801
  CCTOOLS-0919241031

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.3090   -0.0380   -0.0010 C   0  0  0  0  0
    3.1850   -1.4330    0.0010 C   0  0  0  0  0
    1.9520   -2.0180    0.0010 C   0  0  0  0  0
    0.8060   -1.2320    0.0000 C   0  0  0  0  0
    0.9110    0.1720   -0.0010 C   0  0  0  0  0
    2.1750    0.7660    0.0050 C   0  0  0  0  0
    4.6510    0.5820   -0.0010 C   0  0  0  0  0
    4.7720    1.9090   -0.0020 N   0  0  0  0  0
    5.7400   -0.1860   -0.0010 N   0  3  0  0  0
   -0.5430   -1.5150    0.0000 N   0  0  0  0  0
   -0.3500    0.6690   -0.0010 N   0  0  0  0  0
   -1.2100   -0.3190   -0.0010 C   0  0  0  0  0
   -2.6810   -0.1660   -0.0010 C   0  0  0  0  0
   -3.4560   -1.2440    0.0000 N   0  0  0  0  0
   -4.7690   -1.1500    0.0000 C   0  0  0  0  0
   -5.3970    0.0840   -0.0020 C   0  0  0  0  0
   -4.6310    1.2390   -0.0020 C   0  0  0  0  0
   -3.2460    1.1150    0.0030 C   0  0  0  0  0
   -2.4550    2.2180    0.0030 O   0  5  0  0  0
    4.0710   -2.0500    0.0010 H   0  0  0  0  0
    1.8670   -3.0950    0.0020 H   0  0  0  0  0
    2.2700    1.8420    0.0100 H   0  0  0  0  0
    3.9790    2.4680   -0.0030 H   0  0  0  0  0
    5.6520    2.3160   -0.0030 H   0  0  0  0  0
    6.6200    0.2210   -0.0010 H   0  0  0  0  0
    5.6520   -1.1520    0.0040 H   0  0  0  0  0
   -0.9460   -2.3980    0.0020 H   0  0  0  0  0
   -5.3660   -2.0500    0.0000 H   0  0  0  0  0
   -6.4750    0.1470   -0.0020 H   0  0  0  0  0
   -5.0990    2.2120   -0.0030 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  6  2  0  0  0
  5 11  1  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7  9  2  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 12  1  0  0  0
 10 27  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 28  1  0  0  0
 16 17  1  0  0  0
 16 29  1  0  0  0
 17 18  2  0  0  0
 17 30  1  0  0  0
 18 19  1  0  0  0
M  CHG  1   9   1
M  CHG  1  19  -1
M  END
$$$$