B01
  CCTOOLS-0919241031

 50 52  0  0  1  0  0  0  0  0999 V2000
   -3.5650    1.6770   -1.1110 N   0  0  0  0  0
   -3.3560    0.3960   -0.4230 C   0  0  0  0  0
   -1.9000    0.2510   -0.0620 C   0  0  0  0  0
   -1.1890    1.2320   -0.0080 O   0  0  0  0  0
   -4.2030    0.3570    0.8500 C   0  0  0  0  0
   -5.6650    0.3780    0.4830 C   0  0  0  0  0
   -6.3420   -0.8090    0.2730 C   0  0  0  0  0
   -6.3280    1.5840    0.3570 C   0  0  0  0  0
   -7.6820   -0.7890   -0.0640 C   0  0  0  0  0
   -7.6690    1.6030    0.0190 C   0  0  0  0  0
   -8.3460    0.4170   -0.1910 C   0  0  0  0  0
   -1.3890   -0.9680    0.2000 N   0  0  0  0  0
    0.0320   -1.2670    0.4550 C   0  0  0  0  0
    0.9130   -0.4100   -0.4170 C   0  0  0  0  0
    0.4930    0.0150   -1.4720 O   0  0  0  0  0
    0.1960   -2.7620    0.0840 C   0  0  0  0  0
   -1.1520   -3.3540    0.5740 C   0  0  0  0  0
   -2.1560   -2.2200    0.2790 C   0  0  0  0  0
    3.0250    0.7170   -0.8710 C   0  0  0  0  0
    4.3670    0.8950   -0.2080 C   0  0  0  0  0
    5.6890    2.0480    1.2860 C   0  0  0  0  0
    6.7770    1.2430    1.0060 C   0  0  0  0  0
    6.6420    0.2260    0.0720 C   0  0  0  0  0
    5.4100    0.0540   -0.5440 C   0  0  0  0  0
    2.1680   -0.1160   -0.0230 N   0  0  0  0  0
    4.5330    1.8540    0.6810 N   0  0  0  0  0
    7.9810   -0.8100   -0.3140 CL  0  0  0  0  0
   -3.2990    2.4520   -0.5220 H   0  0  0  0  0
   -3.0670    1.7020   -1.9880 H   0  0  0  0  0
   -3.6510   -0.4220   -1.0810 H   0  0  0  0  0
   -3.9710    1.2250    1.4680 H   0  0  0  0  0
   -3.9820   -0.5540    1.4060 H   0  0  0  0  0
   -5.8240   -1.7510    0.3760 H   0  0  0  0  0
   -5.7990    2.5110    0.5210 H   0  0  0  0  0
   -8.2110   -1.7170   -0.2290 H   0  0  0  0  0
   -8.1870    2.5460   -0.0800 H   0  0  0  0  0
   -9.3930    0.4320   -0.4550 H   0  0  0  0  0
    0.2710   -1.1090    1.5070 H   0  0  0  0  0
    0.3080   -2.8860   -0.9930 H   0  0  0  0  0
    1.0360   -3.2070    0.6170 H   0  0  0  0  0
   -1.4070   -4.2510    0.0100 H   0  0  0  0  0
   -1.1130   -3.5670    1.6420 H   0  0  0  0  0
   -2.6590   -2.4070   -0.6690 H   0  0  0  0  0
   -2.8890   -2.1550    1.0840 H   0  0  0  0  0
    2.5590    1.6920   -1.0130 H   0  0  0  0  0
    3.1590    0.2340   -1.8390 H   0  0  0  0  0
    5.7850    2.8420    2.0120 H   0  0  0  0  0
    7.7210    1.4070    1.5050 H   0  0  0  0  0
    5.2690   -0.7280   -1.2760 H   0  0  0  0  0
    2.5050   -0.4560    0.8210 H   0  0  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2  1  1  0  0  0
  2 30  1  0  0  0
  3 12  1  0  0  0
  3  4  2  0  0  0
  5  2  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  5  1  0  0  0
  7  9  2  0  0  0
  7  6  1  0  0  0
  7 33  1  0  0  0
  8  6  2  0  0  0
  8 34  1  0  0  0
  9 11  1  0  0  0
  9 35  1  0  0  0
 10  8  1  0  0  0
 10 36  1  0  0  0
 11 10  2  0  0  0
 11 37  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 13 12  1  0  0  0
 13 38  1  0  0  0
 14 25  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
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 18 12  1  0  0  0
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 18 44  1  0  0  0
 19 20  1  0  0  0
 19 25  1  0  0  0
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 19 46  1  0  0  0
 20 24  2  0  0  0
 20 26  1  0  0  0
 21 22  1  0  0  0
 21 26  2  0  0  0
 21 47  1  0  0  0
 22 23  2  0  0  0
 22 48  1  0  0  0
 23 24  1  0  0  0
 23 27  1  0  0  0
 24 49  1  0  0  0
 25 50  1  0  0  0
M  END
$$$$
