EQ7
  CCTOOLS-0410261002

 46 48  0  0  0  0  0  0  0  0999 V2000
    0.7750    2.3860    0.2880 C   0  0  0  0  0
    1.3690    4.7450   -0.1920 C   0  0  0  0  0
    0.4130    4.8150   -1.3850 C   0  0  0  0  0
   -2.3400    0.1260    0.3970 C   0  0  0  0  0
   -2.1640   -0.9200   -0.4990 C   0  0  0  0  0
   -3.2450   -1.4180   -1.1990 C   0  0  0  0  0
   -3.6050    0.6660    0.5910 C   0  0  0  0  0
    1.4600   -3.1880    0.4970 C   0  0  0  0  0
    2.6040   -3.7860    0.0110 C   0  0  0  0  0
    3.6800   -3.0180   -0.4110 C   0  0  0  0  0
    3.6180   -1.6430   -0.3510 C   0  0  0  0  0
    2.4670   -1.0250    0.1380 C   0  0  0  0  0
    2.3620    0.4460    0.2130 C   0  0  0  0  0
    1.0260    1.0070    0.4630 C   0  0  0  0  0
    1.9080    3.3200   -0.0530 C   0  0  0  0  0
    2.5340    5.7120   -0.4150 C   0  0  0  0  0
    0.0050    0.1370    0.8780 C   0  0  0  0  0
    1.3780   -1.8000    0.5670 C   0  0  0  0  0
   -4.5040   -0.8750   -1.0080 C   0  0  0  0  0
   -4.6840    0.1630   -0.1120 C   0  0  0  0  0
    0.2400   -1.1860    1.0570 N   0  0  0  0  0
   -1.2450    0.6330    1.1080 N   0  0  0  0  0
    4.7670   -0.8260   -0.8010 N   0  3  0  0  0
    3.3390    1.1620    0.0760 O   0  0  0  0  0
   -0.3530    2.8180    0.4080 O   0  0  0  0  0
    4.5820    0.1440   -1.5160 O   0  0  0  0  0
    5.8970   -1.1230   -0.4580 O   0  5  0  0  0
    0.1210   -4.1650    1.0140 CL  0  0  0  0  0
   -5.8610   -1.5040   -1.8900 CL  0  0  0  0  0
   -3.8320    1.9690    1.7160 CL  0  0  0  0  0
    0.8350    5.0230    0.7170 H   0  0  0  0  0
    0.9460    4.5380   -2.2950 H   0  0  0  0  0
   -0.4170    4.1260   -1.2260 H   0  0  0  0  0
    0.0290    5.8300   -1.4850 H   0  0  0  0  0
   -1.1810   -1.3440   -0.6490 H   0  0  0  0  0
   -3.1080   -2.2310   -1.8960 H   0  0  0  0  0
    2.6630   -4.8630   -0.0420 H   0  0  0  0  0
    4.5690   -3.5000   -0.7880 H   0  0  0  0  0
    2.6550    3.2900    0.7400 H   0  0  0  0  0
    2.3630    3.0110   -0.9940 H   0  0  0  0  0
    2.1500    6.7270   -0.5150 H   0  0  0  0  0
    3.2140    5.6620    0.4340 H   0  0  0  0  0
    3.0670    5.4340   -1.3250 H   0  0  0  0  0
   -5.6680    0.5850    0.0350 H   0  0  0  0  0
   -1.3760    1.3360    1.7630 H   0  0  0  0  0
   -0.4090   -1.7170    1.5420 H   0  0  0  0  0
  1 25  2  0  0  0
  1 15  1  0  0  0
  2 16  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4 22  1  0  0  0
  5  4  1  0  0  0
  5 35  1  0  0  0
  6  5  2  0  0  0
  6 36  1  0  0  0
  7 30  1  0  0  0
  7  4  2  0  0  0
  8 18  1  0  0  0
  9 10  1  0  0  0
  9  8  2  0  0  0
  9 37  1  0  0  0
 10 11  2  0  0  0
 10 38  1  0  0  0
 11 23  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 24  2  0  0  0
 13 14  1  0  0  0
 14  1  1  0  0  0
 15  2  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 16 43  1  0  0  0
 17 22  1  0  0  0
 17 14  2  0  0  0
 18 21  1  0  0  0
 18 12  2  0  0  0
 19 20  2  0  0  0
 19  6  1  0  0  0
 20  7  1  0  0  0
 20 44  1  0  0  0
 21 17  1  0  0  0
 21 46  1  0  0  0
 22 45  1  0  0  0
 23 26  2  0  0  0
 27 23  1  0  0  0
 28  8  1  0  0  0
 29 19  1  0  0  0
M  CHG  1  23   1
M  CHG  1  27  -1
M  END
$$$$
