A1CQQ
  CCTOOLS-0116261005

 57 60  0  0  0  0  0  0  0  0999 V2000
   -7.3510    1.9200    0.3290 C   0  0  0  0  0
   -2.4290   -0.7910   -0.3830 C   0  0  0  0  0
   -0.2550   -0.0150   -0.3040 C   0  0  0  0  0
    0.2530   -1.3050   -0.0970 C   0  0  0  0  0
    1.7050   -1.5210    0.0510 C   0  0  0  0  0
    3.9940   -0.6900    0.1340 C   0  0  0  0  0
    4.7230    0.6510    0.0220 C   0  0  0  0  0
    6.2060    0.4300    0.1730 C   0  0  0  0  0
    8.5160    1.4040    0.2390 C   0  0  0  0  0
    9.0630    2.8370    0.0710 C   0  0  0  0  0
    7.9270    3.5530   -0.7070 C   0  0  0  0  0
    6.6670    2.8830   -0.1050 C   0  0  0  0  0
   -0.6330   -2.3830   -0.0310 C   0  0  0  0  0
   -1.9990   -2.1180   -0.1770 C   0  0  0  0  0
   -3.2510   -4.4400    0.0180 C   0  0  0  0  0
   -3.2010   -2.9460   -0.1700 C   0  0  0  0  0
   -4.2210   -2.1590   -0.3550 N   0  0  0  0  0
   -3.7910   -0.8350   -0.4840 N   0  0  0  0  0
   -4.6620    0.3220   -0.7030 C   0  0  0  0  0
   -5.0860    0.9030    0.6480 C   0  0  0  0  0
   -5.9830    2.0930    0.4230 C   0  0  0  0  0
   -5.4370    3.3580    0.3110 C   0  0  0  0  0
   -6.2590    4.4500    0.1060 C   0  0  0  0  0
   -7.6270    4.2770    0.0120 C   0  0  0  0  0
   -8.1730    3.0110    0.1170 C   0  0  0  0  0
   -1.5430    0.1990   -0.4380 N   0  0  0  0  0
    2.1380   -2.6430    0.2310 O   0  0  0  0  0
    2.5520   -0.4750   -0.0130 N   0  0  0  0  0
    6.6380   -0.6890    0.3520 O   0  0  0  0  0
    7.0540    1.4760    0.1090 N   0  0  0  0  0
   -7.7780    0.9320    0.4160 H   0  0  0  0  0
    0.4270    0.8200   -0.3550 H   0  0  0  0  0
    4.3430   -1.3600   -0.6520 H   0  0  0  0  0
    4.1980   -1.1340    1.1080 H   0  0  0  0  0
    4.5190    1.0950   -0.9520 H   0  0  0  0  0
    4.3740    1.3210    0.8070 H   0  0  0  0  0
    8.9260    0.7580   -0.5380 H   0  0  0  0  0
    8.7820    1.0180    1.2230 H   0  0  0  0  0
    9.2200    3.3060    1.0430 H   0  0  0  0  0
    9.9850    2.8330   -0.5100 H   0  0  0  0  0
    7.9320    4.6250   -0.5070 H   0  0  0  0  0
    8.0020    3.3570   -1.7760 H   0  0  0  0  0
    6.4040    3.3520    0.8430 H   0  0  0  0  0
    5.8330    2.9470   -0.8040 H   0  0  0  0  0
   -3.3470   -4.6700    1.0790 H   0  0  0  0  0
   -4.1080   -4.8450   -0.5200 H   0  0  0  0  0
   -2.3350   -4.8860   -0.3680 H   0  0  0  0  0
   -4.1230    1.0800   -1.2710 H   0  0  0  0  0
   -5.5470    0.0110   -1.2580 H   0  0  0  0  0
   -5.6250    0.1450    1.2160 H   0  0  0  0  0
   -4.2020    1.2140    1.2040 H   0  0  0  0  0
   -4.3680    3.4930    0.3850 H   0  0  0  0  0
   -5.8320    5.4390    0.0190 H   0  0  0  0  0
   -8.2690    5.1310   -0.1490 H   0  0  0  0  0
   -9.2410    2.8760    0.0430 H   0  0  0  0  0
    2.2070    0.4200   -0.1560 H   0  0  0  0  0
   -0.0580   -4.0010    0.2240 CL  0  0  0  0  0
  1 31  1  0  0  0
  2 26  1  0  0  0
  3 32  1  0  0  0
  4  3  1  0  0  0
  4  5  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8 29  2  0  0  0
  8 30  1  0  0  0
  9 30  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 41  1  0  0  0
 11 42  1  0  0  0
 12 11  1  0  0  0
 12 43  1  0  0  0
 12 44  1  0  0  0
 13  4  2  0  0  0
 13 57  1  0  0  0
 14  2  2  0  0  0
 14 13  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 15 47  1  0  0  0
 16 14  1  0  0  0
 17 16  2  0  0  0
 17 18  1  0  0  0
 18  2  1  0  0  0
 19 18  1  0  0  0
 19 20  1  0  0  0
 19 48  1  0  0  0
 19 49  1  0  0  0
 20 50  1  0  0  0
 20 51  1  0  0  0
 21 20  1  0  0  0
 21  1  2  0  0  0
 22 21  1  0  0  0
 22 52  1  0  0  0
 23 22  2  0  0  0
 23 24  1  0  0  0
 23 53  1  0  0  0
 24 25  2  0  0  0
 24 54  1  0  0  0
 25  1  1  0  0  0
 25 55  1  0  0  0
 26  3  2  0  0  0
 27  5  2  0  0  0
 28  6  1  0  0  0
 28 56  1  0  0  0
 30 12  1  0  0  0
M  END
$$$$
