OT1
  CCTOOLS-0828261229

 49 55  0  0  0  0  0  0  0  0999 V2000
   -0.2290    0.1290   -0.3430 C   0  6  0  0  0
   -2.6110    1.0190    0.7920 C   0  0  0  0  0
    1.9590   -1.4120    0.1630 C   0  0  0  0  0
    0.1420   -1.0820    1.7440 C   0  0  0  0  0
   -1.0660   -0.4270    1.8830 C   0  0  0  0  0
   -1.8220   -0.5310    3.0570 C   0  0  0  0  0
   -1.3170   -1.3150    4.0730 C   0  0  0  0  0
   -0.1110   -1.9730    3.9400 C   0  0  0  0  0
    0.6410   -1.8760    2.7870 C   0  0  0  0  0
    1.4770    1.2460   -1.6650 C   0  0  0  0  0
    2.6830    2.1280   -1.4480 C   0  0  0  0  0
    1.5840    0.0020   -2.5140 C   0  0  0  0  0
    2.9300   -0.4610   -3.0220 C   0  0  0  0  0
    0.3500   -0.7270   -2.5920 C   0  0  0  0  0
    0.1300   -2.0410   -3.3030 C   0  0  0  0  0
   -0.6440    0.0840   -1.8420 C   0  0  0  0  0
   -2.0350   -0.4990   -2.0360 C   0  0  0  0  0
    0.0580    1.5460   -1.2300 C   0  5  0  0  0
   -0.2740    2.8400   -0.5180 C   0  0  0  0  0
   -1.3310    0.2770    0.7330 N   0  0  0  0  0
    0.6580   -0.7890    0.4750 N   0  0  0  0  0
   -2.2460    2.0890   -3.6210 CL  0  5  0  0  0
   -0.2500    1.2970   -2.4770 IR  0  0  0  0  0
   -3.3440    0.4000    0.9360 H   0  0  0  0  0
   -2.7650    1.4930   -0.0330 H   0  0  0  0  0
   -2.5830    1.6620    1.5170 H   0  0  0  0  0
    2.2950   -1.9220    0.9050 H   0  0  0  0  0
    2.6030   -0.7230   -0.0440 H   0  0  0  0  0
    1.8590   -2.0050   -0.5950 H   0  0  0  0  0
   -2.6450   -0.0910    3.1650 H   0  0  0  0  0
   -1.8060   -1.4020    4.8720 H   0  0  0  0  0
    0.2070   -2.5010    4.6510 H   0  0  0  0  0
    1.4570   -2.3350    2.7250 H   0  0  0  0  0
    2.4340    2.9480   -1.0000 H   0  0  0  0  0
    3.0890    2.3540   -2.3000 H   0  0  0  0  0
    3.3330    1.6600   -0.8980 H   0  0  0  0  0
    2.8620   -1.3350   -3.4330 H   0  0  0  0  0
    3.5620   -0.5180   -2.2880 H   0  0  0  0  0
    3.2630    0.1680   -3.6840 H   0  0  0  0  0
   -0.3560   -2.6540   -2.7290 H   0  0  0  0  0
    0.9760   -2.4510   -3.5330 H   0  0  0  0  0
   -0.3750   -1.8920   -4.1190 H   0  0  0  0  0
   -2.7080    0.1420   -1.7760 H   0  0  0  0  0
   -2.1440   -1.3060   -1.5030 H   0  0  0  0  0
   -2.1850   -0.7100   -2.9710 H   0  0  0  0  0
   -1.2090    3.0570   -0.6500 H   0  0  0  0  0
    0.2500    3.5680   -0.8870 H   0  0  0  0  0
   -0.0850    2.7610    0.4320 H   0  0  0  0  0
    0.7860    3.0120   -3.8410 CL  0  5  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 23  1  0  0  0
  2 20  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3 21  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 32  1  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 12  2  0  0  0
 10 18  1  0  0  0
 10 23  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 12 23  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 16  2  0  0  0
 14 23  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 16 23  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
 18 23  1  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
 19 48  1  0  0  0
 23 22  1  0  0  0
 49 23  1  0  0  0
M  CHG  1   1  -2
M  CHG  1  18  -1
M  CHG  1  22  -1
M  CHG  1  49  -1
M  END
$$$$
