A1AVS
  CCTOOLS-0620250948

 26 27  0  0  0  0  0  0  0  0999 V2000
   -2.9480    0.7740    0.0120 C   0  0  0  0  0
   -1.9360   -1.3460   -0.0640 C   0  0  0  0  0
   -0.6120   -0.6640   -0.3510 C   0  0  0  0  0
    0.3790   -1.0660    0.7440 C   0  0  0  0  0
    1.7390   -0.5040    0.4220 C   0  0  0  0  0
    2.0960    0.7490    0.8820 C   0  0  0  0  0
    3.3440    1.2650    0.5870 C   0  0  0  0  0
    4.2360    0.5260   -0.1680 C   0  0  0  0  0
    3.8790   -0.7280   -0.6280 C   0  0  0  0  0
    2.6330   -1.2450   -0.3290 C   0  0  0  0  0
   -0.6400    0.8510   -0.4280 C   0  0  0  0  0
   -3.0210   -0.5590    0.0980 N   0  0  0  0  0
   -1.8280    1.4630   -0.2370 N   0  0  0  0  0
   -3.9740    1.4050    0.1660 O   0  0  0  0  0
   -2.0170   -2.5530    0.0160 O   0  0  0  0  0
    0.3660    1.4880   -0.6530 O   0  0  0  0  0
   -0.2350   -1.0410   -1.3020 H   0  0  0  0  0
    0.0400   -0.6730    1.7020 H   0  0  0  0  0
    0.4380   -2.1540    0.7980 H   0  0  0  0  0
    1.3990    1.3260    1.4720 H   0  0  0  0  0
    3.6230    2.2440    0.9460 H   0  0  0  0  0
    5.2110    0.9290   -0.3990 H   0  0  0  0  0
    4.5760   -1.3040   -1.2190 H   0  0  0  0  0
    2.3560   -2.2260   -0.6850 H   0  0  0  0  0
   -3.8780   -0.9720    0.2830 H   0  0  0  0  0
   -1.8710    2.4310   -0.2810 H   0  0  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2 15  2  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  7  8  2  0  0  0
  7 21  1  0  0  0
  8 22  1  0  0  0
  9  8  1  0  0  0
  9 23  1  0  0  0
 10  9  2  0  0  0
 10 24  1  0  0  0
 11 16  2  0  0  0
 11  3  1  0  0  0
 12  2  1  0  0  0
 12 25  1  0  0  0
 13 11  1  0  0  0
 13 26  1  0  0  0
 14  1  2  0  0  0
M  END
$$$$
