A1EDG
  CCTOOLS-0410261002

 30 32  0  0  0  0  0  0  0  0999 V2000
   -1.7020    0.7180    0.2690 C   0  0  0  0  0
   -4.1420   -0.5590    0.5860 C   0  0  0  0  0
   -2.0690    0.2180    1.5090 C   0  0  0  0  0
   -5.9320   -0.6320   -0.7480 C   0  0  0  0  0
    2.8910   -0.9990   -0.0690 C   0  0  0  0  0
    3.0060    0.3850   -0.0480 C   0  0  0  0  0
    1.8650    1.1740    0.0150 C   0  0  0  0  0
    0.6140    0.5760    0.0550 C   0  0  0  0  0
    0.5060   -0.8080    0.0330 C   0  0  0  0  0
    1.6430   -1.5900   -0.0290 C   0  0  0  0  0
   -2.5580    0.5850   -0.8140 C   0  0  0  0  0
   -3.7770   -0.0520   -0.6590 C   0  0  0  0  0
   -3.2890   -0.4150    1.6680 C   0  0  0  0  0
    4.2690    0.9830   -0.0880 N   0  0  0  0  0
    4.1070   -1.8410   -0.1420 N   0  3  0  0  0
   -0.5050    1.3450    0.1170 O   0  0  0  0  0
   -4.7770   -0.3200   -1.5490 O   0  0  0  0  0
   -5.3710   -1.1440    0.4760 O   0  0  0  0  0
    5.0470   -1.4950   -0.8340 O   0  5  0  0  0
    4.1660   -2.8800    0.4910 O   0  0  0  0  0
    2.0040    2.9040    0.0430 CL  0  0  0  0  0
   -1.4020    0.3210    2.3520 H   0  0  0  0  0
   -6.5170    0.2670   -0.5530 H   0  0  0  0  0
   -0.4680   -1.2730    0.0640 H   0  0  0  0  0
    1.5560   -2.6670   -0.0500 H   0  0  0  0  0
   -2.2730    0.9790   -1.7790 H   0  0  0  0  0
   -3.5710   -0.8070    2.6330 H   0  0  0  0  0
    5.0670    0.4310   -0.0910 H   0  0  0  0  0
    4.3470    1.9490   -0.1130 H   0  0  0  0  0
   -6.5450   -1.3880   -1.2370 H   0  0  0  0  0
  1 11  1  0  0  0
  1 16  1  0  0  0
  2 12  1  0  0  0
  3  1  2  0  0  0
  3 22  1  0  0  0
  4 17  1  0  0  0
  4 23  1  0  0  0
  4 30  1  0  0  0
  5 10  1  0  0  0
  5 15  1  0  0  0
  6  5  2  0  0  0
  7  8  2  0  0  0
  7  6  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 24  1  0  0  0
 10 25  1  0  0  0
 11 26  1  0  0  0
 12 17  1  0  0  0
 12 11  2  0  0  0
 13  2  2  0  0  0
 13  3  1  0  0  0
 13 27  1  0  0  0
 14  6  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 15 19  1  0  0  0
 15 20  2  0  0  0
 16  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  15   1
M  CHG  1  19  -1
M  END
$$$$
