=
 OpenBabel09021916103D

 16 18  0  0  1  0  0  0  0  0999 V2000
   35.0590  -45.0990   74.7630 C   0  0  2  0  0  0  0  0  0  0  0  0
   34.0860  -44.5170   76.0710 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.6340  -44.9860   75.2690 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.9250  -45.7580   74.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2710  -45.6170   73.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4120  -44.4980   75.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0250  -44.7450   77.1440 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5510  -45.2630   77.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.8160  -44.1840   77.4030 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.4430  -43.5860   76.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4050  -43.7650   75.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7470  -45.5580   74.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7940  -44.2900   75.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2940  -43.5240   75.1590 S   0  0  0  0  0  0  0  0  0  0  0  0
   36.5060  -45.0170   74.8210 C   0  0  1  0  0  0  0  0  0  0  0  0
   37.4200  -46.0180   74.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  1  0  0  0
  1 15  1  0  0  0  0
  1  2  1  0  0  0  0
  3  6  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  6  2  0  0  0  0
 11 10  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  0  0  0  0
 15 16  1  1  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <MODEL>
1

>  <REMARK>
 VINA RESULT:      -5.2      0.000      0.000
  Name = 
  2 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_5  and  C_7
    2  A    between atoms: C_10  and  C_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 2

>  <SCORE>
-5.2

>  <RMSD_LB>
0.000

>  <RMSD_UB>
0.000

$$$$
=
 OpenBabel09021916103D

 16 18  0  0  1  0  0  0  0  0999 V2000
   33.8500  -44.7820   74.9490 C   0  0  2  0  0  0  0  0  0  0  0  0
   35.4480  -44.9340   74.3020 S   0  0  0  0  0  0  0  0  0  0  0  0
   36.1510  -44.3520   75.7640 C   0  0  2  0  0  0  0  0  0  0  0  0
   35.1930  -44.2700   76.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8900  -44.2950   76.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5630  -44.0470   75.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0840  -42.9300   75.1270 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.5490  -42.2030   74.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.4400  -42.9460   75.1780 N   0  0  0  0  0  0  0  0  0  0  0  0
   39.7680  -44.0930   75.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.6290  -44.8130   76.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2980  -46.1930   72.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5800  -45.0930   72.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2460  -44.2290   74.2080 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.6910  -45.1630   74.1630 C   0  0  1  0  0  0  0  0  0  0  0  0
   32.5530  -46.2320   73.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  1  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  6  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  6  0  0  0
 15 14  1  0  0  0  0
 15  1  1  0  0  0  0
M  END
>  <MODEL>
2

>  <REMARK>
 VINA RESULT:      -5.1      3.519      6.461
  Name = 
  2 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_5  and  C_7
    2  A    between atoms: C_10  and  C_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 2

>  <SCORE>
-5.1

>  <RMSD_LB>
3.519

>  <RMSD_UB>
6.461

$$$$
=
 OpenBabel09021916103D

 16 18  0  0  1  0  0  0  0  0999 V2000
   34.1550  -44.8900   74.8460 C   0  0  2  0  0  0  0  0  0  0  0  0
   33.5430  -45.4590   73.3300 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.9410  -44.9700   73.7330 C   0  0  2  0  0  0  0  0  0  0  0  0
   31.9460  -44.2020   74.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1450  -44.3600   75.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9080  -45.4430   72.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0840  -46.3940   71.8900 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.9280  -46.8760   71.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.9420  -46.5960   71.1840 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.0450  -45.7520   71.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6080  -45.0090   72.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7210  -45.7760   75.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7550  -44.7110   76.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3580  -43.7670   76.0780 S   0  0  0  0  0  0  0  0  0  0  0  0
   35.5680  -44.9910   75.1620 C   0  0  1  0  0  0  0  0  0  0  0  0
   36.4430  -45.9860   74.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1  5  1  6  0  0  0
  2  3  1  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9 10  2  0  0  0  0
  9  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  0  0  0  0
 15 16  1  1  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <MODEL>
3

>  <REMARK>
 VINA RESULT:      -5.1      2.865      3.157
  Name = 
  2 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_5  and  C_7
    2  A    between atoms: C_10  and  C_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 2

>  <SCORE>
-5.1

>  <RMSD_LB>
2.865

>  <RMSD_UB>
3.157

$$$$
=
 OpenBabel09021916103D

 16 18  0  0  1  0  0  0  0  0999 V2000
   35.4680  -44.2850   76.0120 C   0  0  2  0  0  0  0  0  0  0  0  0
   35.6340  -43.2340   77.3770 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.9240  -43.0840   77.5360 C   0  0  2  0  0  0  0  0  0  0  0  0
   33.2810  -43.9920   76.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1450  -44.4850   75.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4770  -42.0640   78.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3130  -42.1050   79.1500 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.6670  -42.8470   79.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.1550  -40.9870   79.9040 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.2330  -40.2370   79.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0780  -40.8670   78.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2550  -46.2920   74.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.8910  -45.1210   74.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.8500  -43.8130   74.6940 S   0  0  0  0  0  0  0  0  0  0  0  0
   36.6380  -44.8400   75.3570 C   0  0  1  0  0  0  0  0  0  0  0  0
   36.9580  -46.1570   75.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  1  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  6  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6 11  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 16  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15  1  1  0  0  0  0
M  END
>  <MODEL>
4

>  <REMARK>
 VINA RESULT:      -5.0      3.087      3.265
  Name = 
  2 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_5  and  C_7
    2  A    between atoms: C_10  and  C_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 2

>  <SCORE>
-5.0

>  <RMSD_LB>
3.087

>  <RMSD_UB>
3.265

$$$$
=
 OpenBabel09021916103D

 16 18  0  0  1  0  0  0  0  0999 V2000
   31.7610  -44.8070   73.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3320  -45.4930   73.6390 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.9320  -44.7570   75.0770 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.8920  -44.2050   75.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7360  -44.0450   75.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3660  -44.8290   75.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1000  -43.9460   75.9740 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.7250  -43.1810   76.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.4210  -44.2560   75.9240 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.5090  -45.3430   75.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2530  -45.7270   74.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6050  -45.2080   71.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2670  -46.1350   71.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9240  -46.1090   71.5910 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.6810  -45.0800   72.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3960  -44.6130   72.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  6  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11  6  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15  1  2  0  0  0  0
M  END
>  <MODEL>
5

>  <REMARK>
 VINA RESULT:      -4.7      3.370      6.518
  Name = 
  2 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_5  and  C_7
    2  A    between atoms: C_10  and  C_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 2

>  <SCORE>
-4.7

>  <RMSD_LB>
3.370

>  <RMSD_UB>
6.518

$$$$
=
 OpenBabel09021916103D

 16 18  0  0  1  0  0  0  0  0999 V2000
   34.1060  -42.9810   77.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9300  -42.3760   78.9160 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.5480  -41.4700   79.4050 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.4470  -41.8160   78.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8300  -42.4820   77.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7740  -40.5310   80.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1230  -40.5450   81.6680 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.4460  -41.2130   81.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.5260  -39.5160   82.4570 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.4350  -38.8480   81.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6140  -39.4420   80.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3590  -45.0820   75.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2820  -45.3050   74.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8670  -44.7480   75.4090 S   0  0  0  0  0  0  0  0  0  0  0  0
   34.7640  -43.9010   76.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0910  -44.2280   76.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  6  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6 11  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15  1  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <MODEL>
6

>  <REMARK>
 VINA RESULT:      -4.6      4.927      5.506
  Name = 
  2 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_5  and  C_7
    2  A    between atoms: C_10  and  C_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 2

>  <SCORE>
-4.6

>  <RMSD_LB>
4.927

>  <RMSD_UB>
5.506

$$$$
=
 OpenBabel09021916103D

 16 18  0  0  1  0  0  0  0  0999 V2000
   33.0300  -44.2380   75.6770 C   0  0  2  0  0  0  0  0  0  0  0  0
   34.0800  -45.1160   74.6170 S   0  0  0  0  0  0  0  0  0  0  0  0
   35.4200  -44.8970   75.6780 C   0  0  2  0  0  0  0  0  0  0  0  0
   34.9970  -44.3690   76.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7130  -43.8020   76.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7060  -45.2740   75.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5160  -44.4510   74.4250 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.3190  -43.5060   74.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.6350  -45.1020   74.0180 N   0  0  0  0  0  0  0  0  0  0  0  0
   38.5160  -46.3500   74.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.3250  -46.5010   75.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6560  -43.6590   74.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2430  -43.4950   75.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4370  -43.9650   76.5910 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.6270  -44.0600   75.3510 C   0  0  1  0  0  0  0  0  0  0  0  0
   31.0520  -43.9430   74.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  1  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  6  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6 11  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  1  0  0  0
 15  1  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <MODEL>
7

>  <REMARK>
 VINA RESULT:      -4.6      3.212      6.623
  Name = 
  2 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_5  and  C_7
    2  A    between atoms: C_10  and  C_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 2

>  <SCORE>
-4.6

>  <RMSD_LB>
3.212

>  <RMSD_UB>
6.623

$$$$
=
 OpenBabel09021916103D

 16 18  0  0  1  0  0  0  0  0999 V2000
   38.5200  -43.3470   72.7430 C   0  0  2  0  0  0  0  0  0  0  0  0
   40.0100  -42.5580   72.3490 S   0  0  0  0  0  0  0  0  0  0  0  0
   39.5030  -42.3000   70.7220 C   0  0  2  0  0  0  0  0  0  0  0  0
   38.1600  -42.6100   70.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.6960  -43.4000   71.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5350  -41.8360   69.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.8320  -42.2250   69.8670 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.1950  -42.8820   70.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
   42.5650  -41.5890   68.9170 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.7130  -40.7870   68.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.4400  -40.9040   68.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0960  -45.1840   75.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.3050  -44.1650   76.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4170  -42.8720   75.2310 S   0  0  0  0  0  0  0  0  0  0  0  0
   38.2710  -43.8340   74.0870 C   0  0  1  0  0  0  0  0  0  0  0  0
   38.6330  -45.0340   74.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  1  0  0  0
  1 15  1  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10 11  1  0  0  0  0
 10  9  2  0  0  0  0
 11  6  2  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  0  0  0  0
 15 16  1  6  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <MODEL>
8

>  <REMARK>
 VINA RESULT:      -4.6      6.586      8.750
  Name = 
  2 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_5  and  C_7
    2  A    between atoms: C_10  and  C_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 2

>  <SCORE>
-4.6

>  <RMSD_LB>
6.586

>  <RMSD_UB>
8.750

$$$$
=
 OpenBabel09021916103D

 16 18  0  0  1  0  0  0  0  0999 V2000
   37.7170  -43.6430   74.0280 C   0  0  2  0  0  0  0  0  0  0  0  0
   37.8920  -43.5790   72.3070 S   0  0  0  0  0  0  0  0  0  0  0  0
   39.4300  -42.8130   72.4390 C   0  0  2  0  0  0  0  0  0  0  0  0
   39.8650  -42.8270   73.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.8060  -43.0840   74.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.9700  -42.2960   71.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2160  -42.5530   70.7350 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.8690  -43.1380   71.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.4450  -41.8960   69.5690 N   0  0  0  0  0  0  0  0  0  0  0  0
   40.3280  -41.2160   69.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3870  -41.4300   70.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5520  -45.3650   74.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6300  -44.6830   76.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1360  -43.9290   76.2750 S   0  0  0  0  0  0  0  0  0  0  0  0
   36.5430  -44.2440   74.6330 C   0  0  1  0  0  0  0  0  0  0  0  0
   35.6320  -45.0890   74.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1  5  1  1  0  0  0
  2  3  1  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  7  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  6  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <MODEL>
9

>  <REMARK>
 VINA RESULT:      -4.6      5.569      8.005
  Name = 
  2 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_5  and  C_7
    2  A    between atoms: C_10  and  C_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 2

>  <SCORE>
-4.6

>  <RMSD_LB>
5.569

>  <RMSD_UB>
8.005

$$$$
