A1CLB
  CCTOOLS-0731261037

 44 47  0  0  0  0  0  0  0  0999 V2000
    2.1290    1.2370   -0.4090 N   0  0  0  0  0
   -3.1470   -2.5960   -0.1750 N   0  0  0  0  0
    2.2200    0.0910    0.1880 C   0  0  0  0  0
    3.2170    2.0250   -0.4240 C   0  0  0  0  0
    3.3740    3.3050   -1.0020 C   0  0  0  0  0
    4.5630    3.9620   -0.9170 C   0  0  0  0  0
    5.6450    3.3900   -0.2620 C   0  0  0  0  0
    4.3130    1.4560    0.2350 C   0  0  0  0  0
   -0.9490   -3.0100   -0.3300 C   0  0  0  0  0
   -3.2480   -0.1040   -0.0310 C   0  0  0  0  0
   -3.2860    2.1550    0.7830 C   0  0  0  0  0
   -4.4860    0.0980   -0.6390 C   0  0  0  0  0
   -2.4200   -5.0250   -0.3510 C   0  0  0  0  0
    2.3020   -4.4140    0.5080 O   0  0  0  0  0
    2.0050   -3.1770    0.0790 C   0  0  0  0  0
    1.3610   -2.1880    1.0170 C   0  0  0  0  0
    1.1340   -0.8850    0.2950 C   0  0  0  0  0
    5.5220    2.1430    0.3110 C   0  0  0  0  0
    3.8350   -0.1240    0.8500 S   0  0  0  0  0
   -0.0690   -0.6180   -0.2510 C   0  0  0  0  0
   -1.1230   -1.6440   -0.2440 C   0  0  0  0  0
   -2.1650   -3.5840   -0.2880 N   0  0  0  0  0
   -2.5680   -1.4160   -0.1450 C   0  0  0  0  0
   -2.6490    0.9350    0.6800 C   0  0  0  0  0
   -4.5180    2.3480    0.1810 C   0  0  0  0  0
   -5.1150    1.3210   -0.5300 C   0  0  0  0  0
   -5.3140    3.8850    0.3140 CL  0  0  0  0  0
    2.2540   -2.8560   -1.0590 O   0  0  0  0  0
    2.5430    3.7660   -1.5160 H   0  0  0  0  0
    4.6660    4.9390   -1.3650 H   0  0  0  0  0
    6.5820    3.9220   -0.2020 H   0  0  0  0  0
   -0.0040   -3.5260   -0.4160 H   0  0  0  0  0
   -2.8230    2.9600    1.3340 H   0  0  0  0  0
   -4.9530   -0.7020   -1.1950 H   0  0  0  0  0
   -2.5460   -5.3270   -1.3910 H   0  0  0  0  0
   -1.5780   -5.5630    0.0840 H   0  0  0  0  0
   -3.3280   -5.2580    0.2060 H   0  0  0  0  0
    2.7140   -5.0120   -0.1300 H   0  0  0  0  0
    0.4060   -2.5840    1.3620 H   0  0  0  0  0
    2.0150   -2.0210    1.8730 H   0  0  0  0  0
    6.3650    1.6990    0.8200 H   0  0  0  0  0
   -0.2580    0.3480   -0.6950 H   0  0  0  0  0
   -1.6880    0.7850    1.1500 H   0  0  0  0  0
   -6.0760    1.4770   -0.9980 H   0  0  0  0  0
  1  3  2  0  0  0
  2 22  1  0  0  0
  3 19  1  0  0  0
  3 17  1  0  0  0
  4  8  2  0  0  0
  4  1  1  0  0  0
  5  4  1  0  0  0
  5 29  1  0  0  0
  6  5  2  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7 18  2  0  0  0
  7 31  1  0  0  0
  8 19  1  0  0  0
  9 22  1  0  0  0
  9 32  1  0  0  0
 10 23  1  0  0  0
 11 24  2  0  0  0
 11 33  1  0  0  0
 12 10  2  0  0  0
 12 34  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 15 14  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 16  1  0  0  0
 18  8  1  0  0  0
 18 41  1  0  0  0
 20 17  2  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 21 23  1  0  0  0
 21  9  2  0  0  0
 22 13  1  0  0  0
 23  2  2  0  0  0
 24 10  1  0  0  0
 24 43  1  0  0  0
 25 26  2  0  0  0
 25 11  1  0  0  0
 26 12  1  0  0  0
 26 44  1  0  0  0
 27 25  1  0  0  0
 28 15  2  0  0  0
M  END
$$$$
