5A8
  CCTOOLS-0919241035

 61 65  0  0  1  0  0  0  0  0999 V2000
    6.3350    3.2460   -0.1640 C   0  0  0  0  0
    4.5530    1.7960   -0.0910 C   0  0  0  0  0
    3.6810    2.8730   -0.3170 C   0  0  0  0  0
    4.2350    4.1540   -0.4730 C   0  0  0  0  0
    3.7600    0.6760    0.0120 N   0  0  0  0  0
   -7.2840    0.5280    0.3610 C   0  0  0  0  0
   -7.1290    0.7250    1.7350 C   0  0  0  0  0
   -8.0940    0.2850    2.5960 C   0  0  0  0  0
   -9.2290   -0.3550    2.1170 C   0  0  0  0  0
   -9.4020   -0.5600    0.7660 C   0  0  0  0  0
   -8.4320   -0.1210   -0.1300 C   0  0  0  0  0
   -8.3140   -0.1740   -1.5000 N   0  0  0  0  0
   -7.1410    0.4140   -1.8890 C   0  0  0  0  0
   -6.4700    0.8540   -0.8120 C   0  0  0  0  0
   -5.1380    1.5570   -0.8120 C   0  0  0  0  0
   -4.0230    0.5370   -0.5750 C   0  0  0  0  0
   -2.7270    1.2200   -0.5740 N   0  0  0  0  0
   -1.5940    0.5170   -0.3830 C   0  0  0  0  0
   -1.6460   -0.6830   -0.2100 O   0  0  0  0  0
   -0.2610    1.2200   -0.3820 C   0  0  0  0  0
    1.0580    0.0130   -0.1020 S   0  0  0  0  0
    2.4620    1.0770   -0.1490 C   0  0  0  0  0
    2.4200    2.3730   -0.3420 N   0  0  0  0  0
    3.4240    5.2540   -0.7030 N   0  0  0  0  0
    5.5540    4.2880   -0.3840 N   0  0  0  0  0
    5.8600    2.0260   -0.0230 N   0  0  0  0  0
    4.2220   -0.6950    0.2480 C   0  0  0  0  0
    3.4540   -1.6320   -0.5380 O   0  0  0  0  0
    3.9310   -1.1240    1.7090 C   0  0  0  0  0
    4.9910   -0.7220    2.5790 O   0  0  0  0  0
    3.8700   -2.6660    1.5870 C   0  0  0  0  0
    5.1200   -3.2470    1.9650 O   0  0  0  0  0
    3.5880   -2.9170    0.0930 C   0  0  0  0  0
    2.2910   -3.7120   -0.0650 C   0  0  0  0  0
    2.0850   -4.0330   -1.4800 N   0  0  0  0  0
    2.0200   -5.1060   -1.8090 N   0  3  0  0  0
    1.9560   -6.1790   -2.1380 N   0  5  0  0  0
    7.4020    3.3990   -0.1040 H   0  0  0  0  0
   -6.2490    1.2220    2.1150 H   0  0  0  0  0
   -7.9740    0.4380    3.6590 H   0  0  0  0  0
   -9.9830   -0.6970    2.8100 H   0  0  0  0  0
  -10.2880   -1.0600    0.4030 H   0  0  0  0  0
   -8.9650   -0.5690   -2.1010 H   0  0  0  0  0
   -6.8030    0.5080   -2.9110 H   0  0  0  0  0
   -4.9840    2.0460   -1.7740 H   0  0  0  0  0
   -5.1210    2.3040   -0.0180 H   0  0  0  0  0
   -4.1760    0.0480    0.3870 H   0  0  0  0  0
   -4.0390   -0.2100   -1.3690 H   0  0  0  0  0
   -2.6850    2.1800   -0.7120 H   0  0  0  0  0
   -0.1080    1.7090   -1.3440 H   0  0  0  0  0
   -0.2450    1.9670    0.4120 H   0  0  0  0  0
    3.8190    6.1350   -0.8010 H   0  0  0  0  0
    2.4630    5.1430   -0.7660 H   0  0  0  0  0
    5.2850   -0.7840    0.0260 H   0  0  0  0  0
    2.9760   -0.7230    2.0490 H   0  0  0  0  0
    4.8540   -0.9690    3.5040 H   0  0  0  0  0
    3.0630   -3.0660    2.2020 H   0  0  0  0  0
    5.1380   -4.2120    1.9080 H   0  0  0  0  0
    4.4180   -3.4640   -0.3540 H   0  0  0  0  0
    2.3570   -4.6350    0.5110 H   0  0  0  0  0
    1.4530   -3.1160    0.2980 H   0  0  0  0  0
  1 26  2  0  0  0
  1 38  1  0  0  0
  2 26  1  0  0  0
  2  5  1  0  0  0
  3  2  2  0  0  0
  4 25  2  0  0  0
  4  3  1  0  0  0
  5 27  1  0  0  0
  6 11  1  0  0  0
  7  6  2  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  8  9  2  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
 10 42  1  0  0  0
 11 12  1  0  0  0
 11 10  2  0  0  0
 12 43  1  0  0  0
 13 12  1  0  0  0
 13 44  1  0  0  0
 14  6  1  0  0  0
 14 13  2  0  0  0
 15 16  1  0  0  0
 15 14  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 16 17  1  0  0  0
 16 47  1  0  0  0
 16 48  1  0  0  0
 17 18  1  0  0  0
 17 49  1  0  0  0
 18 20  1  0  0  0
 19 18  2  0  0  0
 20 21  1  0  0  0
 20 50  1  0  0  0
 20 51  1  0  0  0
 22 21  1  0  0  0
 22  5  1  0  0  0
 23  3  1  0  0  0
 23 22  2  0  0  0
 24  4  1  0  0  0
 24 52  1  0  0  0
 24 53  1  0  0  0
 25  1  1  0  0  0
 27 29  1  0  0  0
 27 54  1  0  0  0
 28 27  1  0  0  0
 28 33  1  0  0  0
 29 31  1  0  0  0
 29 30  1  0  0  0
 29 55  1  0  0  0
 30 56  1  0  0  0
 31 32  1  0  0  0
 31 57  1  0  0  0
 32 58  1  0  0  0
 33 31  1  0  0  0
 33 59  1  0  0  0
 34 35  1  0  0  0
 34 33  1  0  0  0
 34 60  1  0  0  0
 34 61  1  0  0  0
 36 35  2  0  0  0
 37 36  2  0  0  0
M  CHG  1  36   1
M  CHG  1  37  -1
M  END
$$$$
