A1L81
  CCTOOLS-0410261002

 42 42  0  0  0  0  0  0  0  0999 V2000
   -0.2760   -0.0050   -0.5690 C   0  0  0  0  0
   -1.5770   -0.0080   -0.9190 N   0  0  0  0  0
   -3.9940   -0.0050   -0.5440 C   0  0  0  0  0
   -5.0770    0.0020    0.5370 C   0  0  0  0  0
   -7.5400    0.0050    0.9580 C   0  0  0  0  0
    4.0170    1.2010   -0.0920 C   0  0  0  0  0
    4.6450    0.0020    0.2110 C   0  0  0  0  0
    4.0200   -1.2000   -0.0860 C   0  0  0  0  0
    2.7740   -1.2000   -0.6830 C   0  0  0  0  0
    2.1500   -0.0040   -0.9840 C   0  0  0  0  0
    2.7710    1.1960   -0.6890 C   0  0  0  0  0
    0.7900   -0.0070   -1.6340 C   0  0  0  0  0
   -2.6140   -0.0010    0.1160 C   0  0  0  0  0
   -6.4570   -0.0020   -0.1230 C   0  0  0  0  0
   -8.8990    0.0010    0.3070 C   0  0  0  0  0
    4.6790    2.4860    0.2290 N   0  3  0  0  0
    4.6870   -2.4820    0.2350 N   0  3  0  0  0
    5.8710    0.0050    0.7980 O   0  0  0  0  0
    4.1270    3.5390   -0.0370 O   0  0  0  0  0
    5.7750    2.4900    0.7600 O   0  5  0  0  0
    4.1380   -3.5370   -0.0260 O   0  0  0  0  0
    5.7860   -2.4810    0.7610 O   0  5  0  0  0
    0.0370    0.0020    0.6030 O   0  0  0  0  0
   -8.9930   -0.0070   -0.8970 O   0  0  0  0  0
  -10.0060    0.0060    1.0660 O   0  0  0  0  0
   -1.8280   -0.0140   -1.8560 H   0  0  0  0  0
   -4.1000   -0.8990   -1.1580 H   0  0  0  0  0
   -4.1000    0.8810   -1.1710 H   0  0  0  0  0
   -4.9710   -0.8830    1.1630 H   0  0  0  0  0
   -4.9710    0.8960    1.1510 H   0  0  0  0  0
   -7.4340   -0.8810    1.5840 H   0  0  0  0  0
   -7.4340    0.8990    1.5720 H   0  0  0  0  0
    2.2870   -2.1360   -0.9150 H   0  0  0  0  0
    2.2820    2.1290   -0.9250 H   0  0  0  0  0
    0.6860   -0.8980   -2.2520 H   0  0  0  0  0
    0.6830    0.8820   -2.2560 H   0  0  0  0  0
   -2.5080   -0.8870    0.7430 H   0  0  0  0  0
   -2.5080    0.8930    0.7300 H   0  0  0  0  0
   -6.5630    0.8840   -0.7500 H   0  0  0  0  0
   -6.5630   -0.8960   -0.7380 H   0  0  0  0  0
    5.8450    0.0070    1.7640 H   0  0  0  0  0
  -10.8560    0.0030    0.6040 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  2  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4 14  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5 15  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  6 16  1  0  0  0
  7  8  1  0  0  0
  7 18  1  0  0  0
  8  9  2  0  0  0
  8 17  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 11 34  1  0  0  0
 12  1  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 13  2  1  0  0  0
 13  3  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14  5  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 24  2  0  0  0
 15 25  1  0  0  0
 16 19  2  0  0  0
 16 20  1  0  0  0
 17 21  2  0  0  0
 17 22  1  0  0  0
 18 41  1  0  0  0
 25 42  1  0  0  0
M  CHG  1  16   1
M  CHG  1  17   1
M  CHG  1  20  -1
M  CHG  1  22  -1
M  END
$$$$
