BAK
  CCTOOLS-0919241032

 42 45  0  0  0  0  0  0  0  0999 V2000
    5.4730    0.5980   -0.0190 C   0  0  0  0  0
    4.7270    1.7840   -0.0560 C   0  0  0  0  0
    3.3660    1.7480   -0.0550 C   0  0  0  0  0
    2.6960    0.5150   -0.0160 C   0  0  0  0  0
    3.4420   -0.6820    0.0210 C   0  0  0  0  0
    4.8280   -0.6350    0.0140 C   0  0  0  0  0
    6.9500    0.6560   -0.0210 C   0  0  0  0  0
    1.2800   -1.1300    0.0360 C   0  0  0  0  0
    0.0000   -1.8690    0.0590 C   0  0  0  0  0
    7.6610   -0.4700    0.0140 N   0  3  0  0  0
    7.5700    1.8340   -0.0580 N   0  0  0  0  0
    1.3970    0.1750   -0.0050 N   0  0  0  0  0
    2.5220   -1.7060    0.0540 N   0  0  0  0  0
   -5.4730    0.5970   -0.0180 C   0  0  0  0  0
   -4.7270    1.7830   -0.0560 C   0  0  0  0  0
   -3.3670    1.7470   -0.0560 C   0  0  0  0  0
   -2.6960    0.5150   -0.0170 C   0  0  0  0  0
   -3.4420   -0.6830    0.0210 C   0  0  0  0  0
   -4.8270   -0.6350    0.0200 C   0  0  0  0  0
   -6.9510    0.6550   -0.0200 C   0  0  0  0  0
   -1.2800   -1.1310    0.0360 C   0  0  0  0  0
   -7.5760    1.6970    0.5250 N   0  3  0  0  0
   -7.6550   -0.3340   -0.5650 N   0  0  0  0  0
   -1.3970    0.1750    0.0000 N   0  0  0  0  0
   -2.5220   -1.7060    0.0540 N   0  0  0  0  0
    0.0000   -3.0840    0.0980 O   0  0  0  0  0
    5.2370    2.7360   -0.0860 H   0  0  0  0  0
    2.8020    2.6680   -0.0830 H   0  0  0  0  0
    5.4030   -1.5480    0.0370 H   0  0  0  0  0
    7.2100   -1.3280    0.0410 H   0  0  0  0  0
    8.6310   -0.4310    0.0130 H   0  0  0  0  0
    8.5400    1.8730   -0.0600 H   0  0  0  0  0
    7.0530    2.6540   -0.0880 H   0  0  0  0  0
    2.7170   -2.6560    0.0830 H   0  0  0  0  0
   -5.2370    2.7350   -0.0870 H   0  0  0  0  0
   -2.8020    2.6680   -0.0870 H   0  0  0  0  0
   -5.4020   -1.5490    0.0490 H   0  0  0  0  0
   -7.0630    2.4180    0.9220 H   0  0  0  0  0
   -8.5460    1.7350    0.5240 H   0  0  0  0  0
   -8.6250   -0.2960   -0.5660 H   0  0  0  0  0
   -7.2000   -1.0930   -0.9620 H   0  0  0  0  0
   -2.7160   -2.6560    0.0840 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1  7  1  0  0  0
  2  3  2  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4 12  1  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  6 29  1  0  0  0
  7 10  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 12  2  0  0  0
  8 13  1  0  0  0
  9 21  1  0  0  0
  9 26  2  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 19  2  0  0  0
 14 20  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 24  1  0  0  0
 18 19  1  0  0  0
 18 25  1  0  0  0
 19 37  1  0  0  0
 20 22  2  0  0  0
 20 23  1  0  0  0
 21 24  2  0  0  0
 21 25  1  0  0  0
 22 38  1  0  0  0
 22 39  1  0  0  0
 23 40  1  0  0  0
 23 41  1  0  0  0
 25 42  1  0  0  0
M  CHG  1  10   1
M  CHG  1  22   1
M  END
$$$$