TWQ
  CCTOOLS-0410261002

 35 36  0  0  1  0  0  0  0  0999 V2000
    4.6000    0.0090   -1.2380 C   0  0  0  0  0
    2.6150   -1.2320   -0.7240 C   0  0  0  0  0
    2.8950   -1.9670    0.5890 C   0  0  0  0  0
    2.3170   -1.1560    1.7530 C   0  0  0  0  0
    0.8170   -0.9510    1.5300 C   0  0  0  0  0
   -0.7480    0.0770    0.0900 C   0  0  0  0  0
   -1.1450    1.4080    0.0400 C   0  0  0  0  0
   -2.4790    1.7320   -0.1290 C   0  0  0  0  0
   -3.4250    0.7360   -0.2500 C   0  0  0  0  0
   -3.0370   -0.6070   -0.2020 C   0  0  0  0  0
   -4.0450   -1.6720   -0.3310 C   0  0  0  0  0
   -1.6880   -0.9330   -0.0370 C   0  0  0  0  0
    1.1060   -1.0250   -0.8750 C   0  0  0  0  0
    0.6010   -0.2430    0.2610 N   0  0  0  0  0
   -0.1370    2.4840    0.1700 N   0  3  0  0  0
    3.2720    0.0370   -0.7110 O   0  0  0  0  0
    1.0390    2.2020    0.3200 O   0  0  0  0  0
   -0.4820    3.6510    0.1270 O   0  5  0  0  0
    5.0300    1.0100   -1.1920 H   0  0  0  0  0
    5.2100   -0.6760   -0.6490 H   0  0  0  0  0
    4.5720   -0.3280   -2.2740 H   0  0  0  0  0
    2.9860   -1.8250   -1.5600 H   0  0  0  0  0
    2.4270   -2.9510    0.5630 H   0  0  0  0  0
    3.9710   -2.0790    0.7210 H   0  0  0  0  0
    2.4760   -1.6950    2.6860 H   0  0  0  0  0
    2.8140   -0.1870    1.8030 H   0  0  0  0  0
    0.3200   -1.9200    1.4940 H   0  0  0  0  0
    0.4060   -0.3620    2.3490 H   0  0  0  0  0
   -2.7800    2.7680   -0.1660 H   0  0  0  0  0
   -4.4670    0.9930   -0.3770 H   0  0  0  0  0
   -5.0860   -1.4180   -0.4630 H   0  0  0  0  0
   -1.3810   -1.9680    0.0000 H   0  0  0  0  0
    0.9040   -0.4890   -1.8030 H   0  0  0  0  0
    0.6070   -1.9940   -0.8990 H   0  0  0  0  0
   -3.7050   -2.8360   -0.2900 O   0  0  0  0  0
  1 16  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2 22  1  0  0  0
  3  2  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  3  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5 14  1  0  0  0
  5  4  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 14  1  0  0  0
  7 15  1  0  0  0
  8  7  2  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9  8  1  0  0  0
  9 30  1  0  0  0
 10 12  1  0  0  0
 11 10  1  0  0  0
 11 31  1  0  0  0
 11 35  2  0  0  0
 12  6  2  0  0  0
 12 32  1  0  0  0
 13  2  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 13  1  0  0  0
 15 18  1  0  0  0
 15 17  2  0  0  0
 16  2  1  0  0  0
M  CHG  1  15   1
M  CHG  1  18  -1
M  END
$$$$
