YBF
  CCTOOLS-1220241028

 54 58  0  0  0  0  0  0  0  0999 V2000
    4.8170   -0.4450   -1.4980 C   0  0  0  0  0
    5.3780   -1.5920   -0.6980 C   0  0  0  0  0
    5.4530   -3.9340   -0.2020 C   0  0  0  0  0
    6.8410   -2.4080    1.0130 C   0  0  0  0  0
    6.3270   -1.3550    0.2790 C   0  0  0  0  0
   -1.9520   -0.9690    0.1380 C   0  0  0  0  0
   -0.5900   -0.8760    0.1190 C   0  0  0  0  0
    0.0240    0.3200   -0.2620 C   0  0  0  0  0
   -0.7550    1.4220   -0.6230 C   0  0  0  0  0
   -2.1180    1.3310   -0.6040 C   0  0  0  0  0
   -2.7330    0.1340   -0.2230 C   0  0  0  0  0
   -4.2050    0.0340   -0.2020 C   0  0  0  0  0
    3.1430    2.8410    2.1750 C   0  0  0  0  0
    4.4300    2.5500    1.7500 C   0  0  0  0  0
    4.6570    1.6760    0.7920 N   0  0  0  0  0
    2.0710    2.2010    1.5790 C   0  0  0  0  0
    2.3370    1.2800    0.5670 C   0  0  0  0  0
    3.6680    1.0320    0.1870 C   0  0  0  0  0
    3.6360    0.0930   -0.8180 N   0  0  0  0  0
    2.3490   -0.2650   -1.0920 C   0  0  0  0  0
    1.5000    0.4200   -0.2840 C   0  0  0  0  0
    4.9380   -2.8810   -0.9360 C   0  0  0  0  0
    6.4070   -3.6970    0.7700 C   0  0  0  0  0
   -4.7970   -1.1190    0.1640 N   0  0  0  0  0
   -4.8830    0.9930   -0.5160 O   0  0  0  0  0
   -0.1040    2.6880   -1.0260 N   0  3  0  0  0
   -0.7830    3.6490   -1.3400 O   0  0  0  0  0
    1.1110    2.7700   -1.0430 O   0  5  0  0  0
   -6.1880   -1.1820    0.2900 C   0  0  0  0  0
   -6.8630   -2.3570   -0.0160 C   0  0  0  0  0
   -8.9410   -1.3060    0.5400 C   0  0  0  0  0
   -8.2720   -0.1360    0.8520 C   0  0  0  0  0
   -8.2370   -2.4150    0.1100 C   0  0  0  0  0
   -6.8980   -0.0710    0.7280 C   0  0  0  0  0
    5.5710    0.3360   -1.5900 H   0  0  0  0  0
    4.5360   -0.7980   -2.4900 H   0  0  0  0  0
    5.1140   -4.9410   -0.3920 H   0  0  0  0  0
    7.5830   -2.2220    1.7760 H   0  0  0  0  0
    6.6670   -0.3480    0.4680 H   0  0  0  0  0
   -2.4260   -1.8940    0.4290 H   0  0  0  0  0
    0.0140   -1.7270    0.3980 H   0  0  0  0  0
   -2.7200    2.1820   -0.8820 H   0  0  0  0  0
    2.9800    3.5590    2.9650 H   0  0  0  0  0
    5.2650    3.0510    2.2160 H   0  0  0  0  0
    1.0580    2.4080    1.8910 H   0  0  0  0  0
    2.0500   -0.9850   -1.8400 H   0  0  0  0  0
    4.1930   -3.0660   -1.6960 H   0  0  0  0  0
    6.8120   -4.5200    1.3400 H   0  0  0  0  0
   -4.2580   -1.9070    0.3400 H   0  0  0  0  0
   -6.3130   -3.2230   -0.3530 H   0  0  0  0  0
  -10.0160   -1.3540    0.6390 H   0  0  0  0  0
   -8.8250    0.7290    1.1880 H   0  0  0  0  0
   -8.7620   -3.3280   -0.1280 H   0  0  0  0  0
   -6.3760    0.8430    0.9710 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2 22  2  0  0  0
  2  5  1  0  0  0
  3 23  2  0  0  0
  3 37  1  0  0  0
  4  5  2  0  0  0
  4 38  1  0  0  0
  5 39  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
 10 11  2  0  0  0
 10 42  1  0  0  0
 11 12  1  0  0  0
 12 24  1  0  0  0
 12 25  2  0  0  0
 13 14  2  0  0  0
 13 16  1  0  0  0
 13 43  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 15 18  2  0  0  0
 16 17  2  0  0  0
 16 45  1  0  0  0
 17 18  1  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19  1  1  0  0  0
 20 21  2  0  0  0
 20 46  1  0  0  0
 21  8  1  0  0  0
 22  3  1  0  0  0
 22 47  1  0  0  0
 23  4  1  0  0  0
 23 48  1  0  0  0
 24 29  1  0  0  0
 24 49  1  0  0  0
 26 27  2  0  0  0
 26 28  1  0  0  0
 29 30  2  0  0  0
 29 34  1  0  0  0
 30 33  1  0  0  0
 30 50  1  0  0  0
 31 32  1  0  0  0
 31 33  2  0  0  0
 31 51  1  0  0  0
 32 34  2  0  0  0
 32 52  1  0  0  0
 33 53  1  0  0  0
 34 54  1  0  0  0
M  CHG  1  26   1
M  CHG  1  28  -1
M  END
$$$$
