A1JCN
  CCTOOLS-0731261038

 40 41  0  0  1  0  0  0  0  0999 V2000
   -3.0680   -1.0180   -1.2580 C   0  0  0  0  0
   -4.4790   -0.4900   -1.5210 C   0  0  0  0  0
   -5.1530   -0.1270   -0.1940 C   0  0  0  0  0
   -4.2920    0.8990    0.5140 C   0  0  0  0  0
   -2.1940    0.1030   -0.6880 C   0  0  0  0  0
   -2.8440    0.6220    0.5770 C   0  0  0  0  0
    0.2890    0.0170   -0.9130 C   0  0  0  0  0
   -2.1420    0.8210    1.6950 C   0  0  0  0  0
    2.7570    1.8420   -0.1800 N   0  0  0  0  0
    3.3610    0.5530    0.1850 C   0  0  0  0  0
    4.8500    0.6170   -0.0330 C   0  0  0  0  0
    5.3190    1.4560   -0.7660 O   0  0  0  0  0
    2.7640   -0.5540   -0.6870 C   0  0  0  0  0
    1.2960   -0.7000   -0.3790 C   0  0  0  0  0
    0.7300   -1.5860    0.4980 N   0  0  0  0  0
   -0.6040   -1.3790    0.4690 C   0  0  0  0  0
   -0.8610   -0.4190   -0.3770 N   0  3  0  0  0
    1.4400   -2.5730    1.3150 C   0  0  0  0  0
   -4.7700    1.9000    1.0060 O   0  0  0  0  0
   -3.1160   -1.8390   -0.5420 H   0  0  0  0  0
   -2.6350   -1.3770   -2.1910 H   0  0  0  0  0
   -4.4220    0.3960   -2.1530 H   0  0  0  0  0
   -5.0640   -1.2580   -2.0260 H   0  0  0  0  0
   -6.1410    0.2920   -0.3870 H   0  0  0  0  0
   -5.2470   -1.0190    0.4260 H   0  0  0  0  0
   -2.1110    0.9100   -1.4160 H   0  0  0  0  0
    0.3890    0.8080   -1.6420 H   0  0  0  0  0
   -2.6330    1.1920    2.5820 H   0  0  0  0  0
   -1.0830    0.6100    1.7120 H   0  0  0  0  0
    3.0870    2.5800    0.4250 H   0  0  0  0  0
    2.9330    2.0630   -1.1490 H   0  0  0  0  0
    3.1550    0.3400    1.2340 H   0  0  0  0  0
    2.8910   -0.2960   -1.7380 H   0  0  0  0  0
    3.2740   -1.4940   -0.4790 H   0  0  0  0  0
   -1.3370   -1.9190    1.0490 H   0  0  0  0  0
    1.7060   -2.1280    2.2730 H   0  0  0  0  0
    0.7960   -3.4370    1.4810 H   0  0  0  0  0
    2.3450   -2.8900    0.7970 H   0  0  0  0  0
    5.6570   -0.2590    0.5860 O   0  0  0  0  0
    6.6050   -0.1790    0.4150 H   0  0  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  1  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  2  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4 19  2  0  0  0
  4  6  1  0  0  0
  5  1  1  0  0  0
  5 26  1  0  0  0
  6  8  2  0  0  0
  6  5  1  0  0  0
  7 17  1  0  0  0
  7 27  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 32  1  0  0  0
 11 10  1  0  0  0
 11 12  2  0  0  0
 11 39  1  0  0  0
 13 10  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14  7  2  0  0  0
 15 14  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17  5  1  0  0  0
 18 15  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 39 40  1  0  0  0
M  CHG  1  17   1
M  END
$$$$
