A1JMY
  CCTOOLS-0116261006

 50 52  0  0  1  0  0  0  0  0999 V2000
   10.3530   -1.4890    0.9890 C   0  0  0  0  0
    9.2250   -1.4990   -0.0450 C   0  0  0  0  0
    8.0450   -0.8340    0.5130 N   0  0  0  0  0
    6.9230   -0.7230   -0.2240 C   0  0  0  0  0
    4.6160    0.0090   -0.5110 C   0  0  0  0  0
    3.5440    0.7390    0.2990 C   0  0  0  0  0
    0.8990    1.7650    0.4200 C   0  0  0  0  0
   -0.4450    1.9720   -0.2810 C   0  0  0  0  0
   -2.5060    0.9190   -0.3680 C   0  0  0  0  0
   -2.6150    1.9010    0.8260 C   0  0  0  0  0
   -1.3790    2.8090    0.6140 C   0  0  0  0  0
   -2.6230   -1.4710    0.4330 C   0  0  0  0  0
   -4.7320   -1.9160    0.1910 C   0  0  0  0  0
   -6.0320   -2.4450    0.1270 C   0  0  0  0  0
   -6.7730   -0.4290   -0.7190 C   0  0  0  0  0
   -4.5320   -0.5920   -0.2340 C   0  0  0  0  0
   -3.1940   -0.3380   -0.0660 N   0  0  0  0  0
   -3.5260   -2.3970    0.5800 N   0  0  0  0  0
   -7.0090   -1.6690   -0.3310 N   0  0  0  0  0
   -5.5730    0.1090   -0.6730 N   0  0  0  0  0
   -6.2900   -3.7430    0.5310 N   0  0  0  0  0
    5.8370   -0.1110    0.2900 N   0  0  0  0  0
   -1.0840    0.7020   -0.4970 O   0  0  0  0  0
   -3.8240    2.6600    0.7540 O   0  0  0  0  0
   -1.7550    4.0180   -0.0490 O   0  0  0  0  0
    6.8890   -1.1760   -1.3520 O   0  0  0  0  0
    2.0320    0.8880   -0.6920 S   0  0  0  0  0
   10.6030   -0.4590    1.2440 H   0  0  0  0  0
   10.0290   -2.0160    1.8860 H   0  0  0  0  0
   11.2310   -1.9840    0.5740 H   0  0  0  0  0
    9.5500   -0.9710   -0.9420 H   0  0  0  0  0
    8.9750   -2.5290   -0.2990 H   0  0  0  0  0
    8.0730   -0.4720    1.4130 H   0  0  0  0  0
    4.2570   -0.9850   -0.7770 H   0  0  0  0  0
    4.8320    0.5720   -1.4190 H   0  0  0  0  0
    3.3290    0.1760    1.2070 H   0  0  0  0  0
    3.9030    1.7330    0.5650 H   0  0  0  0  0
    1.3240    2.7330    0.6830 H   0  0  0  0  0
    0.7500    1.1760    1.3250 H   0  0  0  0  0
   -0.2920    2.4760   -1.2350 H   0  0  0  0  0
   -2.9120    1.3700   -1.2740 H   0  0  0  0  0
   -2.5490    1.3690    1.7750 H   0  0  0  0  0
   -0.8990    3.0290    1.5670 H   0  0  0  0  0
   -1.5750   -1.5850    0.6680 H   0  0  0  0  0
   -7.5970    0.1680   -1.0820 H   0  0  0  0  0
   -5.5680   -4.3000    0.8640 H   0  0  0  0  0
   -7.1920   -4.0970    0.4830 H   0  0  0  0  0
    5.8640    0.2500    1.1890 H   0  0  0  0  0
   -3.9380    3.2890    1.4790 H   0  0  0  0  0
   -2.3890    4.5570    0.4450 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  4 26  2  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6 27  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8 23  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 17  1  0  0  0
  9 41  1  0  0  0
 10 24  1  0  0  0
 10 11  1  0  0  0
 10 42  1  0  0  0
 11 25  1  0  0  0
 11  8  1  0  0  0
 11 43  1  0  0  0
 12 18  2  0  0  0
 12 44  1  0  0  0
 13 14  1  0  0  0
 14 19  2  0  0  0
 14 21  1  0  0  0
 15 20  2  0  0  0
 15 45  1  0  0  0
 16 17  1  0  0  0
 16 13  2  0  0  0
 17 12  1  0  0  0
 18 13  1  0  0  0
 19 15  1  0  0  0
 20 16  1  0  0  0
 21 46  1  0  0  0
 21 47  1  0  0  0
 22  5  1  0  0  0
 22 48  1  0  0  0
 23  9  1  0  0  0
 24 49  1  0  0  0
 25 50  1  0  0  0
 27  7  1  0  0  0
M  END
$$$$
