A1EC2
  CCTOOLS-0410261002

 34 35  0  0  0  0  0  0  0  0999 V2000
    1.4960    1.0440    0.1560 C   0  0  0  0  0
    4.0640    0.0240    0.3330 C   0  0  0  0  0
    2.0870    0.4570   -0.9530 C   0  0  0  0  0
    5.8690   -1.0720   -0.7600 C   0  0  0  0  0
   -2.9110   -1.1320    0.0880 C   0  0  0  0  0
   -3.1540    0.2200   -0.1200 C   0  0  0  0  0
   -2.0970    1.1200   -0.1260 C   0  0  0  0  0
   -0.8020    0.6660    0.0750 C   0  0  0  0  0
   -0.5660   -0.6860    0.2820 C   0  0  0  0  0
   -1.6200   -1.5790    0.2930 C   0  0  0  0  0
    2.1940    1.1250    1.3520 C   0  0  0  0  0
    3.4750    0.6150    1.4400 C   0  0  0  0  0
    3.3680   -0.0520   -0.8650 C   0  0  0  0  0
    7.2850   -1.5750   -0.4710 C   0  0  0  0  0
   -4.4610    0.6730   -0.3220 N   0  0  0  0  0
   -4.0370   -2.0930    0.0950 N   0  3  0  0  0
    0.2350    1.5440    0.0690 O   0  0  0  0  0
    5.3250   -0.4770    0.4190 O   0  0  0  0  0
   -5.1000   -1.7830    0.6010 O   0  0  0  0  0
   -3.9000   -3.1950   -0.4060 O   0  5  0  0  0
   -2.3960    2.8110   -0.3860 CL  0  0  0  0  0
    1.5460    0.3980   -1.8860 H   0  0  0  0  0
    5.9020   -0.3320   -1.5590 H   0  0  0  0  0
    5.2420   -1.9100   -1.0670 H   0  0  0  0  0
    0.4420   -1.0400    0.4380 H   0  0  0  0  0
   -1.4330   -2.6310    0.4540 H   0  0  0  0  0
    1.7350    1.5860    2.2150 H   0  0  0  0  0
    4.0160    0.6740    2.3730 H   0  0  0  0  0
    3.8290   -0.5080   -1.7290 H   0  0  0  0  0
    7.7000   -2.0290   -1.3710 H   0  0  0  0  0
    7.9120   -0.7380   -0.1640 H   0  0  0  0  0
    7.2520   -2.3160    0.3280 H   0  0  0  0  0
   -5.1940    0.0390   -0.3560 H   0  0  0  0  0
   -4.6340    1.6210   -0.4290 H   0  0  0  0  0
  1 17  1  0  0  0
  1 11  2  0  0  0
  2 12  2  0  0  0
  3  1  1  0  0  0
  3 22  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5 16  1  0  0  0
  6 15  1  0  0  0
  6  5  2  0  0  0
  7  6  1  0  0  0
  8  7  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10  5  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 12 11  1  0  0  0
 12 28  1  0  0  0
 13  3  2  0  0  0
 13  2  1  0  0  0
 13 29  1  0  0  0
 14  4  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 16 19  2  0  0  0
 16 20  1  0  0  0
 17  8  1  0  0  0
 18  2  1  0  0  0
 18  4  1  0  0  0
 21  7  1  0  0  0
M  CHG  1  16   1
M  CHG  1  20  -1
M  END
$$$$
