./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   66.9030   73.3450   36.0040 O   0  0  0  0  0  0  0  0  0  0  0  0
   66.8190   73.2170   37.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.0490   72.3370   37.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
   66.2290   70.9500   37.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.2070   70.4140   38.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.5140   70.1440   38.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.2150   70.3400   37.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.3810   69.5970   39.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.7730   69.8280   40.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.3750   71.0120   41.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.7550   72.1570   41.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.3280   72.4970   41.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.4770   73.2270   42.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.5570   74.0540   38.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.9010   75.0480   38.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.6300   75.8170   39.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.9950   75.5990   39.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.6510   74.6060   39.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.9300   73.8240   38.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.0450   76.8040   40.5760 O   0  0  0  0  0  0  0  0  0  0  0  0
   67.5560   77.4980   40.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
   69.7010   76.3670   40.8780 O   0  0  0  0  0  0  0  0  0  0  0  0
   69.2520   76.7930   41.5990 H   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
  2 14  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 12 11  1  0  0  0  0
 14 19  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 22  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <MODEL>
1

>  <REMARK>
 VINA RESULT:       0.0      0.000      0.000
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
0.000

>  <RMSD_UB>
0.000

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   66.6610   72.1980   38.7380 O   0  0  0  0  0  0  0  0  0  0  0  0
   66.7310   71.5290   37.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.8850   70.1860   37.6330 O   0  0  0  0  0  0  0  0  0  0  0  0
   65.9100   69.3760   38.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   64.8700   69.0260   37.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
   63.6420   69.5710   37.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   63.1050   70.6500   38.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   62.6920   69.1050   36.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
   63.4080   68.3600   34.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
   63.6580   69.2300   33.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
   64.8520   69.6150   33.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.1830   69.2970   33.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   64.9420   70.4310   31.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.6870   72.0910   36.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.8460   72.1740   35.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.7620   72.7180   34.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.5410   73.1670   33.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.3840   73.0720   34.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.4530   72.5270   35.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.8600   72.8310   33.4800 O   0  0  0  0  0  0  0  0  0  0  0  0
   69.0010   73.5930   32.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
   66.4750   73.7070   32.5410 O   0  0  0  0  0  0  0  0  0  0  0  0
   65.8740   74.4230   32.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  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
  8  6  1  0  0  0  0
  9  8  1  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
 13 11  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <MODEL>
2

>  <REMARK>
 VINA RESULT:       0.0      3.859      6.800
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
3.859

>  <RMSD_UB>
6.800

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   68.0220   72.4500   43.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
   68.9720   73.1050   42.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.1940   72.6470   42.4510 O   0  0  0  0  0  0  0  0  0  0  0  0
   70.2390   71.6670   41.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.4660   72.4070   40.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.5480   72.6890   39.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.1010   72.2810   39.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.9350   73.4490   37.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.2570   74.2120   38.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.0570   75.6780   38.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.4030   76.3470   39.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.9980   75.7140   40.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.2040   77.8380   39.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.9690   74.5850   42.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.6550   75.3910   43.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.6160   76.7710   43.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.9110   77.3480   42.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.2450   76.5600   41.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.2760   75.1710   41.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.2600   77.6070   44.3300 O   0  0  0  0  0  0  0  0  0  0  0  0
   71.1660   77.8610   44.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
   68.8750   78.7060   42.2780 O   0  0  0  0  0  0  0  0  0  0  0  0
   69.3140   79.1230   41.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  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
  6  5  2  0  0  0  0
  8  9  1  0  0  0  0
  8  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 14  2  1  0  0  0  0
 14 15  2  0  0  0  0
 16 15  1  0  0  0  0
 16 20  1  0  0  0  0
 17 16  2  0  0  0  0
 18 19  2  0  0  0  0
 18 17  1  0  0  0  0
 19 14  1  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <MODEL>
3

>  <REMARK>
 VINA RESULT:       0.0      2.967      4.947
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
2.967

>  <RMSD_UB>
4.947

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   71.4790   65.4560   36.5290 O   0  0  0  0  0  0  0  0  0  0  0  0
   72.5640   65.6580   37.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.5360   66.4970   36.6100 O   0  0  0  0  0  0  0  0  0  0  0  0
   73.1780   67.8710   36.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.5500   68.5750   37.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.7150   68.9650   38.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.2250   68.7520   38.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.2450   69.6760   39.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
   74.7530   69.4800   40.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   75.0750   68.4170   41.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   75.7010   67.2410   40.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
   76.1340   66.7320   39.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   76.0190   66.3090   42.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.0470   64.9720   38.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   74.0250   63.9690   38.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
   74.4390   63.3440   39.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.8960   63.7150   40.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.9420   64.7190   40.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.5160   65.3570   39.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
   75.3850   62.3550   39.3610 O   0  0  0  0  0  0  0  0  0  0  0  0
   75.1760   61.4650   39.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
   74.3070   63.0870   41.7350 O   0  0  0  0  0  0  0  0  0  0  0  0
   74.2380   63.5350   42.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2 14  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  2  0  0  0  0
 11 13  1  0  0  0  0
 12 11  1  0  0  0  0
 14 19  1  0  0  0  0
 15 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 19 18  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <MODEL>
4

>  <REMARK>
 VINA RESULT:       0.0      7.373      9.992
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
7.373

>  <RMSD_UB>
9.992

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   64.8080   77.6860   27.1390 O   0  0  0  0  0  0  0  0  0  0  0  0
   64.7560   76.8540   28.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.2180   76.9730   29.2940 O   0  0  0  0  0  0  0  0  0  0  0  0
   64.7140   78.0650   30.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   63.5520   77.5380   30.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
   62.2410   77.7290   30.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
   61.7240   78.5380   29.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   61.1730   77.1290   31.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   61.7030   75.9850   32.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   61.3680   74.6240   31.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
   62.2290   73.6890   31.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   63.7180   73.8740   31.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   61.7430   72.3370   30.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   64.1800   75.4950   27.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.0060   74.3640   27.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
   64.4260   73.1130   27.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
   63.0420   72.9820   27.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
   62.2140   74.0910   27.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   62.7830   75.3550   27.8090 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.1810   71.9760   27.5150 O   0  0  0  0  0  0  0  0  0  0  0  0
   65.6620   71.6310   28.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
   62.4860   71.7470   27.3680 O   0  0  0  0  0  0  0  0  0  0  0  0
   62.4770   71.3480   26.5050 H   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 20 21  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <MODEL>
5

>  <REMARK>
 VINA RESULT:       0.0     10.065     12.509
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
10.065

>  <RMSD_UB>
12.509

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   73.4100   72.4390   27.3490 O   0  0  0  0  0  0  0  0  0  0  0  0
   73.4050   73.3180   28.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.3260   73.9100   28.7570 O   0  0  0  0  0  0  0  0  0  0  0  0
   71.3880   73.0540   29.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.7640   73.0300   30.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.4100   72.0420   31.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.8630   70.7610   30.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.7190   72.1630   33.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.6520   73.6090   33.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   74.0110   74.2510   33.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
   74.4850   75.3020   32.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.7460   75.9920   31.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   75.8470   75.8800   33.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   74.6310   73.9450   28.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
   75.0160   75.2410   28.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   76.1750   75.7850   28.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
   76.9420   75.0560   29.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
   76.5610   73.7810   30.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   75.3970   73.2220   29.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
   76.6040   77.0410   28.5750 O   0  0  0  0  0  0  0  0  0  0  0  0
   77.2290   77.1870   27.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
   78.0840   75.6000   30.3280 O   0  0  0  0  0  0  0  0  0  0  0  0
   78.6600   75.0680   30.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2 14  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 13  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 14 19  1  0  0  0  0
 15 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 19 18  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <MODEL>
6

>  <REMARK>
 VINA RESULT:       0.0      9.552     11.270
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
9.552

>  <RMSD_UB>
11.270

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   69.0400   73.8920   32.7700 O   0  0  0  0  0  0  0  0  0  0  0  0
   70.1140   73.3740   33.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.2700   73.9950   33.3500 O   0  0  0  0  0  0  0  0  0  0  0  0
   71.2380   74.8510   34.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.6910   74.0270   35.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.9150   73.4900   36.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.4180   73.6460   36.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.5250   72.6770   37.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.9380   72.1750   37.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.9590   70.7360   36.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.3150   70.2610   35.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.6940   71.1170   34.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.3560   68.7800   35.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.3650   71.9110   32.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.0960   71.3410   31.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.2980   69.9670   31.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.7880   69.1670   32.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.0800   69.7220   33.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.8700   71.1020   33.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.9960   69.3540   30.8860 O   0  0  0  0  0  0  0  0  0  0  0  0
   72.2630   68.4450   30.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
   70.9870   67.8170   32.8750 O   0  0  0  0  0  0  0  0  0  0  0  0
   70.5220   67.2550   33.4850 H   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14  2  1  0  0  0  0
 14 19  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 16  1  0  0  0  0
 22 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <MODEL>
7

>  <REMARK>
 VINA RESULT:       0.0      4.758      7.761
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
4.758

>  <RMSD_UB>
7.761

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   77.3570   72.1000   37.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
   77.0580   72.5390   35.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
   76.1310   72.0500   35.0660 O   0  0  0  0  0  0  0  0  0  0  0  0
   74.7950   71.9220   35.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
   74.0650   73.1730   35.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.7570   74.2180   35.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
   74.1070   74.2890   37.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.0050   75.4210   35.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.0620   75.5130   33.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
   74.0940   76.4970   33.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   75.2070   76.2300   32.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
   75.6690   74.8510   32.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
   76.1090   77.3370   32.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   77.7010   73.7220   35.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   78.6100   73.5740   34.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   79.1980   74.7050   33.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
   78.8830   75.9700   34.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   77.9720   76.1310   35.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   77.3720   75.0020   35.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   80.0950   74.6220   32.6560 O   0  0  0  0  0  0  0  0  0  0  0  0
   80.0680   75.2210   31.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
   79.4740   77.0730   33.6270 O   0  0  0  0  0  0  0  0  0  0  0  0
   80.3870   77.2630   33.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  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
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 19  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  2  0  0  0  0
 16 17  2  0  0  0  0
 16 15  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 23  1  0  0  0  0
 22 17  1  0  0  0  0
M  END
>  <MODEL>
8

>  <REMARK>
 VINA RESULT:       0.0      8.908     10.819
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
8.908

>  <RMSD_UB>
10.819

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   67.5200   66.7570   36.5440 O   0  0  0  0  0  0  0  0  0  0  0  0
   68.4350   67.4800   36.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.0680   67.4870   38.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
   69.6620   66.2580   38.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.1010   66.3010   38.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.6570   65.6600   37.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.8900   64.7650   36.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.1410   65.8000   36.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.7730   67.0250   37.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.9260   68.1940   36.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.3120   69.3930   36.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.2760   69.7600   37.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.6270   70.4960   35.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.0260   68.5460   36.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.7600   69.9010   36.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.3220   70.8640   35.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.1470   70.4910   34.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.4330   69.1550   34.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.8750   68.1750   34.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.0930   72.2000   35.6550 O   0  0  0  0  0  0  0  0  0  0  0  0
   69.8050   72.8170   35.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
   70.6870   71.4480   33.5980 O   0  0  0  0  0  0  0  0  0  0  0  0
   71.5330   71.8260   33.8130 H   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
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  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
 13 11  1  0  0  0  0
 14 15  1  0  0  0  0
 14  2  1  0  0  0  0
 16 20  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 14  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 17  1  0  0  0  0
M  END
>  <MODEL>
9

>  <REMARK>
 VINA RESULT:       0.0      4.989      6.808
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
4.989

>  <RMSD_UB>
6.808

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   69.6610   62.5490   34.5820 O   0  0  0  0  0  0  0  0  0  0  0  0
   68.6460   63.1800   34.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.4270   62.6880   35.1380 O   0  0  0  0  0  0  0  0  0  0  0  0
   67.3570   61.8470   36.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.9830   62.7260   37.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.8030   63.1870   38.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.2740   62.8720   38.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.2720   64.0720   39.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.9230   64.7170   39.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.0580   66.1450   38.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.7650   66.6420   37.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.3100   65.8190   36.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.8840   68.1170   37.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.5510   64.6610   34.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.8950   65.2960   33.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.8400   66.6820   33.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.4220   67.4340   34.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.0570   66.8180   35.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.1190   65.4240   35.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.2200   67.3550   32.6260 O   0  0  0  0  0  0  0  0  0  0  0  0
   67.6940   67.9510   32.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
   68.3670   68.7980   34.6110 O   0  0  0  0  0  0  0  0  0  0  0  0
   68.5120   69.3050   35.4020 H   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14  2  1  0  0  0  0
 14 19  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <MODEL>
10

>  <REMARK>
 VINA RESULT:       0.0      6.560      9.146
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
6.560

>  <RMSD_UB>
9.146

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   64.5690   74.0680   34.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
   65.5200   73.5610   33.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.7860   74.0370   33.7240 O   0  0  0  0  0  0  0  0  0  0  0  0
   67.4520   74.2880   34.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.2500   73.0580   35.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.9400   72.1010   36.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.7020   72.1250   37.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.8570   70.9080   36.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.8360   70.6900   35.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.3870   69.6070   34.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.0380   69.7460   32.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.9590   71.0590   32.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.6810   68.5490   32.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.4530   72.2950   33.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.4850   72.2990   31.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.4070   71.0940   30.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.3070   69.8930   31.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.2940   69.8740   33.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.3720   71.0790   33.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.4270   71.0370   29.5660 O   0  0  0  0  0  0  0  0  0  0  0  0
   64.8760   70.4340   29.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
   65.2240   68.7150   30.9460 O   0  0  0  0  0  0  0  0  0  0  0  0
   65.5960   67.9240   31.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 19  2  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 23  1  0  0  0  0
 22 17  1  0  0  0  0
M  END
>  <MODEL>
11

>  <REMARK>
 VINA RESULT:       0.0      4.373      7.846
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
4.373

>  <RMSD_UB>
7.846

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   68.3790   62.2270   38.0390 O   0  0  0  0  0  0  0  0  0  0  0  0
   68.0470   63.3330   37.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.2110   63.6320   36.6310 O   0  0  0  0  0  0  0  0  0  0  0  0
   65.8940   63.0800   36.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.0130   64.1190   37.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   64.5540   64.1330   38.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
   64.8600   63.0640   39.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
   63.6610   65.2610   39.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   63.7370   66.5120   38.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   64.6410   67.5760   38.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.7940   68.0390   38.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.4420   67.5050   36.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.5520   69.1660   38.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.5420   64.6040   38.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.4840   65.3960   37.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.9290   66.5700   38.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.4410   66.9610   39.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.4940   66.1970   40.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.0360   65.0140   39.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.8510   67.3780   37.5550 O   0  0  0  0  0  0  0  0  0  0  0  0
   70.9890   68.2770   37.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
   69.8920   68.1150   39.9780 O   0  0  0  0  0  0  0  0  0  0  0  0
   69.3270   68.8790   40.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
  9  8  1  0  0  0  0
 11 10  2  0  0  0  0
 11 13  1  0  0  0  0
 12 11  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 19 18  1  0  0  0  0
 20 21  1  0  0  0  0
 20 16  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <MODEL>
12

>  <REMARK>
 VINA RESULT:       0.0      5.905      8.469
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
5.905

>  <RMSD_UB>
8.469

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   76.9140   72.9170   30.3640 O   0  0  0  0  0  0  0  0  0  0  0  0
   76.1800   72.0080   30.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   74.8370   72.0530   29.8570 O   0  0  0  0  0  0  0  0  0  0  0  0
   74.3280   73.0260   28.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
   74.1670   72.3360   27.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   74.9780   72.4390   26.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
   76.2130   73.3010   26.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
   74.6790   71.6760   25.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.7100   70.5060   25.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   74.4120   69.1770   25.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
   74.4680   68.3600   26.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.8860   68.6780   28.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   75.1510   67.0180   26.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   76.6430   70.6260   29.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
   76.3950   69.5790   30.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   76.8560   68.3040   30.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
   77.5470   68.0650   29.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
   77.7820   69.0870   28.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   77.3240   70.3750   28.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   76.6490   67.2470   31.1820 O   0  0  0  0  0  0  0  0  0  0  0  0
   75.8000   67.0760   31.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
   78.0010   66.8080   28.8760 O   0  0  0  0  0  0  0  0  0  0  0  0
   78.2200   66.2160   29.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  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  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  8  6  1  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
 13 11  1  0  0  0  0
 14  2  1  0  0  0  0
 14 15  2  0  0  0  0
 16 15  1  0  0  0  0
 16 20  1  0  0  0  0
 17 16  2  0  0  0  0
 18 19  2  0  0  0  0
 18 17  1  0  0  0  0
 19 14  1  0  0  0  0
 20 21  1  0  0  0  0
 22 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <MODEL>
13

>  <REMARK>
 VINA RESULT:       0.0     12.324     14.703
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
12.324

>  <RMSD_UB>
14.703

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   70.2130   66.7680   44.2240 O   0  0  0  0  0  0  0  0  0  0  0  0
   70.3180   67.3390   43.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.5710   68.3710   42.6950 O   0  0  0  0  0  0  0  0  0  0  0  0
   69.5250   69.5490   43.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.5850   70.4750   42.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.7950   70.7160   43.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.2830   70.0710   44.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.7650   71.6910   42.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.4330   71.9720   41.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.2880   71.1770   40.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.8830   70.2210   39.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.4740   69.7080   39.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.8540   69.5650   38.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.3080   66.9740   42.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.9150   66.3020   40.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.8740   65.9680   39.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.2100   66.3040   40.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.6090   66.9860   41.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.6550   67.3290   42.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.5500   65.3080   38.8420 O   0  0  0  0  0  0  0  0  0  0  0  0
   71.8000   64.4030   38.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
   74.1440   65.9640   39.2630 O   0  0  0  0  0  0  0  0  0  0  0  0
   73.9190   65.3530   38.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  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
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 19  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  2  0  0  0  0
 16 17  2  0  0  0  0
 16 15  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <MODEL>
14

>  <REMARK>
 VINA RESULT:       0.0      5.481      8.276
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
5.481

>  <RMSD_UB>
8.276

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   71.9210   71.3320   38.9520 O   0  0  0  0  0  0  0  0  0  0  0  0
   71.1820   70.5140   38.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.1000   70.7580   37.6580 O   0  0  0  0  0  0  0  0  0  0  0  0
   70.3070   71.5520   36.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.5350   70.5990   35.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.7170   70.2880   34.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.0360   70.8780   35.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.7870   69.3000   33.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.5400   68.4130   33.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.7440   67.0460   34.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.1200   66.5210   35.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.1360   67.2600   36.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.3790   65.1010   35.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.3270   69.0440   38.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.4500   68.3130   39.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.6280   66.9430   39.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.6590   66.2990   38.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.5210   67.0090   38.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.3540   68.3880   37.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.8090   66.1790   40.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
   70.1480   65.4820   40.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
   71.8280   64.9520   38.9960 O   0  0  0  0  0  0  0  0  0  0  0  0
   72.4600   64.4960   38.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  1  0  0  0  0
  2  1  2  0  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
  6  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 17 22  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 21  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <MODEL>
15

>  <REMARK>
 VINA RESULT:       0.0      4.529      7.709
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
4.529

>  <RMSD_UB>
7.709

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   66.8220   70.5230   39.8040 O   0  0  0  0  0  0  0  0  0  0  0  0
   67.2870   71.4470   39.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.9930   72.5020   39.6330 O   0  0  0  0  0  0  0  0  0  0  0  0
   69.1780   72.2100   40.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.3230   72.2570   39.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.9710   71.2060   38.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.6350   69.7680   39.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.1240   71.4160   37.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.1420   72.8240   37.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.5510   72.8710   35.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.4350   73.5200   35.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.5130   74.2720   36.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.0110   73.5340   34.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.1350   71.6010   37.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.2620   72.5570   37.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.1400   72.6590   35.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.8820   71.8300   34.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.7630   70.8940   35.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.8970   70.7800   36.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.3000   73.5680   35.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
   64.3960   73.6640   35.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   66.7470   71.9370   33.5820 O   0  0  0  0  0  0  0  0  0  0  0  0
   66.4650   71.1840   33.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  6  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  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
 13 11  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 18  2  0  0  0  0
 17 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  2  0  0  0  0
 20 21  1  0  0  0  0
 20 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <MODEL>
16

>  <REMARK>
 VINA RESULT:       0.0      2.548      5.281
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
2.548

>  <RMSD_UB>
5.281

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   76.2250   71.7590   42.7290 O   0  0  0  0  0  0  0  0  0  0  0  0
   75.4720   71.7960   43.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
   74.3530   72.5470   43.8220 O   0  0  0  0  0  0  0  0  0  0  0  0
   73.3400   72.3890   42.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.3650   71.3770   43.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.2640   70.0810   42.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
   73.1430   69.4300   41.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.2150   69.1740   43.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.6620   69.7250   44.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.2930   69.0870   46.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.0640   69.6840   47.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.5080   71.1190   47.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.5640   68.9220   48.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   75.6680   71.0150   44.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
   76.1050   71.6340   46.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   76.2880   70.8650   47.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   76.0330   69.4960   47.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   75.5830   68.8750   46.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
   75.3930   69.6370   44.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
   76.7170   71.4120   48.4320 O   0  0  0  0  0  0  0  0  0  0  0  0
   76.2800   71.2330   49.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   76.2250   68.7500   48.3560 O   0  0  0  0  0  0  0  0  0  0  0  0
   76.1110   69.1480   49.2120 H   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
  2 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  3  1  0  0  0  0
  6  5  2  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 12 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 20  1  0  0  0  0
 17 16  1  0  0  0  0
 17 22  1  0  0  0  0
 18 17  2  0  0  0  0
 19 14  2  0  0  0  0
 19 18  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <MODEL>
17

>  <REMARK>
 VINA RESULT:       0.0      7.043      9.534
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
7.043

>  <RMSD_UB>
9.534

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   68.4670   67.0210   33.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
   68.5760   68.1670   33.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.5810   69.0040   32.7170 O   0  0  0  0  0  0  0  0  0  0  0  0
   66.5500   69.2610   33.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.9300   70.5220   34.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.4550   70.6220   35.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.7440   69.4400   36.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.7860   71.9800   36.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.9000   73.0860   35.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.3280   73.3970   34.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.9220   73.2150   33.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.2660   72.5800   32.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.3470   73.6480   33.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.8730   68.8700   32.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.4110   69.0960   31.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.6320   69.7460   31.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.3100   70.1770   32.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.7790   69.9780   33.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.5510   69.3250   34.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.2080   69.9870   30.3160 O   0  0  0  0  0  0  0  0  0  0  0  0
   72.7700   70.7390   30.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
   73.5140   70.8090   32.5430 O   0  0  0  0  0  0  0  0  0  0  0  0
   73.7790   71.1540   31.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14  2  1  0  0  0  0
 14 19  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <MODEL>
18

>  <REMARK>
 VINA RESULT:       0.0      5.414      7.921
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
5.414

>  <RMSD_UB>
7.921

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   72.4550   68.4360   43.4680 O   0  0  0  0  0  0  0  0  0  0  0  0
   72.1360   67.7640   42.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.9140   66.9010   41.8100 O   0  0  0  0  0  0  0  0  0  0  0  0
   73.5290   65.8430   42.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.6240   64.6510   42.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.7760   64.1820   43.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.6070   64.8030   44.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.9200   62.9520   43.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.7870   62.6290   41.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.4870   63.1120   41.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.3180   64.0570   40.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.4270   64.8750   39.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.9500   64.3800   39.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.7900   67.7920   41.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.5780   68.4320   40.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.3020   68.4460   40.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.2460   67.8250   40.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.4470   67.1720   41.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.7260   67.1490   42.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.0340   69.0590   38.9080 O   0  0  0  0  0  0  0  0  0  0  0  0
   69.6860   69.1230   38.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   66.9940   67.8520   40.2190 O   0  0  0  0  0  0  0  0  0  0  0  0
   66.5970   68.6840   39.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  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
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14  2  1  0  0  0  0
 14 19  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <MODEL>
19

>  <REMARK>
 VINA RESULT:       0.0      5.737      8.627
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
5.737

>  <RMSD_UB>
8.627

$$$$
./output1.dat
 OpenBabel06171915303D

 23 23  0  0  0  0  0  0  0  0999 V2000
   66.6420   67.4990   40.1730 O   0  0  0  0  0  0  0  0  0  0  0  0
   66.8380   68.6440   40.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.8530   69.1000   41.3080 O   0  0  0  0  0  0  0  0  0  0  0  0
   69.1820   68.8470   40.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.6150   70.0630   40.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.6800   70.1970   38.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.3200   69.1030   37.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.1450   71.5000   38.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.0730   72.6890   39.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.8480   73.5420   38.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.8250   73.7350   39.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
   67.6850   73.0530   41.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.7000   74.6830   39.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.9480   69.7870   40.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.0990   70.3450   41.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   64.2740   71.4040   40.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   64.2960   71.9130   39.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.1460   71.3820   38.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.9820   70.3160   38.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
   63.4210   71.9850   41.7190 O   0  0  0  0  0  0  0  0  0  0  0  0
   62.7920   72.6460   41.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
   63.4750   72.9500   39.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
   62.7330   72.7990   38.6140 H   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  0  0  0  0
 14  2  1  0  0  0  0
 14 15  2  0  0  0  0
 16 15  1  0  0  0  0
 16 20  1  0  0  0  0
 17 16  2  0  0  0  0
 18 19  2  0  0  0  0
 18 17  1  0  0  0  0
 19 14  1  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <MODEL>
20

>  <REMARK>
 VINA RESULT:       0.0      2.715      4.755
  9 active torsions:
  status: ('A' for Active; 'I' for Inactive)
    1  A    between atoms: C_2  and  O_3 
    2  A    between atoms: C_2  and  C_14 
    3  A    between atoms: O_3  and  C_4 
    4  A    between atoms: C_4  and  C_5 
    5  A    between atoms: C_6  and  C_8 
    6  A    between atoms: C_8  and  C_9 
    7  A    between atoms: C_9  and  C_10 
    8  A    between atoms: C_16  and  O_17 
    9  A    between atoms: C_19  and  O_20 

>  <TORSDO>
F 9

>  <SCORE>
0.0

>  <RMSD_LB>
2.715

>  <RMSD_UB>
4.755

$$$$
