=
 OpenBabel09021916093D

 16 16  0  0  0  0  0  0  0  0999 V2000
   30.7270  -43.7450   76.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2320  -43.8770   76.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9030  -44.5770   75.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2880  -44.7130   75.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9550  -45.4820   74.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0120  -44.1090   76.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3700  -43.3850   77.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1200  -42.7180   78.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9820  -43.2890   77.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4390  -44.2310   76.2340 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.8300  -44.9440   76.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.2890  -43.4500   75.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0090  -42.3660   75.0480 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.6760  -43.9990   75.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7980  -44.7930   74.1950 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.6010  -46.1780   74.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  9  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  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
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 16  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <MODEL>
1

>  <REMARK>
 VINA RESULT:      -4.9      0.000      0.000
  Name = 
  7 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_5
    2  A    between atoms: C_2  and  C_12
    3  A    between atoms: C_2  and  O_15
    4  A    between atoms: C_3  and  O_15
    5  A    between atoms: C_4  and  C_7
    6  A    between atoms: C_8  and  N_13
    7  A    between atoms: C_9  and  C_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 3

>  <SCORE>
-4.9

>  <RMSD_LB>
0.000

>  <RMSD_UB>
0.000

$$$$
=
 OpenBabel09021916093D

 16 16  0  0  0  0  0  0  0  0999 V2000
   30.7330  -43.6060   76.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2340  -43.7750   76.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0410  -43.2270   77.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4260  -43.3690   77.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2450  -42.7520   78.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0040  -44.0990   76.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2200  -44.6770   75.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8090  -45.4740   74.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8400  -44.4960   75.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4270  -44.2630   76.1860 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.8070  -45.0000   76.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.2860  -43.4900   75.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0290  -42.3860   75.0350 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.6520  -44.0730   75.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7120  -44.8940   74.1230 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.5590  -46.2750   74.4420 C   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
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  2  0  0  0  0
  7  9  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 16  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <MODEL>
2

>  <REMARK>
 VINA RESULT:      -4.9      0.118      2.246
  Name = 
  7 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_5
    2  A    between atoms: C_2  and  C_12
    3  A    between atoms: C_2  and  O_15
    4  A    between atoms: C_3  and  O_15
    5  A    between atoms: C_4  and  C_7
    6  A    between atoms: C_8  and  N_13
    7  A    between atoms: C_9  and  C_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 3

>  <SCORE>
-4.9

>  <RMSD_LB>
0.118

>  <RMSD_UB>
2.246

$$$$
=
 OpenBabel09021916093D

 16 16  0  0  0  0  0  0  0  0999 V2000
   38.0110  -46.2540   74.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6410  -45.6700   75.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3810  -44.9390   76.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1300  -44.3850   76.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9150  -43.6000   77.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1140  -44.5800   75.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3400  -45.3070   74.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2700  -45.5280   73.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6120  -45.8370   74.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8230  -44.0090   75.7650 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.7200  -43.0420   75.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.7400  -44.6890   76.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7580  -45.8050   76.6870 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.4150  -44.0110   75.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3610  -43.2680   74.7800 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8410  -44.0280   73.6910 C   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6 10  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10 12  1  0  0  0  0
 11 10  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <MODEL>
3

>  <REMARK>
 VINA RESULT:      -4.9      2.960      5.795
  Name = 
  7 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_5
    2  A    between atoms: C_2  and  C_12
    3  A    between atoms: C_2  and  O_15
    4  A    between atoms: C_3  and  O_15
    5  A    between atoms: C_4  and  C_7
    6  A    between atoms: C_8  and  N_13
    7  A    between atoms: C_9  and  C_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 3

>  <SCORE>
-4.9

>  <RMSD_LB>
2.960

>  <RMSD_UB>
5.795

$$$$
=
 OpenBabel09021916093D

 16 16  0  0  0  0  0  0  0  0999 V2000
   37.9950  -46.2420   74.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6310  -45.6410   75.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6040  -45.8070   74.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3360  -45.2680   74.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2650  -45.4860   73.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1090  -44.5430   75.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1210  -44.3610   76.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9070  -43.5920   77.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3670  -44.9230   76.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8080  -43.9900   75.7470 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6920  -43.0240   75.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.7290  -44.6830   76.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7570  -45.7970   76.6620 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3970  -44.0250   75.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3400  -43.3070   74.7170 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.7270  -44.0560   73.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10 12  1  0  0  0  0
 11 10  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <MODEL>
4

>  <REMARK>
 VINA RESULT:      -4.8      2.958      5.379
  Name = 
  7 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_5
    2  A    between atoms: C_2  and  C_12
    3  A    between atoms: C_2  and  O_15
    4  A    between atoms: C_3  and  O_15
    5  A    between atoms: C_4  and  C_7
    6  A    between atoms: C_8  and  N_13
    7  A    between atoms: C_9  and  C_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 3

>  <SCORE>
-4.8

>  <RMSD_LB>
2.958

>  <RMSD_UB>
5.379

$$$$
=
 OpenBabel09021916093D

 16 16  0  0  0  0  0  0  0  0999 V2000
   38.0500  -44.6890   74.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6310  -44.7300   74.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6330  -45.3790   74.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3180  -45.4370   74.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2830  -46.1590   73.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0140  -44.8170   75.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9980  -44.1580   76.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7050  -43.4880   77.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2940  -44.1340   75.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6670  -44.8760   76.1740 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.4200  -45.6500   76.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.7140  -43.9580   75.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7570  -43.1100   75.0500 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5300  -43.9780   76.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1410  -42.6970   77.2850 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.9190  -42.2320   78.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  2  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
 12 10  1  0  0  0  0
 12 14  1  0  0  0  0
 13 12  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <MODEL>
5

>  <REMARK>
 VINA RESULT:      -4.5      2.763      5.379
  Name = 
  7 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_5
    2  A    between atoms: C_2  and  C_12
    3  A    between atoms: C_2  and  O_15
    4  A    between atoms: C_3  and  O_15
    5  A    between atoms: C_4  and  C_7
    6  A    between atoms: C_8  and  N_13
    7  A    between atoms: C_9  and  C_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 3

>  <SCORE>
-4.5

>  <RMSD_LB>
2.763

>  <RMSD_UB>
5.379

$$$$
=
 OpenBabel09021916093D

 16 16  0  0  0  0  0  0  0  0999 V2000
   33.2740  -46.1140   73.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2350  -45.2530   74.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0270  -44.8930   75.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9590  -44.1040   76.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6150  -43.7500   76.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1640  -43.6750   76.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4080  -44.0260   76.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7220  -43.5880   76.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4060  -44.8150   75.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1120  -42.8710   78.1150 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.0600  -43.3400   78.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.1290  -41.5260   78.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9030  -40.7970   77.1840 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.4950  -40.8990   79.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3180  -39.7680   79.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.5320  -39.8880   80.0580 C   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  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6 10  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 14  1  0  0  0  0
 13 12  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <MODEL>
6

>  <REMARK>
 VINA RESULT:      -4.4      3.106      4.850
  Name = 
  7 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_5
    2  A    between atoms: C_2  and  C_12
    3  A    between atoms: C_2  and  O_15
    4  A    between atoms: C_3  and  O_15
    5  A    between atoms: C_4  and  C_7
    6  A    between atoms: C_8  and  N_13
    7  A    between atoms: C_9  and  C_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 3

>  <SCORE>
-4.4

>  <RMSD_LB>
3.106

>  <RMSD_UB>
4.850

$$$$
=
 OpenBabel09021916093D

 16 16  0  0  0  0  0  0  0  0999 V2000
   37.4790  -45.2240   74.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1180  -45.0510   74.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9750  -44.3800   76.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7340  -44.2020   76.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6480  -43.4610   77.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6030  -44.7210   75.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7050  -45.3990   74.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5070  -45.9630   74.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9750  -45.5460   74.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3180  -44.5390   76.5770 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.9880  -45.2570   77.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.5250  -43.4650   76.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6380  -42.6370   75.5140 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.4470  -43.2750   77.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4060  -41.9700   77.9600 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3500  -41.7760   79.0110 C   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6 10  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 12 14  1  0  0  0  0
 13 12  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <MODEL>
7

>  <REMARK>
 VINA RESULT:      -4.4      2.847      5.816
  Name = 
  7 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_5
    2  A    between atoms: C_2  and  C_12
    3  A    between atoms: C_2  and  O_15
    4  A    between atoms: C_3  and  O_15
    5  A    between atoms: C_4  and  C_7
    6  A    between atoms: C_8  and  N_13
    7  A    between atoms: C_9  and  C_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 3

>  <SCORE>
-4.4

>  <RMSD_LB>
2.847

>  <RMSD_UB>
5.816

$$$$
=
 OpenBabel09021916093D

 16 16  0  0  0  0  0  0  0  0999 V2000
   29.2690  -46.5680   70.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9950  -45.8610   71.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2800  -46.2360   72.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9750  -45.6010   73.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3680  -46.0550   73.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3390  -44.5460   73.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0420  -44.1320   73.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3330  -42.9960   74.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4010  -44.8100   72.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0440  -43.8770   74.8450 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6940  -43.1840   74.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.8900  -44.1170   76.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3600  -45.1120   76.6390 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.3840  -43.0420   77.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0560  -41.7460   76.6550 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.0630  -40.8000   77.7210 C   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  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6 10  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9  7  2  0  0  0  0
 10 12  1  0  0  0  0
 11 10  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <MODEL>
8

>  <REMARK>
 VINA RESULT:      -4.3      3.964      5.892
  Name = 
  7 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_5
    2  A    between atoms: C_2  and  C_12
    3  A    between atoms: C_2  and  O_15
    4  A    between atoms: C_3  and  O_15
    5  A    between atoms: C_4  and  C_7
    6  A    between atoms: C_8  and  N_13
    7  A    between atoms: C_9  and  C_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 3

>  <SCORE>
-4.3

>  <RMSD_LB>
3.964

>  <RMSD_UB>
5.892

$$$$
=
 OpenBabel09021916093D

 16 16  0  0  0  0  0  0  0  0999 V2000
   36.2810  -45.5880   74.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7970  -45.3090   74.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0060  -45.8780   73.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6360  -45.6430   73.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8340  -46.2940   72.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0540  -44.8050   74.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8200  -44.2170   75.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2240  -43.3170   76.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1850  -44.4900   75.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6450  -44.5600   74.5200 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.0630  -45.1230   75.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.0510  -43.6230   73.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5710  -43.0480   72.8120 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.6490  -43.2470   74.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7000  -44.2290   73.8180 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.2950  -44.1460   72.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  9  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
 10  6  1  0  0  0  0
 10 11  1  0  0  0  0
 12 14  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <MODEL>
9

>  <REMARK>
 VINA RESULT:      -4.3      3.971      6.363
  Name = 
  7 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_1  and  C_5
    2  A    between atoms: C_2  and  C_12
    3  A    between atoms: C_2  and  O_15
    4  A    between atoms: C_3  and  O_15
    5  A    between atoms: C_4  and  C_7
    6  A    between atoms: C_8  and  N_13
    7  A    between atoms: C_9  and  C_11
                            x       y       z     vdW  Elec       q    Type
                         _______ _______ _______ _____ _____    ______ ____

>  <TORSDO>
F 3

>  <SCORE>
-4.3

>  <RMSD_LB>
3.971

>  <RMSD_UB>
6.363

$$$$
