=
 OpenBabel09251908563D

 18 19  0  0  1  0  0  0  0  0999 V2000
   34.9280  -44.6820   75.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7190  -44.2180   75.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5470  -44.4040   75.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5480  -45.0510   73.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7800  -45.5040   73.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9620  -45.3300   74.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2900  -45.2520   73.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1270  -44.5310   73.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9630  -44.7240   72.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9360  -45.6290   71.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0760  -46.3550   71.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2400  -46.1640   72.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0850  -44.4870   76.0970 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.4290  -44.6740   76.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2990  -44.2490   75.3930 C   0  0  2  0  0  0  0  0  0  0  0  0
   37.3310  -42.7720   75.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7150  -42.4760   73.8650 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.9860  -41.9560   75.8910 O   0  0  0  0  0  0  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  8  1  0  0  0  0
  7  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11 12  1  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 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:      -6.3      0.000      0.000
  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>
-6.3

>  <RMSD_LB>
0.000

>  <RMSD_UB>
0.000

$$$$
=
 OpenBabel09251908563D

 18 19  0  0  1  0  0  0  0  0999 V2000
   31.9300  -45.2520   74.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3420  -44.4800   75.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6900  -44.4000   75.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6560  -45.0850   74.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2090  -45.8540   73.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8670  -45.9430   73.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1070  -45.0040   75.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9740  -46.0760   74.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3250  -45.9860   75.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.8420  -44.8280   75.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0010  -43.7540   75.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6500  -43.8410   75.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5870  -45.3240   73.7170 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0480  -43.9840   72.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1640  -45.0070   72.3960 C   0  0  2  0  0  0  0  0  0  0  0  0
   29.7340  -46.3080   71.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6180  -46.7750   72.0260 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5400  -46.8260   70.9270 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  7  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  1  1  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 17  1  0  0  0  0
 16 15  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <MODEL>
2

>  <REMARK>
 VINA RESULT:      -5.8      3.273      7.169
  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>
-5.8

>  <RMSD_LB>
3.273

>  <RMSD_UB>
7.169

$$$$
=
 OpenBabel09251908563D

 18 19  0  0  1  0  0  0  0  0999 V2000
   34.0020  -41.9370   79.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0170  -42.8150   78.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8240  -43.6790   77.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6200  -43.6940   76.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6170  -42.7990   77.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7940  -41.9260   78.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4050  -44.6220   75.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1490  -45.1780   75.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9610  -46.0370   74.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0130  -46.3520   73.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2660  -45.8130   73.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4570  -44.9540   74.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2070  -41.0870   80.0790 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.0800  -39.6510   80.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6000  -39.7440   79.8160 C   0  0  2  0  0  0  0  0  0  0  0  0
   33.7150  -38.8300   80.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0490  -38.6300   81.8420 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7030  -38.3580   80.1040 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  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 13  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
 18 16  2  0  0  0  0
M  END
>  <MODEL>
3

>  <REMARK>
 VINA RESULT:      -5.7      4.148      5.451
  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>
-5.7

>  <RMSD_LB>
4.148

>  <RMSD_UB>
5.451

$$$$
=
 OpenBabel09251908563D

 18 19  0  0  1  0  0  0  0  0999 V2000
   35.2200  -45.3400   74.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9150  -44.7110   75.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6060  -44.3450   76.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5730  -44.5930   75.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9120  -45.2260   73.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2150  -45.6020   73.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1630  -44.2010   75.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2890  -43.8100   74.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9760  -43.4520   74.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5050  -43.4850   76.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3540  -43.8680   77.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6670  -44.2260   76.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5250  -45.6950   74.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.5860  -44.0250   73.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5350  -44.6950   74.3960 C   0  0  2  0  0  0  0  0  0  0  0  0
   38.8370  -45.3820   74.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.0110  -46.5580   74.4240 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.6330  -44.7200   75.4920 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  7  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  1  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  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
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <MODEL>
4

>  <REMARK>
 VINA RESULT:      -5.6      2.189      3.077
  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>
-5.6

>  <RMSD_LB>
2.189

>  <RMSD_UB>
3.077

$$$$
=
 OpenBabel09251908563D

 18 19  0  0  1  0  0  0  0  0999 V2000
   35.6950  -45.0300   75.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9170  -44.4730   76.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5710  -44.2220   76.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9690  -44.5150   75.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7790  -45.0740   74.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1260  -45.3340   74.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5230  -44.2470   74.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6630  -43.8650   75.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3180  -43.6120   75.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8050  -43.7240   74.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6380  -44.1000   73.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9830  -44.3550   73.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0310  -45.2710   75.8450 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.5880  -46.4080   74.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9610  -45.0570   74.7890 C   0  0  2  0  0  0  0  0  0  0  0  0
   38.9600  -44.0030   75.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.6440  -42.8050   75.1250 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.0360  -44.4170   75.7310 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  6  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  7  8  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 12  2  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  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 18  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <MODEL>
5

>  <REMARK>
 VINA RESULT:      -5.6      1.615      2.210
  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>
-5.6

>  <RMSD_LB>
1.615

>  <RMSD_UB>
2.210

$$$$
=
 OpenBabel09251908563D

 18 19  0  0  1  0  0  0  0  0999 V2000
   35.8490  -42.1210   77.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0250  -40.7420   77.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4560  -40.0580   78.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7000  -40.7240   79.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5400  -42.1100   79.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1040  -42.8110   78.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0830  -39.9930   80.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8640  -39.2970   81.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2770  -38.6150   82.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9040  -38.6050   82.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1110  -39.2890   81.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6960  -39.9710   80.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4180  -42.7860   76.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0360  -44.5060   76.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5460  -44.2020   76.2660 C   0  0  2  0  0  0  0  0  0  0  0  0
   35.7700  -44.7930   75.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2750  -45.7620   74.4930 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.6870  -44.2500   74.8020 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  7  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  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  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <MODEL>
6

>  <REMARK>
 VINA RESULT:      -5.2      5.053      7.668
  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>
-5.2

>  <RMSD_LB>
5.053

>  <RMSD_UB>
7.668

$$$$
=
 OpenBabel09251908563D

 18 19  0  0  1  0  0  0  0  0999 V2000
   31.1580  -44.4230   73.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3580  -44.1070   74.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6040  -44.3040   75.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6760  -44.8190   74.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4420  -45.1290   72.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2040  -44.9360   72.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0180  -45.0350   74.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8310  -46.1100   74.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0820  -46.2960   75.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5520  -45.4140   76.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7640  -44.3430   76.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5130  -44.1540   75.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9140  -44.2250   72.5470 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8130  -46.1110   71.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8790  -45.1590   72.8340 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.5940  -44.3680   73.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0710  -44.4300   74.1950 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.1450  -43.7250   72.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  7  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  1  1  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 15  1  0  0  0  0
 13  1  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
 18 16  2  0  0  0  0
M  END
>  <MODEL>
7

>  <REMARK>
 VINA RESULT:      -5.0      3.732      7.265
  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>
-5.0

>  <RMSD_LB>
3.732

>  <RMSD_UB>
7.265

$$$$
=
 OpenBabel09251908563D

 18 19  0  0  1  0  0  0  0  0999 V2000
   36.3160  -43.5770   76.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7660  -42.2630   76.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2580  -41.4430   77.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2930  -41.9070   78.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8590  -43.2340   77.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3580  -44.0680   76.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7410  -41.0300   79.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3750  -41.0130   79.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8740  -40.1950   80.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7220  -39.3880   81.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0790  -39.3890   80.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5820  -40.2040   79.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8280  -44.3780   75.0110 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.8510  -44.0720   72.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0660  -44.0170   74.4100 C   0  0  2  0  0  0  0  0  0  0  0  0
   39.1280  -44.9860   74.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.0420  -46.1790   74.5660 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.0040  -44.5190   75.6740 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  7  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13  1  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 15 13  1  0  0  0  0
 16 18  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <MODEL>
8

>  <REMARK>
 VINA RESULT:      -5.0      4.650      6.732
  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>
-5.0

>  <RMSD_LB>
4.650

>  <RMSD_UB>
6.732

$$$$
=
 OpenBabel09251908563D

 18 19  0  0  1  0  0  0  0  0999 V2000
   34.6100  -44.4120   75.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7490  -43.8540   76.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3970  -43.7370   76.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8700  -44.1680   75.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7610  -44.7240   74.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1160  -44.8510   74.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4160  -44.0440   74.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9370  -44.1560   73.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5790  -44.0440   73.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6730  -43.8270   74.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1250  -43.7120   75.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4820  -43.8230   75.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9510  -44.5190   76.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.8190  -45.6060   75.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8960  -44.4020   75.0310 C   0  0  2  0  0  0  0  0  0  0  0  0
   37.6070  -43.0610   75.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9690  -42.1260   75.7140 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.7780  -42.9890   74.7720 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  6  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  7 12  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  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>
9

>  <REMARK>
 VINA RESULT:      -4.9      1.456      2.281
  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>
-4.9

>  <RMSD_LB>
1.456

>  <RMSD_UB>
2.281

$$$$
