=
 OpenBabel11082113133D

 16 16  0  0  0  0  0  0  0  0999 V2000
   30.6810  -43.7000   75.9980 C   0  0  0  0  0  1  0  0  0  0  0  0
   35.0390  -42.7570   78.3220 C   0  0  0  0  0  1  0  0  0  0  0  0
   32.1820  -43.8610   76.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9190  -43.2870   77.0890 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.3040  -43.4090   77.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9560  -44.1440   76.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2460  -44.7330   75.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8630  -44.5710   75.0850 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.9240  -45.5140   74.0210 C   0  0  0  0  0  1  0  0  0  0  0  0
   37.2610  -43.5180   75.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3800  -44.2920   76.2120 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.0130  -42.4230   75.0650 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.7440  -45.0200   76.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.6420  -44.0900   75.3840 C   0  0  0  0  0  2  0  0  0  0  0  0
   38.5370  -46.2430   74.4440 C   0  0  0  0  0  1  0  0  0  0  0  0
   38.7820  -44.8570   74.2150 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  2  1  0  0  0  0
  6 11  1  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
  8  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 10  2  0  0  0  0
 14 10  1  0  0  0  0
 16 15  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <MODEL>
1

>  <REMARK>
 VINA RESULT:    -4.845      0.000      0.000
 INTER + INTRA:          -6.001
 INTER:                  -5.795
 INTRA:                  -0.206
 UNBOUND:                -0.307
  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>
-4.845

>  <RMSD_LB>
0.000

>  <RMSD_UB>
0.000

$$$$
=
 OpenBabel11082113133D

 16 16  0  0  0  0  0  0  0  0999 V2000
   30.7120  -43.8480   76.1330 C   0  0  0  0  0  1  0  0  0  0  0  0
   34.9570  -45.5640   74.0540 C   0  0  0  0  0  1  0  0  0  0  0  0
   32.2200  -43.9560   76.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8990  -44.6580   75.1680 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.2860  -44.7840   75.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0010  -44.1690   76.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3490  -43.4560   77.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9600  -43.3700   77.1690 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.0930  -42.7990   78.3490 C   0  0  0  0  0  1  0  0  0  0  0  0
   37.2860  -43.5010   75.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4290  -44.2750   76.2400 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.0040  -42.4320   75.0220 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.8150  -44.9700   76.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.6820  -44.0380   75.3960 C   0  0  0  0  0  2  0  0  0  0  0  0
   38.5900  -46.2000   74.4740 C   0  0  0  0  0  1  0  0  0  0  0  0
   38.8490  -44.8180   74.2380 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 10  2  0  0  0  0
 14 10  1  0  0  0  0
 16 15  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <MODEL>
2

>  <REMARK>
 VINA RESULT:    -4.828      0.097      2.247
 INTER + INTRA:          -5.981
 INTER:                  -5.781
 INTRA:                  -0.201
 UNBOUND:                -0.307
  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>
-4.828

>  <RMSD_LB>
0.097

>  <RMSD_UB>
2.247

$$$$
=
 OpenBabel11082113133D

 16 16  0  0  0  0  0  0  0  0999 V2000
   38.0370  -46.2300   74.8090 C   0  0  0  0  0  1  0  0  0  0  0  0
   33.2950  -45.5370   73.2860 C   0  0  0  0  0  1  0  0  0  0  0  0
   36.6620  -45.6550   75.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6370  -45.8290   74.1380 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.3610  -45.3070   74.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1270  -44.5790   75.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1400  -44.3770   76.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3950  -44.9230   76.2050 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.9170  -43.5910   77.7240 C   0  0  0  0  0  1  0  0  0  0  0  0
   31.7520  -44.7030   76.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8330  -44.0160   75.7520 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7730  -45.8210   76.6640 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7250  -43.0490   75.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.4240  -44.0310   75.9480 C   0  0  0  0  0  2  0  0  0  0  0  0
   29.8220  -44.0180   73.6750 C   0  0  0  0  0  1  0  0  0  0  0  0
   30.3740  -43.2790   74.7620 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  3  2  0  0  0  0
  5  6  2  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  2  0  0  0  0
 10 12  2  0  0  0  0
 11 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <MODEL>
3

>  <REMARK>
 VINA RESULT:    -4.775      2.932      5.781
 INTER + INTRA:          -5.919
 INTER:                  -5.651
 INTRA:                  -0.268
 UNBOUND:                -0.307
  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>
-4.775

>  <RMSD_LB>
2.932

>  <RMSD_UB>
5.781

$$$$
=
 OpenBabel11082113133D

 16 16  0  0  0  0  0  0  0  0999 V2000
   38.0090  -46.2360   74.8200 C   0  0  0  0  0  1  0  0  0  0  0  0
   34.9070  -43.5950   77.7690 C   0  0  0  0  0  1  0  0  0  0  0  0
   36.6430  -45.6380   75.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3740  -44.9210   76.2240 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.1250  -44.3620   76.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1160  -44.5460   75.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3480  -45.2690   74.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6180  -45.8050   74.1470 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.2800  -45.4890   73.3100 C   0  0  0  0  0  1  0  0  0  0  0  0
   31.7370  -44.6920   76.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8130  -43.9960   75.7520 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7670  -45.8050   76.6710 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6950  -43.0310   75.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.4030  -44.0380   75.9270 C   0  0  0  0  0  2  0  0  0  0  0  0
   29.8110  -44.0700   73.6510 C   0  0  0  0  0  1  0  0  0  0  0  0
   30.3510  -43.3070   74.7280 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  2  1  0  0  0  0
  6 11  1  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
  8  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10 12  2  0  0  0  0
 11 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <MODEL>
4

>  <REMARK>
 VINA RESULT:    -4.759      2.937      5.352
 INTER + INTRA:          -5.900
 INTER:                  -5.644
 INTRA:                  -0.255
 UNBOUND:                -0.307
  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>
-4.759

>  <RMSD_LB>
2.937

>  <RMSD_UB>
5.352

$$$$
=
 OpenBabel11082113133D

 16 16  0  0  0  0  0  0  0  0999 V2000
   31.6230  -46.0390   72.0450 C   0  0  0  0  0  1  0  0  0  0  0  0
   35.6940  -44.9840   74.8020 C   0  0  0  0  0  1  0  0  0  0  0  0
   32.2260  -45.6150   73.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6000  -45.4850   73.5120 C   0  0  0  0  0  3  0  0  0  0  0  0
   34.1910  -45.1040   74.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3420  -44.8470   75.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9480  -44.9740   75.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4220  -45.3620   74.4650 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.0200  -44.7170   76.8500 C   0  0  0  0  0  1  0  0  0  0  0  0
   33.9900  -43.1950   77.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9010  -44.4580   77.0640 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.3660  -42.2390   77.0740 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.2480  -45.1730   77.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.9710  -42.9650   78.6340 C   0  0  0  0  0  2  0  0  0  0  0  0
   35.3290  -40.8300   79.5540 C   0  0  0  0  0  1  0  0  0  0  0  0
   34.5300  -42.0110   79.5670 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  1  0  0  0  0
  5  6  2  0  0  0  0
  6 11  1  0  0  0  0
  7  6  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  2  0  0  0  0
 10 14  1  0  0  0  0
 11 10  1  0  0  0  0
 11 13  1  0  0  0  0
 12 10  2  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <MODEL>
5

>  <REMARK>
 VINA RESULT:    -4.687      2.632      4.455
 INTER + INTRA:          -5.815
 INTER:                  -5.728
 INTRA:                  -0.088
 UNBOUND:                -0.307
  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>
-4.687

>  <RMSD_LB>
2.632

>  <RMSD_UB>
4.455

$$$$
=
 OpenBabel11082113133D

 16 16  0  0  0  0  0  0  0  0999 V2000
   31.7290  -46.0370   72.1170 C   0  0  0  0  0  1  0  0  0  0  0  0
   30.9150  -44.5810   76.8610 C   0  0  0  0  0  1  0  0  0  0  0  0
   32.2770  -45.5910   73.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4290  -45.3000   74.5120 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.8990  -44.8810   75.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2880  -44.7550   75.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1770  -45.0340   74.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6420  -45.4460   73.6480 C   0  0  0  0  0  3  0  0  0  0  0  0
   35.6680  -44.8950   75.0110 C   0  0  0  0  0  1  0  0  0  0  0  0
   33.8920  -43.0420   77.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8210  -44.3200   77.1720 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.2680  -42.1070   77.1010 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.1640  -45.0130   77.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.8510  -42.7670   78.7110 C   0  0  0  0  0  2  0  0  0  0  0  0
   35.1300  -40.6520   79.7000 C   0  0  0  0  0  1  0  0  0  0  0  0
   35.4700  -41.5090   78.6130 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  8  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
 10 14  1  0  0  0  0
 11 10  1  0  0  0  0
 11 13  1  0  0  0  0
 12 10  2  0  0  0  0
 16 14  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <MODEL>
6

>  <REMARK>
 VINA RESULT:    -4.581      2.572      4.212
 INTER + INTRA:          -5.691
 INTER:                  -5.578
 INTRA:                  -0.113
 UNBOUND:                -0.307
  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>
-4.581

>  <RMSD_LB>
2.572

>  <RMSD_UB>
4.212

$$$$
=
 OpenBabel11082113133D

 16 16  0  0  0  0  0  0  0  0999 V2000
   28.8780  -46.4690   70.7040 C   0  0  0  0  0  1  0  0  0  0  0  0
   29.4400  -42.8470   74.1470 C   0  0  0  0  0  1  0  0  0  0  0  0
   29.7110  -45.8210   71.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2560  -44.6960   72.4600 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.0000  -44.0690   73.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2540  -44.6150   73.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7500  -45.7480   73.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9580  -46.3250   72.1210 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.0960  -46.3430   73.4230 C   0  0  0  0  0  1  0  0  0  0  0  0
   31.9250  -44.1990   76.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0600  -44.0030   74.7870 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.3090  -45.1210   76.6290 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7700  -43.3890   74.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.5600  -43.1640   76.9980 C   0  0  0  0  0  2  0  0  0  0  0  0
   30.9420  -41.4790   77.2660 C   0  0  0  0  0  1  0  0  0  0  0  0
   32.1830  -41.8500   76.6700 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  8  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 10  1  0  0  0  0
 13 11  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <MODEL>
7

>  <REMARK>
 VINA RESULT:    -4.174      3.951      5.866
 INTER + INTRA:          -5.213
 INTER:                  -4.889
 INTRA:                  -0.324
 UNBOUND:                -0.307
  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>
-4.174

>  <RMSD_LB>
3.951

>  <RMSD_UB>
5.866

$$$$
=
 OpenBabel11082113133D

 16 16  0  0  0  0  0  0  0  0999 V2000
   35.0370  -45.4910   74.3840 C   0  0  0  0  0  1  0  0  0  0  0  0
   31.0070  -46.3070   71.4890 C   0  0  0  0  0  1  0  0  0  0  0  0
   33.5730  -45.2500   74.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9550  -45.8380   73.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
   31.6110  -45.6330   72.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8750  -44.7940   73.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4660  -44.1760   74.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8150  -44.4210   74.9070 C   0  0  0  0  0  3  0  0  0  0  0  0
   30.7000  -43.2640   75.5830 C   0  0  0  0  0  1  0  0  0  0  0  0
   29.0120  -43.5220   72.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4900  -44.5460   73.2800 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.6720  -42.8320   71.7850 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8350  -45.1760   73.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.5550  -43.2010   72.7420 C   0  0  0  0  0  2  0  0  0  0  0  0
   27.5770  -41.5680   74.4340 C   0  0  0  0  0  1  0  0  0  0  0  0
   27.2280  -42.9030   74.0760 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12 10  2  0  0  0  0
 14 16  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <MODEL>
8

>  <REMARK>
 VINA RESULT:    -4.038      4.572      7.435
 INTER + INTRA:          -5.052
 INTER:                  -4.719
 INTRA:                  -0.333
 UNBOUND:                -0.307
  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>
-4.038

>  <RMSD_LB>
4.572

>  <RMSD_UB>
7.435

$$$$
=
 OpenBabel11082113133D

 16 16  0  0  0  0  0  0  0  0999 V2000
   34.4950  -43.2680   77.7490 C   0  0  0  0  0  1  0  0  0  0  0  0
   33.8350  -46.0820   73.6330 C   0  0  0  0  0  1  0  0  0  0  0  0
   33.5820  -43.7940   76.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0580  -44.6530   75.6840 C   0  0  0  0  0  3  0  0  0  0  0  0
   33.2460  -45.1510   74.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9000  -44.7540   74.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3830  -43.8830   75.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2480  -43.4180   76.6160 C   0  0  0  0  0  3  0  0  0  0  0  0
   29.9470  -43.4340   75.6300 C   0  0  0  0  0  1  0  0  0  0  0  0
   30.7110  -44.5670   72.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0260  -45.2340   73.6280 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.3260  -43.6090   72.0540 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.6230  -46.1240   73.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.4780  -45.0390   71.7820 C   0  0  0  0  0  2  0  0  0  0  0  0
   27.4870  -44.0680   72.5720 C   0  0  0  0  0  1  0  0  0  0  0  0
   28.3670  -45.1880   72.6300 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  2  0  0  0  0
 14 10  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <MODEL>
9

>  <REMARK>
 VINA RESULT:    -3.825      3.905      6.318
 INTER + INTRA:          -4.803
 INTER:                  -4.496
 INTRA:                  -0.307
 UNBOUND:                -0.307
  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>
-3.825

>  <RMSD_LB>
3.905

>  <RMSD_UB>
6.318

$$$$
