A1IZ5
  CCTOOLS-0410261002

 44 46  0  0  0  0  0  0  0  0999 V2000
   -2.0340    0.2490    0.0020 C   0  0  0  0  0
   -1.3770   -0.9880    0.0080 C   0  0  0  0  0
    0.0990   -1.0510    0.0060 C   0  0  0  0  0
    0.9640    0.0060    0.0050 C   0  0  0  0  0
    2.2460   -0.6040    0.0040 C   0  0  0  0  0
    3.5610    0.0860    0.0030 C   0  0  0  0  0
    3.6200    1.4780    0.0080 C   0  0  0  0  0
    4.8440    2.1150    0.0070 C   0  0  0  0  0
    6.0120    1.3730   -0.0000 C   0  0  0  0  0
    7.3460    2.0730   -0.0020 C   0  0  0  0  0
    5.9590   -0.0090   -0.0050 C   0  0  0  0  0
    4.7400   -0.6560    0.0020 C   0  0  0  0  0
   -7.9720    2.1690   -0.0090 C   0  0  0  0  0
   -7.5990    0.7090   -0.0030 C   0  0  0  0  0
   -5.5730   -0.6440    0.0070 C   0  0  0  0  0
   -4.1020   -0.7760    0.0110 C   0  0  0  0  0
   -2.1360   -2.1610    0.0150 C   0  0  0  0  0
   -3.5210   -2.0510    0.0170 C   0  0  0  0  0
   -6.1400    0.5780    0.0010 N   0  0  0  0  0
   -3.3440    0.3150    0.0090 N   0  0  0  0  0
    7.2130   -0.7960   -0.0120 N   0  3  0  0  0
    2.0380   -1.8980    0.0050 N   0  0  0  0  0
   -9.2650    2.5320   -0.0140 O   0  0  0  0  0
   -7.1080    3.0140   -0.0100 O   0  0  0  0  0
   -6.2730   -1.6390    0.0090 O   0  0  0  0  0
    7.1420    3.4880    0.0040 O   0  0  0  0  0
    7.1680   -2.0130   -0.0160 O   0  0  0  0  0
    8.2890   -0.2270   -0.0130 O   0  5  0  0  0
    0.8590   -2.1620    0.0110 O   0  0  0  0  0
   -4.3000   -3.1620    0.0200 O   0  0  0  0  0
   -1.4540    1.1600   -0.0030 H   0  0  0  0  0
    0.7280    1.0600    0.0040 H   0  0  0  0  0
    2.7080    2.0580    0.0130 H   0  0  0  0  0
    4.8910    3.1940    0.0100 H   0  0  0  0  0
    7.9100    1.7840    0.8860 H   0  0  0  0  0
    7.9040    1.7910   -0.8940 H   0  0  0  0  0
    4.7000   -1.7350    0.0030 H   0  0  0  0  0
   -8.0090    0.2330    0.8870 H   0  0  0  0  0
   -8.0050    0.2270   -0.8920 H   0  0  0  0  0
   -1.6580   -3.1300    0.0200 H   0  0  0  0  0
   -5.5820    1.3720    0.0000 H   0  0  0  0  0
   -9.4550    3.4800   -0.0180 H   0  0  0  0  0
    7.9600    4.0030    0.0040 H   0  0  0  0  0
   -4.5240   -3.4870   -0.8630 H   0  0  0  0  0
  1  2  2  0  0  0
  1 31  1  0  0  0
  2 17  1  0  0  0
  2  3  1  0  0  0
  3 29  1  0  0  0
  4  3  2  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5 22  2  0  0  0
  6  5  1  0  0  0
  6 12  2  0  0  0
  7  6  1  0  0  0
  7 33  1  0  0  0
  8  7  2  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 11  2  0  0  0
 10  9  1  0  0  0
 10 26  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 21  1  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 14 19  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 16 18  1  0  0  0
 17 40  1  0  0  0
 18 30  1  0  0  0
 18 17  2  0  0  0
 19 15  1  0  0  0
 19 41  1  0  0  0
 20 16  2  0  0  0
 20  1  1  0  0  0
 21 27  2  0  0  0
 23 13  1  0  0  0
 23 42  1  0  0  0
 24 13  2  0  0  0
 25 15  2  0  0  0
 26 43  1  0  0  0
 28 21  1  0  0  0
 29 22  1  0  0  0
 30 44  1  0  0  0
M  CHG  1  21   1
M  CHG  1  28  -1
M  END
$$$$
