A1EDT
  CCTOOLS-0410261002

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.9160    0.3300   -0.1300 C   0  0  0  0  0
   -0.3950   -0.7080    0.3700 C   0  0  0  0  0
    5.5010   -1.3510   -0.8820 C   0  0  0  0  0
    4.2730   -0.2530    0.5490 C   0  0  0  0  0
    3.5990   -0.3400   -0.6790 C   0  0  0  0  0
    2.3390    0.2420   -0.8200 C   0  0  0  0  0
    1.7650    0.8990    0.2510 C   0  0  0  0  0
    2.4380    0.9820    1.4660 C   0  0  0  0  0
    3.6840    0.4100    1.6150 C   0  0  0  0  0
   -0.5480    0.6490    0.1180 C   0  0  0  0  0
   -1.8090    1.1690   -0.1310 C   0  0  0  0  0
   -2.7560   -1.0270    0.1220 C   0  0  0  0  0
   -1.4970   -1.5410    0.3710 C   0  0  0  0  0
   -4.1890    0.8500   -0.3750 N   0  0  0  0  0
    4.4130   -1.0370   -1.5180 N   0  0  0  0  0
   -3.9340   -1.9230    0.1240 N   0  3  0  0  0
    0.5370    1.4670    0.1180 O   0  0  0  0  0
    5.4520   -0.8910    0.3780 O   0  0  0  0  0
   -4.9940   -1.5330    0.5790 O   0  5  0  0  0
   -3.8430   -3.0500   -0.3290 O   0  0  0  0  0
   -2.0040    2.8650   -0.4460 CL  0  0  0  0  0
    0.5870   -1.1130    0.5640 H   0  0  0  0  0
    6.3250   -1.9060   -1.3050 H   0  0  0  0  0
    1.8140    0.1790   -1.7620 H   0  0  0  0  0
    1.9820    1.4980    2.2980 H   0  0  0  0  0
    4.2010    0.4780    2.5600 H   0  0  0  0  0
   -1.3750   -2.5960    0.5670 H   0  0  0  0  0
   -4.9500    0.2540   -0.4540 H   0  0  0  0  0
   -4.3120    1.8080   -0.4670 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 15  2  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  5 15  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
 16 19  1  0  0  0
 17 10  1  0  0  0
 18  4  1  0  0  0
 18  3  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
$$$$
