A1JND
  CCTOOLS-0116261006

 28 28  0  0  0  0  0  0  0  0999 V2000
   -3.7380    0.7440    0.2430 C   0  0  0  0  0
   -5.0710    0.0680    0.0460 C   0  0  0  0  0
    3.5740   -0.3330   -0.1130 C   0  0  0  0  0
   -1.3410    0.4160    0.1340 C   0  0  0  0  0
   -0.2450   -0.6050   -0.1780 C   0  0  0  0  0
    1.1270    0.0460    0.0120 C   0  0  0  0  0
    2.2230   -0.9740   -0.3000 C   0  0  0  0  0
    4.5790   -0.7780    0.6760 C   0  0  0  0  0
   -2.6580   -0.2090   -0.0480 N   0  0  0  0  0
   -5.1160   -1.0880   -0.3010 O   0  0  0  0  0
    5.5920    0.1070    0.5310 N   0  0  0  0  0
    5.2140    1.0210   -0.2930 N   0  0  0  0  0
    4.0170    0.7840   -0.7000 N   0  0  0  0  0
   -3.6600    1.5980   -0.4300 H   0  0  0  0  0
   -3.6530    1.0850    1.2750 H   0  0  0  0  0
   -1.2400    0.7550    1.1650 H   0  0  0  0  0
   -1.2470    1.2680   -0.5400 H   0  0  0  0  0
   -0.3390   -1.4560    0.4960 H   0  0  0  0  0
   -0.3470   -0.9440   -1.2090 H   0  0  0  0  0
    1.2210    0.8980   -0.6620 H   0  0  0  0  0
    1.2280    0.3860    1.0430 H   0  0  0  0  0
    2.1210   -1.3140   -1.3310 H   0  0  0  0  0
    2.1290   -1.8260    0.3740 H   0  0  0  0  0
    4.5740   -1.6620    1.2980 H   0  0  0  0  0
   -2.7530   -0.5890   -0.9780 H   0  0  0  0  0
    6.4540    0.0630    0.9750 H   0  0  0  0  0
   -6.2070    0.7520    0.2560 O   0  0  0  0  0
   -7.0370    0.2760    0.1170 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2 10  2  0  0  0
  2 27  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  4 16  1  0  0  0
  4 17  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6  5  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7  6  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8  3  2  0  0  0
  8 24  1  0  0  0
  9  1  1  0  0  0
  9 25  1  0  0  0
 11 12  1  0  0  0
 11  8  1  0  0  0
 11 26  1  0  0  0
 12 13  2  0  0  0
 13  3  1  0  0  0
 27 28  1  0  0  0
M  END
$$$$
