2W8
  CCTOOLS-0919241040

 33 34  0  0  0  0  0  0  0  0999 V2000
   -0.2060   -0.6240    0.2170 C   0  0  0  0  0
   -0.3220   -1.9940   -0.0130 C   0  0  0  0  0
    0.8060   -2.7900   -0.0030 C   0  0  0  0  0
    2.0490   -2.2320    0.2340 C   0  0  0  0  0
    2.1690   -0.8730    0.4620 C   0  0  0  0  0
    1.0490   -0.0670    0.4550 C   0  0  0  0  0
    3.5270   -0.2710    0.7200 C   0  0  0  0  0
    4.1560    0.1560   -0.6090 C   0  0  0  0  0
    5.5130    0.7570   -0.3510 C   0  0  0  0  0
    6.2540    1.2050   -1.3770 O   0  0  0  0  0
    5.9350    0.8370    0.7780 O   0  0  0  0  0
   -1.4130    0.2380    0.2020 C   0  0  0  0  0
   -1.2970    1.6080    0.4320 C   0  0  0  0  0
   -2.4230    2.4050    0.4160 C   0  0  0  0  0
   -3.6660    1.8470    0.1730 C   0  0  0  0  0
   -3.7870    0.4880   -0.0560 C   0  0  0  0  0
   -5.1190   -0.1010   -0.3150 N   0  3  0  0  0
   -6.1080    0.6100   -0.3280 O   0  0  0  0  0
   -5.2270   -1.2980   -0.5170 O   0  5  0  0  0
   -2.6660   -0.3180   -0.0470 C   0  0  0  0  0
   -1.2920   -2.4310   -0.1970 H   0  0  0  0  0
    0.7170   -3.8520   -0.1810 H   0  0  0  0  0
    2.9280   -2.8590    0.2400 H   0  0  0  0  0
    1.1450    0.9940    0.6330 H   0  0  0  0  0
    3.4220    0.5990    1.3680 H   0  0  0  0  0
    4.1660   -1.0100    1.2030 H   0  0  0  0  0
    4.2610   -0.7140   -1.2570 H   0  0  0  0  0
    3.5170    0.8940   -1.0920 H   0  0  0  0  0
    7.1180    1.5820   -1.1620 H   0  0  0  0  0
   -0.3280    2.0440    0.6220 H   0  0  0  0  0
   -2.3350    3.4670    0.5940 H   0  0  0  0  0
   -4.5450    2.4740    0.1660 H   0  0  0  0  0
   -2.7610   -1.3780   -0.2270 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3 22  1  0  0  0
  4 23  1  0  0  0
  5  4  1  0  0  0
  5  7  1  0  0  0
  6  5  2  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9  8  1  0  0  0
  9 10  1  0  0  0
 10 29  1  0  0  0
 11  9  2  0  0  0
 12  1  1  0  0  0
 13 12  1  0  0  0
 13 30  1  0  0  0
 14 13  2  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 15 14  1  0  0  0
 15 32  1  0  0  0
 16 20  1  0  0  0
 17 18  2  0  0  0
 17 16  1  0  0  0
 19 17  1  0  0  0
 20 12  2  0  0  0
 20 33  1  0  0  0
M  CHG  1  17   1
M  CHG  1  19  -1
M  END
$$$$
