OBE
  CCTOOLS-0919241044

 41 43  0  0  1  0  0  0  0  0999 V2000
    3.3870   -0.0550   -0.8750 C   0  0  0  0  0
    1.9460   -0.5880   -0.9220 C   0  0  0  0  0
    1.0240    0.4150   -0.2220 C   0  0  0  0  0
    1.5740    0.7110    1.2200 C   0  0  0  0  0
    3.0400    1.1560    1.0930 C   0  0  0  0  0
    3.1290    2.2270   -0.0170 C   0  0  0  0  0
    3.3580    1.4300   -1.3180 C   0  0  0  0  0
   -1.3850    0.6790   -0.1410 C   0  0  0  0  0
   -2.7470    0.1150   -0.0510 C   0  0  0  0  0
   -3.8570    0.9600   -0.0520 C   0  0  0  0  0
   -5.1320    0.4230    0.0250 C   0  0  0  0  0
   -5.3020   -0.9510    0.1170 C   0  0  0  0  0
   -4.2030   -1.7900    0.1240 C   0  0  0  0  0
   -2.9290   -1.2670    0.0410 C   0  0  0  0  0
    1.8760   -1.9180   -0.2170 C   0  0  0  0  0
    5.2500    0.2440    0.6560 C   0  0  0  0  0
    3.8050    0.0020    0.5500 N   0  3  0  0  0
   -0.3150   -0.1390   -0.1340 O   0  0  0  0  0
   -1.2300    1.8810   -0.2210 O   0  0  0  0  0
    0.8470   -2.2590    0.3420 O   0  5  0  0  0
    2.8490   -2.6530   -0.2050 O   0  0  0  0  0
   -6.2160    1.2430    0.0180 O   0  0  0  0  0
    4.0650   -0.6530   -1.4840 H   0  0  0  0  0
    1.6340   -0.7080   -1.9590 H   0  0  0  0  0
    0.9950    1.3420   -0.7950 H   0  0  0  0  0
    1.5110   -0.1920    1.8270 H   0  0  0  0  0
    0.9850    1.5040    1.6800 H   0  0  0  0  0
    3.4450    1.5100    2.0410 H   0  0  0  0  0
    2.1980    2.7910   -0.0760 H   0  0  0  0  0
    3.9680    2.8980    0.1690 H   0  0  0  0  0
    2.5390    1.6010   -2.0170 H   0  0  0  0  0
    4.3090    1.7090   -1.7720 H   0  0  0  0  0
   -3.7230    2.0300   -0.1240 H   0  0  0  0  0
   -6.2970   -1.3670    0.1820 H   0  0  0  0  0
   -4.3420   -2.8590    0.1960 H   0  0  0  0  0
   -2.0730   -1.9250    0.0460 H   0  0  0  0  0
    5.5300    0.3220    1.7070 H   0  0  0  0  0
    5.7920   -0.5820    0.1960 H   0  0  0  0  0
    5.5020    1.1730    0.1440 H   0  0  0  0  0
    3.5530   -0.8490    1.0290 H   0  0  0  0  0
   -6.4020    1.4690    0.9390 H   0  0  0  0  0
  1  2  1  0  0  0
  1  7  1  0  0  0
  1 17  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 17  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  8 19  2  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 22  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 13 14  2  0  0  0
 13 35  1  0  0  0
 14 36  1  0  0  0
 15 20  1  0  0  0
 15 21  2  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 40  1  0  0  0
 22 41  1  0  0  0
M  CHG  1  17   1
M  CHG  1  20  -1
M  END
$$$$