A1J1J
  CCTOOLS-0828261229

 45 46  0  0  1  0  0  0  0  0999 V2000
    3.0120   -1.0700   -1.2900 N   0  0  0  0  0
    2.7730   -0.1840   -0.3330 C   0  0  0  0  0
    1.9710   -3.1320    0.4010 C   0  0  0  0  0
   -0.3570   -2.4860    1.0380 C   0  0  0  0  0
   -1.4750   -1.5110    0.7760 C   0  0  0  0  0
   -1.6100   -0.3860    1.5690 C   0  0  0  0  0
   -2.6340    0.5100    1.3320 C   0  0  0  0  0
   -3.5290    0.2810    0.2940 C   0  0  0  0  0
   -5.5080    0.9420   -1.0430 C   0  0  0  0  0
   -3.3900   -0.8500   -0.5010 C   0  0  0  0  0
   -2.3610   -1.7390   -0.2620 C   0  0  0  0  0
    4.5610    1.2010   -1.1820 C   0  0  0  0  0
    4.0270    3.0990    0.8890 O   0  0  0  0  0
    3.2820    1.9780    0.8160 C   0  0  0  0  0
    2.3960    1.7840    1.6240 O   0  0  0  0  0
    3.5430    0.9900   -0.2440 C   0  0  0  0  0
    4.7650    0.2420   -2.1580 C   0  0  0  0  0
    3.9660   -0.8880   -2.1810 C   0  0  0  0  0
    1.4850   -0.4790    0.8320 S   0  0  0  0  0
    0.8770   -2.0750    0.2330 C   0  0  0  0  0
   -4.5650    1.1850    0.0520 N   0  0  0  0  0
   -6.6250    0.0160   -0.5580 C   0  0  0  0  0
   -6.1100    2.2710   -1.5020 C   0  0  0  0  0
    1.6050   -4.0940    0.0400 H   0  0  0  0  0
    2.8500   -2.8390   -0.1730 H   0  0  0  0  0
    2.2360   -3.2170    1.4540 H   0  0  0  0  0
   -0.1150   -2.4840    2.1010 H   0  0  0  0  0
   -0.6700   -3.4860    0.7380 H   0  0  0  0  0
   -0.9140   -0.2090    2.3760 H   0  0  0  0  0
   -2.7390    1.3870    1.9520 H   0  0  0  0  0
   -4.9840    0.4730   -1.8760 H   0  0  0  0  0
   -4.0840   -1.0310   -1.3090 H   0  0  0  0  0
   -2.2500   -2.6150   -0.8830 H   0  0  0  0  0
    5.1720    2.0910   -1.1450 H   0  0  0  0  0
    3.8190    3.7180    1.6020 H   0  0  0  0  0
    5.5410    0.3740   -2.8970 H   0  0  0  0  0
    4.1270   -1.6350   -2.9440 H   0  0  0  0  0
    0.6130   -1.9910   -0.8210 H   0  0  0  0  0
   -4.6610    1.9740    0.6080 H   0  0  0  0  0
   -7.3270   -0.1650   -1.3730 H   0  0  0  0  0
   -6.1960   -0.9310   -0.2310 H   0  0  0  0  0
   -7.1490    0.4850    0.2750 H   0  0  0  0  0
   -6.6340    2.7400   -0.6690 H   0  0  0  0  0
   -5.3140    2.9310   -1.8480 H   0  0  0  0  0
   -6.8110    2.0900   -2.3170 H   0  0  0  0  0
  2  1  1  0  0  0
  2 19  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5 11  2  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8 21  1  0  0  0
  9 23  1  0  0  0
  9 22  1  0  0  0
  9 31  1  0  0  0
 10  8  2  0  0  0
 10 32  1  0  0  0
 11 10  1  0  0  0
 11 33  1  0  0  0
 12 17  2  0  0  0
 12 16  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 16  1  0  0  0
 15 14  2  0  0  0
 16  2  2  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 18  1  2  0  0  0
 18 37  1  0  0  0
 19 20  1  0  0  0
 20  3  1  0  0  0
 20  4  1  0  0  0
 20 38  1  0  0  0
 21  9  1  0  0  0
 21 39  1  0  0  0
 22 40  1  0  0  0
 22 41  1  0  0  0
 22 42  1  0  0  0
 23 43  1  0  0  0
 23 44  1  0  0  0
 23 45  1  0  0  0
M  END
$$$$
