -44.3440   75.8480 O   0  0  0  0  0  1  0  0  0  0  0  0
   38.4380  -42.7520   75.2020 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1  6  1  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  2  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 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>
3

>  <REMARK>
 VINA RESULT:    -5.667      1.386      1.972
 INTER + INTRA:          -7.628
 INTER:                  -7.070
 INTRA:                  -0.559
 UNBOUND:                -0.636
  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>
-5.667

>  <RMSD_LB>
1.386

>  <RMSD_UB>
1.972

$$$$
=
 OpenBabel11082113133D

 18 19  0  0  1  0  0  0  0  0999 V2000
   34.1150  -41.9600   78.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9040  -41.9440   78.2850 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.7150  -42.8210   77.2280 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.7090  -43.7240   76.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9170  -43.7150   77.5350 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.1230  -42.8470   78.5960 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.4810  -44.6570   75.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2430  -45.2820   75.5050 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.0220  -46.1570   74.4490 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.0400  -46.4320   73.5510 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.2700  -45.8250   73.7080 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.4940  -44.9500   74.7640 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.3330  -41.1050   80.0300 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.0140  -39.5840   79.3730 C   0  0  0  0  0  1  0  0  0  0  0  0
   34.5510  -39.7250   79.7620 C   0  0  2  0  0  3  0  0  0  0  0  0
   34.1650  -38.9440   81.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0370  -38.8230   81.8960 O   0  0  0  0  0  1  0  0  0  0  0  0
   33.0150  -38.4660   81.0680 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  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 18  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <MODEL>
4

>  <REMARK>
 VINA RESULT:    -5.658      4.140      5.435
 INTER + INTRA:          -7.618
 INTER:                  -7.098
 INTRA:                  -0.519
 UNBOUND:                -0.636
  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>
-5.658

>  <RMSD_LB>
4.140

>  <RMSD_UB>
5.435

$$$$
=
 OpenBabel11082113133D

 18 19  0  0  1  0  0  0  0  0999 V2000
   33.7650  -41.7160   79.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6070  -41.7930   78.4490 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.5640  -42.6720   77.3780 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.6560  -43.4850   77.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8070  -43.3840   77.8320 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.8670  -42.5130   78.9090 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.5850  -44.4210   75.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7270  -44.7200   75.1310 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.6700  -45.5860   74.0450 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.4660  -46.1650   73.6810 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.3270  -45.8840   74.4090 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.3800  -45.0180   75.4950 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.8380  -40.8580   80.2940 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.3020  -38.5660   80.1140 C   0  0  0  0  0  1  0  0  0  0  0  0
   32.7750  -39.9370   80.5080 C   0  0  2  0  0  3  0  0  0  0  0  0
   32.3580  -40.0440   81.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1660  -40.3260   82.2000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2350  -39.8600   82.8390 O   0  0  0  0  0  1  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
 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>
5

>  <REMARK>
 VINA RESULT:    -5.318      4.637      6.142
 INTER + INTRA:          -7.197
 INTER:                  -6.585
 INTRA:                  -0.612
 UNBOUND:                -0.636
  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>
-5.318

>  <RMSD_LB>
4.637

>  <RMSD_UB>
6.142

$$$$
=
 OpenBabel11082113133D

 18 19  0  0  1  0  0  0  0  0999 V2000
   32.1190  -44.5840   75.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7160  -45.1780   74.2090 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.0980  -45.2840   74.1610 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.9160  -44.8060   75.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2860  -44.2120   76.2960 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.9050  -44.1010   76.3630 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.4010  -44.9310   75.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2260  -43.8290   75.3640 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.6090  -43.9330   75.2890 C   0  0  0  0  0  3  0  0  0  0  0  0
   39.1980  -45.1420   74.9560 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.4010  -46.2430   74.7100 C   0  0  0  0  0  3  0  0  0  0  0  0
   37.0170  -46.1420   74.7840 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.7490  -44.4690   75.4000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5780  -42.4560   75.7900 C   0  0  0  0  0  1  0  0  0  0  0  0
   30.1100  -43.3950   74.7180 C   0  0  2  0  0  3  0  0  0  0  0  0
   29.0270  -43.9930   73.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8530  -43.6360   74.0460 O   0  0  0  0  0  1  0  0  0  0  0  0
   29.3840  -44.7820   72.9290 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1  6  1  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  2  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 13  1  0  0  0  0
 15 14  1  1  0  0  0
 16 17  1  0  0  0  0
 16 15  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
6

>  <REMARK>
 VINA RESULT:    -5.078      3.255      7.043
 INTER + INTRA:          -6.902
 INTER:                  -6.258
 INTRA:                  -0.643
 UNBOUND:                -0.636
  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>
-5.078

>  <RMSD_LB>
3.255

>  <RMSD_UB>
7.043

$$$$
=
 OpenBabel11082113133D

 18 19  0  0  1  0  0  0  0  0999 V2000
   36.0150  -42.2910   77.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3320  -42.9870   78.0050 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.8010  -42.2870   79.0780 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.9340  -40.8960   79.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6280  -40.2240   78.1810 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.1630  -40.9080   77.0990 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.3550  -40.1660   80.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1680  -39.4020   81.2040 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.6400  -38.7240   82.2950 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.2850  -38.8030   82.5720 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.4640  -39.5510   81.7520 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.9900  -40.2310   80.6590 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.5500  -42.9560   75.9290 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.4120  -44.3700   76.2550 C   0  0  0  0  0  1  0  0  0  0  0  0
   36.9030  -44.3270   76.0750 C   0  0  2  0  0  3  0  0  0  0  0  0
   36.4060  -45.0660   74.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5480  -46.3040   74.8220 O   0  0  0  0  0  1  0  0  0  0  0  0
   35.8790  -44.3900   73.9300 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 15  1  0  0  0  0
 13  1  1  0  0  0  0
 15 14  1  6  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
7

>  <REMARK>
 VINA RESULT:    -5.061      4.931      7.619
 INTER + INTRA:          -6.880
 INTER:                  -6.253
 INTRA:                  -0.628
 UNBOUND:                -0.636
  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>
-5.061

>  <RMSD_LB>
4.931

>  <RMSD_UB>
7.619

$$$$
=
 OpenBabel11082113133D

 18 19  0  0  1  0  0  0  0  0999 V2000
   36.7630  -45.1070   75.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6520  -45.4370   74.2890 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.3910  -45.0610   74.7250 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.1980  -44.3610   75.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -44.0450   76.6790 C   0  0  0  0  0  3  0  0  0  0  0  0
   36.6050  -44.4100   76.2570 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.8290  -43.9700   76.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6360  -42.8510   77.1890 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.3660  -42.4820   77.6170 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.2620  -43.2320   77.2440 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.4320  -44.3400   76.4380 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.7010  -44.7120   76.0090 C   0  0  0  0  0  3  0  0  0  0  0  0
   38.0310  -45.4600   74.6520 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.3940  -43.7420   75.5250 C   0  0  0  0  0  1  0  0  0  0  0  0
   38.9320  -44.4330   74.2520 C   0  0  2  0  0  3  0  0  0  0  0  0
   38.1890  -43.5170   73.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9770  -43.9590   72.1380 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.8280  -42.4000   73.7050 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 13  1  0  0  0  0
 15 14  1  1  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>
8

>  <REMARK>
 VINA RESULT:    -4.610      2.766      3.739
 INTER + INTRA:          -6.324
 INTER:                  -6.577
 INTRA:                   0.253
 UNBOUND:                -0.636
  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>
-4.610

>  <RMSD_LB>
2.766

>  <RMSD_UB>
3.739

$$$$
=
 OpenBabel11082113133D

 18 19  0  0  1  0  0  0  0  0999 V2000
   31.3630  -44.6700   73.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6520  -45.8770   72.5020 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.9320  -46.2380   71.3740 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.9170  -45.4260   70.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6500  -44.2180   71.5060 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.3620  -43.8390   72.6340 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.1570  -45.8380   69.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1900  -45.0630   68.4690 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.4800  -45.4350   67.3340 C   0  0  0  0  0  3  0  0  0  0  0  0
   27.7140  -46.5890   67.3410 C   0  0  0  0  0  3  0  0  0  0  0  0
   27.6690  -47.3700   68.4800 C   0  0  0  0  0  3  0  0  0  0  0  0
   28.3770  -47.0000   69.6170 C   0  0  0  0  0  3  0  0  0  0  0  0
   32.0640  -44.2780   74.2530 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.2260  -45.4420   76.3020 C   0  0  0  0  0  1  0  0  0  0  0  0
   32.8600  -45.2420   74.9340 C   0  0  2  0  0  3  0  0  0  0  0  0
   34.2880  -44.7070   74.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6160  -44.0700   76.0050 O   0  0  0  0  0  1  0  0  0  0  0  0
   35.0350  -44.9550   74.0180 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 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
 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>
9

>  <REMARK>
 VINA RESULT:    -4.515      2.478      4.537
 INTER + INTRA:          -6.207
 INTER:                  -5.570
 INTRA:                  -0.636
 UNBOUND:                -0.636
  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>
-4.515

>  <RMSD_LB>
2.478

>  <RMSD_UB>
4.537

$$$$
