A1LUT
  CCTOOLS-1219251125

 18 17  0  0  1  0  0  0  0  0999 V2000
    1.7980    1.4160    0.8540 N   0  0  0  0  0
    0.7000    0.4430    0.7790 C   0  0  0  0  0
   -0.4630    1.0470   -0.0110 C   0  0  0  0  0
   -0.0590    1.2620   -1.3650 O   0  0  0  0  0
   -1.6360    0.1000    0.0190 C   0  0  0  0  0
   -2.2630   -0.1590    1.1830 N   0  0  0  0  0
   -2.0140   -0.4290   -1.0050 O   0  0  0  0  0
    1.1820   -0.8060    0.0870 C   0  0  0  0  0
    0.5170   -1.9610    0.2490 O   0  0  0  0  0
    2.1660   -0.7680   -0.6120 O   0  0  0  0  0
    2.1650    1.6180   -0.0640 H   0  0  0  0  0
    1.5020    2.2610    1.3190 H   0  0  0  0  0
    0.3650    0.1950    1.7860 H   0  0  0  0  0
   -0.7530    1.9970    0.4380 H   0  0  0  0  0
    0.2120    0.4570   -1.8270 H   0  0  0  0  0
   -1.9180    0.2080    2.0120 H   0  0  0  0  0
   -3.0590   -0.7130    1.1920 H   0  0  0  0  0
    0.8640   -2.7360   -0.2150 H   0  0  0  0  0
  1  2  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  2 13  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 14  1  0  0  0
  4 15  1  0  0  0
  5  6  1  0  0  0
  5  7  2  0  0  0
  6 16  1  0  0  0
  6 17  1  0  0  0
  8  9  1  0  0  0
  8 10  2  0  0  0
  9 18  1  0  0  0
M  END
$$$$
