A1COX
  CCTOOLS-0522260957

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.8450    0.4780   -0.0020 C   0  0  0  0  0
    0.2620    0.9540   -0.0000 C   0  0  0  0  0
   -4.4720   -0.1840   -0.0010 C   0  0  0  0  0
   -2.1410    0.3330   -0.0000 C   0  0  0  0  0
   -0.7150   -0.0400    0.0000 C   0  0  0  0  0
   -0.3480   -1.3940    0.0010 C   0  0  0  0  0
    0.9660   -1.7510    0.0020 C   0  0  0  0  0
    1.9590   -0.7640    0.0010 C   0  0  0  0  0
    3.4210   -0.7990   -0.0040 C   0  0  0  0  0
    1.6020    0.5990   -0.0000 C   0  0  0  0  0
    2.7740    1.3250    0.0030 N   0  0  0  0  0
   -3.0890   -0.6250    0.0000 O   0  0  0  0  0
   -2.4630    1.5050   -0.0020 O   0  0  0  0  0
    4.8790    0.7870   -0.0000 H   0  0  0  0  0
   -0.0240    1.9950   -0.0010 H   0  0  0  0  0
   -5.1300   -1.0530    0.0000 H   0  0  0  0  0
   -4.6630    0.4160    0.8890 H   0  0  0  0  0
   -4.6620    0.4150   -0.8910 H   0  0  0  0  0
   -1.1120   -2.1580    0.0020 H   0  0  0  0  0
    1.2420   -2.7950    0.0030 H   0  0  0  0  0
    4.0420   -1.6820   -0.0080 H   0  0  0  0  0
    2.8290    2.2930    0.0090 H   0  0  0  0  0
  1 11  1  0  0  0
  1 14  1  0  0  0
  2 10  1  0  0  0
  2 15  1  0  0  0
  3 12  1  0  0  0
  3 16  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4 13  2  0  0  0
  4  5  1  0  0  0
  5  2  2  0  0  0
  6  7  2  0  0  0
  6  5  1  0  0  0
  6 19  1  0  0  0
  7  8  1  0  0  0
  7 20  1  0  0  0
  8  9  1  0  0  0
  8 10  2  0  0  0
  9  1  2  0  0  0
  9 21  1  0  0  0
 10 11  1  0  0  0
 11 22  1  0  0  0
 12  4  1  0  0  0
M  END
$$$$
