=
 OpenBabel09021916103D

 17 17  0  0  1  0  0  0  0  0999 V2000
   33.6530  -43.4110   76.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5760  -44.3910   75.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3800  -45.0310   75.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9550  -44.6740   76.4480 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   32.2790  -45.9490   74.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3990  -46.2450   73.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6040  -45.6350   73.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6850  -44.7210   75.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2300  -43.9700   75.3420 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   34.3670  -43.9700   78.1430 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.0650  -44.6170   77.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.6770  -44.4160   78.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.1170  -42.9680   78.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2970  -40.4860   78.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3820  -41.6490   79.0800 C   0  0  2  0  0  0  0  0  0  0  0  0
   33.8390  -41.4730   80.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.5070  -41.7050   81.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  2  0  0  0  0
  6  7  2  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8  2  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 10  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  1  0  0  0  0
M  END
>  <MODEL>
1

>  <REMARK>
 VINA RESULT:      -4.7      0.000      0.000
  Name = 
  6 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_3
    2  A    between atoms: C_3  and  C_4
    3  A    between atoms: C_3  and  O_12
    4  A    between atoms: C_4  and  N_11
    5  A    between atoms: C_5  and  C_6
    6  A    between atoms: C_5  and  N_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 5

>  <SCORE>
-4.7

>  <RMSD_LB>
0.000

>  <RMSD_UB>
0.000

$$$$
=
 OpenBabel09021916103D

 17 17  0  0  1  0  0  0  0  0999 V2000
   33.7330  -43.3710   76.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6010  -44.3820   75.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6940  -44.7140   75.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2330  -43.9510   75.3500 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   34.6020  -45.6330   74.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3890  -46.2380   73.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2810  -45.9390   74.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3930  -45.0150   75.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9660  -44.6710   76.4840 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   34.3590  -43.9470   78.1740 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.0640  -44.6080   77.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.6220  -44.3800   78.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.0770  -42.9630   79.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2850  -40.4890   78.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3570  -41.6340   79.1280 C   0  0  2  0  0  0  0  0  0  0  0  0
   33.8170  -41.4200   80.4250 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.9040  -41.7450   80.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  2  1  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 10  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  1  0  0  0  0
M  END
>  <MODEL>
2

>  <REMARK>
 VINA RESULT:      -4.7      0.050      2.418
  Name = 
  6 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_3
    2  A    between atoms: C_3  and  C_4
    3  A    between atoms: C_3  and  O_12
    4  A    between atoms: C_4  and  N_11
    5  A    between atoms: C_5  and  C_6
    6  A    between atoms: C_5  and  N_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 5

>  <SCORE>
-4.7

>  <RMSD_LB>
0.050

>  <RMSD_UB>
2.418

$$$$
=
 OpenBabel09021916103D

 17 17  0  0  1  0  0  0  0  0999 V2000
   32.3950  -40.3690   79.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0640  -39.8760   80.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3520  -39.7680   81.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6680  -40.2240   81.7290 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   32.9360  -39.3050   82.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2650  -38.9350   82.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0080  -39.0260   81.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4040  -39.4890   80.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3840  -39.5920   79.1020 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   32.4090  -41.8600   79.1470 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4350  -42.1470   79.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.8620  -42.2320   79.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.1220  -42.4020   77.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9230  -44.0530   77.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5330  -42.8500   78.2700 C   0  0  2  0  0  0  0  0  0  0  0  0
   34.6810  -43.1590   79.6500 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.8080  -43.1800   80.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 10 12  1  0  0  0  0
 11 10  1  0  0  0  0
 13 15  1  0  0  0  0
 13 10  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
M  END
>  <MODEL>
3

>  <REMARK>
 VINA RESULT:      -4.4      3.645      6.846
  Name = 
  6 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_3
    2  A    between atoms: C_3  and  C_4
    3  A    between atoms: C_3  and  O_12
    4  A    between atoms: C_4  and  N_11
    5  A    between atoms: C_5  and  C_6
    6  A    between atoms: C_5  and  N_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 5

>  <SCORE>
-4.4

>  <RMSD_LB>
3.645

>  <RMSD_UB>
6.846

$$$$
=
 OpenBabel09021916103D

 17 17  0  0  1  0  0  0  0  0999 V2000
   35.7070  -44.9700   76.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2960  -44.4670   75.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7350  -43.6240   76.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6950  -43.1410   78.3280 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   32.4330  -43.1520   76.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6620  -43.5320   75.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1760  -44.3650   74.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4810  -44.8280   74.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0920  -45.8770   73.6700 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   36.7160  -44.0090   75.6040 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.6070  -43.1500   76.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.5360  -43.8900   74.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.1410  -44.4280   75.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0130  -44.3040   73.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7750  -44.8630   74.4670 C   0  0  2  0  0  0  0  0  0  0  0  0
   38.8440  -46.2800   74.3700 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.7630  -46.5450   73.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10  1  1  0  0  0  0
 12 10  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
M  END
>  <MODEL>
4

>  <REMARK>
 VINA RESULT:      -4.4      3.506      4.651
  Name = 
  6 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_3
    2  A    between atoms: C_3  and  C_4
    3  A    between atoms: C_3  and  O_12
    4  A    between atoms: C_4  and  N_11
    5  A    between atoms: C_5  and  C_6
    6  A    between atoms: C_5  and  N_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 5

>  <SCORE>
-4.4

>  <RMSD_LB>
3.506

>  <RMSD_UB>
4.651

$$$$
=
 OpenBabel09021916103D

 17 17  0  0  1  0  0  0  0  0999 V2000
   35.7040  -44.9490   76.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2860  -44.4540   76.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4820  -44.8210   74.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1350  -45.8800   73.7170 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   32.1750  -44.3720   74.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6510  -43.5300   75.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4110  -43.1410   76.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7170  -43.5990   76.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6400  -43.0840   78.3510 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   36.6890  -43.9940   75.5350 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.5620  -43.1120   76.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.5050  -43.9290   74.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.1240  -44.3710   75.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0270  -44.2860   73.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7740  -44.8260   74.4290 C   0  0  2  0  0  0  0  0  0  0  0  0
   38.8450  -46.2440   74.3540 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.5920  -46.5590   74.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  8  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10  1  1  0  0  0  0
 12 10  1  0  0  0  0
 15 14  1  6  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <MODEL>
5

>  <REMARK>
 VINA RESULT:      -4.4      3.508      4.663
  Name = 
  6 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_3
    2  A    between atoms: C_3  and  C_4
    3  A    between atoms: C_3  and  O_12
    4  A    between atoms: C_4  and  N_11
    5  A    between atoms: C_5  and  C_6
    6  A    between atoms: C_5  and  N_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 5

>  <SCORE>
-4.4

>  <RMSD_LB>
3.508

>  <RMSD_UB>
4.663

$$$$
=
 OpenBabel09021916103D

 17 17  0  0  1  0  0  0  0  0999 V2000
   32.4750  -40.3340   79.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0920  -39.8320   80.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4410  -39.4960   80.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4170  -39.6490   79.0740 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   35.0420  -39.0420   81.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2830  -38.9230   82.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9430  -39.2450   82.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3610  -39.6990   81.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6620  -40.0910   81.6700 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   32.4180  -41.8260   79.1170 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4280  -42.0710   79.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.9120  -42.1940   79.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.0220  -42.4330   77.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7160  -44.1620   77.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4290  -42.9390   78.1290 C   0  0  2  0  0  0  0  0  0  0  0  0
   34.6480  -43.2460   79.5000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.2080  -42.5830   80.0540 H   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
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  1  0  0  0  0
  5  6  2  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  8  7  2  0  0  0  0
 10  1  1  0  0  0  0
 10 12  1  0  0  0  0
 11 10  1  0  0  0  0
 13 15  1  0  0  0  0
 13 10  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
M  END
>  <MODEL>
6

>  <REMARK>
 VINA RESULT:      -4.3      3.635      7.246
  Name = 
  6 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_3
    2  A    between atoms: C_3  and  C_4
    3  A    between atoms: C_3  and  O_12
    4  A    between atoms: C_4  and  N_11
    5  A    between atoms: C_5  and  C_6
    6  A    between atoms: C_5  and  N_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 5

>  <SCORE>
-4.3

>  <RMSD_LB>
3.635

>  <RMSD_UB>
7.246

$$$$
=
 OpenBabel09021916103D

 17 17  0  0  1  0  0  0  0  0999 V2000
   32.2710  -45.0390   75.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6250  -44.7830   74.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6180  -43.8300   74.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1180  -42.9200   75.9320 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   29.9940  -43.5790   73.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3760  -44.2970   72.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3680  -45.2500   72.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9790  -45.4870   73.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2320  -46.6990   73.5740 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   33.3770  -44.0770   76.2920 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.1580  -43.6600   77.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.4170  -43.4000   75.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.7310  -44.6940   76.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5120  -45.7370   75.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5650  -44.5610   75.1770 C   0  0  2  0  0  0  0  0  0  0  0  0
   36.3030  -43.3450   75.1700 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.6910  -42.5950   75.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  2  0  0  0  0
  6  7  2  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8  2  2  0  0  0  0
 10 13  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  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
M  END
>  <MODEL>
7

>  <REMARK>
 VINA RESULT:      -4.1      3.016      3.870
  Name = 
  6 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_3
    2  A    between atoms: C_3  and  C_4
    3  A    between atoms: C_3  and  O_12
    4  A    between atoms: C_4  and  N_11
    5  A    between atoms: C_5  and  C_6
    6  A    between atoms: C_5  and  N_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 5

>  <SCORE>
-4.1

>  <RMSD_LB>
3.016

>  <RMSD_UB>
3.870

$$$$
=
 OpenBabel09021916103D

 17 17  0  0  1  0  0  0  0  0999 V2000
   31.1020  -44.8450   72.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1600  -44.7560   73.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2830  -43.9310   74.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0980  -43.0050   73.4920 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   30.3190  -43.8170   75.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2550  -44.5380   76.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1430  -45.3670   75.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0920  -45.4660   74.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2320  -46.5300   73.6540 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   30.1420  -45.8880   71.7040 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2370  -45.6460   72.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.4900  -46.7980   72.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.9400  -45.9370   70.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6540  -44.9350   70.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4930  -46.1700   69.8420 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.9460  -47.2850   70.5340 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.6250  -47.9690   70.6330 H   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
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  1  0  0  0  0
  5  6  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10  1  1  0  0  0  0
 13 10  1  0  0  0  0
 15 14  1  1  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <MODEL>
8

>  <REMARK>
 VINA RESULT:      -4.0      5.260      7.358
  Name = 
  6 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_3
    2  A    between atoms: C_3  and  C_4
    3  A    between atoms: C_3  and  O_12
    4  A    between atoms: C_4  and  N_11
    5  A    between atoms: C_5  and  C_6
    6  A    between atoms: C_5  and  N_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 5

>  <SCORE>
-4.0

>  <RMSD_LB>
5.260

>  <RMSD_UB>
7.358

$$$$
=
 OpenBabel09021916103D

 17 17  0  0  1  0  0  0  0  0999 V2000
   34.5130  -42.2860   79.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8220  -40.9820   79.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5300  -39.9010   80.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2420  -40.0700   80.3530 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   33.9200  -38.6890   80.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5660  -38.5460   80.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8260  -39.5890   79.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4550  -40.7940   79.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4800  -42.0860   78.6800 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   34.7760  -42.4750   77.7840 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.0570  -41.5630   77.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.9240  -42.8340   77.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.8910  -43.4140   77.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4060  -45.3030   75.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8430  -43.8980   76.0240 C   0  0  2  0  0  0  0  0  0  0  0  0
   36.5490  -43.0220   75.1550 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.9180  -42.5470   74.5930 H   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  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  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
M  END
>  <MODEL>
9

>  <REMARK>
 VINA RESULT:      -3.9      3.392      6.457
  Name = 
  6 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_3
    2  A    between atoms: C_3  and  C_4
    3  A    between atoms: C_3  and  O_12
    4  A    between atoms: C_4  and  N_11
    5  A    between atoms: C_5  and  C_6
    6  A    between atoms: C_5  and  N_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 5

>  <SCORE>
-3.9

>  <RMSD_LB>
3.392

>  <RMSD_UB>
6.457

$$$$
