991
  CCTOOLS-0919241037

 46 49  0  0  0  0  0  0  0  0999 V2000
    4.7520    0.3360   -0.2100 C   0  0  0  0  0
    4.4710   -0.9360    0.3090 C   0  0  0  0  0
    5.7690   -2.0490    0.6100 CL  0  0  0  0  0
    3.1770   -1.3050    0.5920 C   0  0  0  0  0
    2.1290   -0.4190    0.3530 C   0  0  0  0  0
    2.4040    0.8600   -0.1730 C   0  0  0  0  0
    3.7170    1.2330   -0.4530 C   0  0  0  0  0
    6.1480    0.7220   -0.5040 C   0  0  0  0  0
    6.8860   -0.0240   -1.3260 N   0  0  0  0  0
    6.6680    1.8150    0.0520 N   0  3  0  0  0
    0.7680   -0.5080    0.5280 N   0  0  0  0  0
    1.1120    1.5350   -0.3030 C   0  0  0  0  0
    0.1680    0.6660    0.1320 C   0  0  0  0  0
   -1.2850    0.9370    0.1770 C   0  0  0  0  0
   -1.7520    2.1920    0.5730 C   0  0  0  0  0
   -3.1080    2.4420    0.6130 C   0  0  0  0  0
   -4.0110    1.4530    0.2620 C   0  0  0  0  0
   -3.5610    0.2040   -0.1340 C   0  0  0  0  0
   -4.4530   -0.7630   -0.4780 O   0  0  0  0  0
   -2.1970   -0.0600   -0.1840 C   0  0  0  0  0
   -1.7520   -1.2840   -0.5720 O   0  5  0  0  0
   -6.7170   -0.9600   -1.3450 C   0  0  0  0  0
   -5.7470   -0.1560   -0.4620 C   0  0  0  0  0
   -6.3260   -0.1830    0.9670 C   0  0  0  0  0
   -7.8380   -0.4450    0.7590 C   0  0  0  0  0
   -7.8520   -1.4470   -0.4220 C   0  0  0  0  0
    2.9720   -2.2860    0.9950 H   0  0  0  0  0
    3.9300    2.2120   -0.8560 H   0  0  0  0  0
    6.5310   -0.8560   -1.6750 H   0  0  0  0  0
    7.7770    0.2660   -1.5740 H   0  0  0  0  0
    7.5840    2.0680   -0.1410 H   0  0  0  0  0
    6.1290    2.3600    0.6470 H   0  0  0  0  0
    0.3000   -1.2830    0.8780 H   0  0  0  0  0
    0.9440    2.5350   -0.6750 H   0  0  0  0  0
   -1.0520    2.9660    0.8490 H   0  0  0  0  0
   -3.4670    3.4130    0.9210 H   0  0  0  0  0
   -5.0710    1.6570    0.2960 H   0  0  0  0  0
   -7.1230   -0.3220   -2.1310 H   0  0  0  0  0
   -6.2010   -1.8130   -1.7860 H   0  0  0  0  0
   -5.6800    0.8720   -0.8200 H   0  0  0  0  0
   -5.8750   -0.9890    1.5460 H   0  0  0  0  0
   -6.1690    0.7760    1.4600 H   0  0  0  0  0
   -8.3560    0.4760    0.4900 H   0  0  0  0  0
   -8.2790   -0.8920    1.6500 H   0  0  0  0  0
   -8.8090   -1.4110   -0.9420 H   0  0  0  0  0
   -7.6480   -2.4580   -0.0670 H   0  0  0  0  0
  1  2  2  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  4  5  2  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  6  7  2  0  0  0
  6 12  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 10  2  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 11 13  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 20  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 17  2  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 20  2  0  0  0
 19 23  1  0  0  0
 20 21  1  0  0  0
 22 23  1  0  0  0
 22 26  1  0  0  0
 22 38  1  0  0  0
 22 39  1  0  0  0
 23 24  1  0  0  0
 23 40  1  0  0  0
 24 25  1  0  0  0
 24 41  1  0  0  0
 24 42  1  0  0  0
 25 26  1  0  0  0
 25 43  1  0  0  0
 25 44  1  0  0  0
 26 45  1  0  0  0
 26 46  1  0  0  0
M  CHG  1  10   1
M  CHG  1  21  -1
M  END
$$$$
