UPW
  CCTOOLS-0410261002

 36 37  0  0  0  0  0  0  0  0999 V2000
    1.4520   -1.0080   -0.0420 N   0  0  0  0  0
   -3.2480   -1.9390   -0.7400 C   0  0  0  0  0
   -3.3520   -0.8420    0.0950 C   0  0  0  0  0
    0.2090   -2.9950   -0.0690 N   0  0  0  0  0
   -2.2760   -0.4550    0.8720 C   0  0  0  0  0
   -0.3180    5.0610   -0.2310 O   0  0  0  0  0
    1.3740    3.2670   -0.1180 C   0  0  0  0  0
    4.9840   -0.3100    0.1180 O   0  0  0  0  0
   -0.9860   -2.2710   -0.0160 C   0  0  0  0  0
   -2.0690   -2.6570   -0.7950 C   0  0  0  0  0
   -4.6190   -0.0790    0.1560 N   0  3  0  0  0
    1.4300   -2.3270   -0.0210 C   0  0  0  0  0
   -4.7130    0.8880    0.8900 O   0  0  0  0  0
    2.5950   -0.3300    0.0020 C   0  0  0  0  0
   -5.5680   -0.4180   -0.5280 O   0  5  0  0  0
   -0.0520    3.7460   -0.1960 C   0  0  0  0  0
    1.3970    1.8020   -0.0920 N   0  0  0  0  0
    2.5730    1.1470   -0.0240 C   0  0  0  0  0
    3.6150    1.7720    0.0160 O   0  0  0  0  0
   -1.0920   -1.1650    0.8180 C   0  0  0  0  0
    2.6140   -3.0630    0.0490 C   0  0  0  0  0
    3.8230   -2.3980    0.0970 C   0  0  0  0  0
    3.8180   -1.0030    0.0740 C   0  0  0  0  0
   -0.9570    2.9460   -0.2260 O   0  0  0  0  0
   -4.0900   -2.2390   -1.3450 H   0  0  0  0  0
    0.1870   -3.9620   -0.1400 H   0  0  0  0  0
   -2.3610    0.4030    1.5220 H   0  0  0  0  0
   -1.2480    5.3200   -0.2810 H   0  0  0  0  0
    1.9250    3.6230   -0.9880 H   0  0  0  0  0
    1.8390    3.6530    0.7890 H   0  0  0  0  0
    5.3640   -0.1230   -0.7510 H   0  0  0  0  0
   -1.9890   -3.5160   -1.4440 H   0  0  0  0  0
    0.5650    1.3040   -0.1240 H   0  0  0  0  0
   -0.2520   -0.8620    1.4250 H   0  0  0  0  0
    2.5850   -4.1420    0.0660 H   0  0  0  0  0
    4.7520   -2.9450    0.1510 H   0  0  0  0  0
  1 12  1  0  0  0
  2 25  1  0  0  0
  3  2  1  0  0  0
  3 11  1  0  0  0
  4  9  1  0  0  0
  4 26  1  0  0  0
  5  3  2  0  0  0
  5 27  1  0  0  0
  6 16  1  0  0  0
  6 28  1  0  0  0
  7 17  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8 23  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
 10  2  2  0  0  0
 10 32  1  0  0  0
 11 15  1  0  0  0
 12  4  1  0  0  0
 13 11  2  0  0  0
 14  1  2  0  0  0
 16  7  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 18 14  1  0  0  0
 18 19  2  0  0  0
 20  9  2  0  0  0
 20  5  1  0  0  0
 20 34  1  0  0  0
 21 12  2  0  0  0
 21 35  1  0  0  0
 22 21  1  0  0  0
 22 36  1  0  0  0
 23 22  2  0  0  0
 23 14  1  0  0  0
 24 16  2  0  0  0
M  CHG  1  11   1
M  CHG  1  15  -1
M  END
$$$$
