A1JNL
  CCTOOLS-0206261215

 31 31  0  0  1  0  0  0  0  0999 V2000
   -2.9080   -0.2810    0.2280 C   0  0  0  0  0
   -3.3460    1.1170   -0.1240 C   0  0  0  0  0
   -0.5320   -0.0510    0.6390 C   0  0  0  0  0
    0.8510   -0.2120    0.0060 C   0  0  0  0  0
    1.9200    0.2760    0.9860 C   0  0  0  0  0
    3.2830    0.1170    0.3630 C   0  0  0  0  0
   -2.6110    1.8400   -0.7530 O   0  0  0  0  0
    4.2190    1.0820    0.2060 C   0  0  0  0  0
   -1.5590   -0.5190   -0.3020 N   0  0  0  0  0
    5.2780    0.4870   -0.3910 N   0  0  0  0  0
    4.9910   -0.7530   -0.5770 N   0  0  0  0  0
    3.8080   -1.0060   -0.1380 N   0  0  0  0  0
   -2.8970   -0.3960    1.3120 H   0  0  0  0  0
   -0.5840   -0.6400    1.5550 H   0  0  0  0  0
   -0.7050    1.0000    0.8720 H   0  0  0  0  0
    1.0240   -1.2630   -0.2270 H   0  0  0  0  0
    0.9030    0.3770   -0.9100 H   0  0  0  0  0
    1.7470    1.3270    1.2190 H   0  0  0  0  0
    1.8690   -0.3130    1.9020 H   0  0  0  0  0
    4.1370    2.1190    0.4970 H   0  0  0  0  0
   -1.4440   -0.0870   -1.2070 H   0  0  0  0  0
    6.1100    0.9210   -0.6360 H   0  0  0  0  0
   -3.8810   -1.2910   -0.3820 C   0  0  0  0  0
   -3.5170   -2.7000    0.0890 C   0  0  0  0  0
   -4.8970   -1.0530   -0.0660 H   0  0  0  0  0
   -3.8190   -1.2440   -1.4700 H   0  0  0  0  0
   -4.2630   -3.4080   -0.2730 H   0  0  0  0  0
   -2.5370   -2.9730   -0.3040 H   0  0  0  0  0
   -3.4910   -2.7240    1.1780 H   0  0  0  0  0
   -4.5550    1.5580    0.2600 O   0  0  0  0  0
   -4.7920    2.4620    0.0110 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 23  1  0  0  0
  2  7  2  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 14  1  0  0  0
  3 15  1  0  0  0
  4 16  1  0  0  0
  4 17  1  0  0  0
  5  4  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6 12  1  0  0  0
  6  5  1  0  0  0
  8  6  2  0  0  0
  8 20  1  0  0  0
  9  1  1  0  0  0
  9 21  1  0  0  0
 10  8  1  0  0  0
 10 11  1  0  0  0
 10 22  1  0  0  0
 11 12  2  0  0  0
 23 24  1  0  0  0
 23 25  1  0  0  0
 23 26  1  0  0  0
 24 27  1  0  0  0
 24 28  1  0  0  0
 24 29  1  0  0  0
 30 31  1  0  0  0
M  END
$$$$
