A1EDI
  CCTOOLS-0417260958

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.9070    0.3300   -0.1340 C   0  0  0  0  0
   -0.3880   -0.7050    0.3820 C   0  0  0  0  0
    5.5230   -1.3620   -0.7940 C   0  0  0  0  0
    4.2720   -0.2470    0.5730 C   0  0  0  0  0
    3.6020   -0.3390   -0.6570 C   0  0  0  0  0
    2.3510    0.2390   -0.8040 C   0  0  0  0  0
    1.7720    0.9020    0.2650 C   0  0  0  0  0
    2.4390    0.9910    1.4820 C   0  0  0  0  0
    3.6740    0.4260    1.6400 C   0  0  0  0  0
   -0.5400    0.6510    0.1230 C   0  0  0  0  0
   -1.8010    1.1690   -0.1340 C   0  0  0  0  0
   -2.7480   -1.0260    0.1250 C   0  0  0  0  0
   -1.4900   -1.5380    0.3820 C   0  0  0  0  0
   -4.1800    0.8490   -0.3870 N   0  0  0  0  0
    5.4540   -0.9050    0.4190 N   0  0  0  0  0
   -3.9260   -1.9220    0.1270 N   0  3  0  0  0
    0.5440    1.4690    0.1240 O   0  0  0  0  0
    4.4170   -1.0350   -1.4800 O   0  0  0  0  0
   -4.9880   -1.5300    0.5760 O   0  5  0  0  0
   -3.8330   -3.0510   -0.3200 O   0  0  0  0  0
   -1.9950    2.8640   -0.4580 CL  0  0  0  0  0
    0.5930   -1.1080    0.5820 H   0  0  0  0  0
    6.3550   -1.9230   -1.1950 H   0  0  0  0  0
    1.8300    0.1720   -1.7470 H   0  0  0  0  0
    1.9790    1.5110    2.3090 H   0  0  0  0  0
    4.1850    0.5000    2.5880 H   0  0  0  0  0
   -1.3690   -2.5920    0.5830 H   0  0  0  0  0
   -4.9400    0.2520   -0.4670 H   0  0  0  0  0
   -4.3020    1.8060   -0.4840 H   0  0  0  0  0
  1 12  2  0  0  0
  2 13  2  0  0  0
  2 22  1  0  0  0
  3 18  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  5 18  1  0  0  0
  5  6  2  0  0  0
  6 24  1  0  0  0
  7  6  1  0  0  0
  7 17  1  0  0  0
  8  7  2  0  0  0
  8 25  1  0  0  0
  9  4  2  0  0  0
  9  8  1  0  0  0
  9 26  1  0  0  0
 10  2  1  0  0  0
 11 10  2  0  0  0
 11  1  1  0  0  0
 12 13  1  0  0  0
 12 16  1  0  0  0
 13 27  1  0  0  0
 14  1  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 15  4  1  0  0  0
 15  3  2  0  0  0
 16 19  1  0  0  0
 17 10  1  0  0  0
 20 16  2  0  0  0
 21 11  1  0  0  0
M  CHG  1  16   1
M  CHG  1  19  -1
M  END
$$$$
