A1EOM
  CCTOOLS-0410261002

 53 55  0  0  0  0  0  0  0  0999 V2000
   -1.2390    0.2170   -0.6910 N   0  0  0  0  0
   -2.3350    0.9000   -0.3810 C   0  0  0  0  0
   -3.6990   -1.0080   -1.0940 C   0  0  0  0  0
   -4.6920    1.0410   -0.2420 C   0  0  0  0  0
   -5.7700    3.1380    0.6340 C   0  0  0  0  0
   -3.3360    2.9640    0.4770 C   0  0  0  0  0
   -0.9020    2.7300    0.3000 C   0  0  0  0  0
    4.2580    0.9730    0.9620 C   0  0  0  0  0
    6.2030   -2.0190    0.6300 C   0  0  0  0  0
    4.7790    0.5130   -1.4690 C   0  0  0  0  0
    3.3870   -0.1050   -1.6350 C   0  0  0  0  0
    2.4120    0.5770   -0.6730 C   0  0  0  0  0
   -0.0410    0.7530   -0.5180 C   0  0  0  0  0
   -3.6950   -2.0140    0.0590 C   0  0  0  0  0
   -3.8330   -4.4500    0.3760 C   0  0  0  0  0
   -4.5890    2.4010    0.2970 C   0  0  0  0  0
   -2.1950    2.2080    0.1360 C   0  0  0  0  0
    2.8720    0.3490    0.7680 C   0  0  0  0  0
    5.1680    0.4280   -0.0550 N   0  0  0  0  0
    1.0730    0.0100   -0.8530 N   0  0  0  0  0
   -3.5790    0.3500   -0.5570 N   0  0  0  0  0
   -3.8150   -3.3720   -0.4780 N   0  0  0  0  0
   -3.7380   -4.2530    1.7330 N   0  0  0  0  0
   -3.9400   -5.6580   -0.1020 N   0  0  0  0  0
   -6.7070    3.7220    0.9010 N   0  0  0  0  0
    0.1300    1.9790   -0.0360 N   0  0  0  0  0
    6.9280    0.3480    1.6240 O   0  0  0  0  0
    7.4380   -0.1010   -0.7550 O   0  0  0  0  0
   -5.7860    0.5340   -0.4050 O   0  0  0  0  0
    6.6050   -0.2680    0.3850 S   0  0  0  0  0
   -2.8590   -1.2120   -1.7570 H   0  0  0  0  0
   -4.6320   -1.0970   -1.6500 H   0  0  0  0  0
   -3.2350    3.9630    0.8730 H   0  0  0  0  0
   -0.7550    3.7260    0.6920 H   0  0  0  0  0
    4.1900    2.0550    0.8510 H   0  0  0  0  0
    4.6340    0.7310    1.9560 H   0  0  0  0  0
    5.8160   -2.4370   -0.3000 H   0  0  0  0  0
    7.1020   -2.5600    0.9250 H   0  0  0  0  0
    5.4500   -2.1130    1.4120 H   0  0  0  0  0
    5.4970   -0.0340   -2.0790 H   0  0  0  0  0
    4.7560    1.5580   -1.7800 H   0  0  0  0  0
    3.0460    0.0380   -2.6610 H   0  0  0  0  0
    3.4340   -1.1710   -1.4130 H   0  0  0  0  0
    2.3850    1.6460   -0.8810 H   0  0  0  0  0
   -2.7620   -1.9250    0.6160 H   0  0  0  0  0
   -4.5350   -1.8100    0.7230 H   0  0  0  0  0
    2.9230   -0.7210    0.9690 H   0  0  0  0  0
    2.1640    0.8150    1.4540 H   0  0  0  0  0
    0.9690   -0.8870   -1.2070 H   0  0  0  0  0
   -3.8820   -3.5110   -1.4360 H   0  0  0  0  0
   -3.6580   -3.3540    2.0890 H   0  0  0  0  0
   -3.7510   -5.0130    2.3350 H   0  0  0  0  0
   -4.0060   -5.7960   -1.0600 H   0  0  0  0  0
  1  2  2  0  0  0
  2 17  1  0  0  0
  2 21  1  0  0  0
  3 21  1  0  0  0
  3 14  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4 16  1  0  0  0
  4 29  2  0  0  0
  5 25  3  0  0  0
  6 16  2  0  0  0
  6 33  1  0  0  0
  7 17  2  0  0  0
  7 34  1  0  0  0
  8 19  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 11 10  1  0  0  0
 11 42  1  0  0  0
 11 43  1  0  0  0
 12 11  1  0  0  0
 12 44  1  0  0  0
 13  1  1  0  0  0
 14 22  1  0  0  0
 14 45  1  0  0  0
 14 46  1  0  0  0
 15 22  1  0  0  0
 15 24  2  0  0  0
 16  5  1  0  0  0
 17  6  1  0  0  0
 18  8  1  0  0  0
 18 12  1  0  0  0
 18 47  1  0  0  0
 18 48  1  0  0  0
 19 30  1  0  0  0
 19 10  1  0  0  0
 20 12  1  0  0  0
 20 13  1  0  0  0
 20 49  1  0  0  0
 21  4  1  0  0  0
 22 50  1  0  0  0
 23 15  1  0  0  0
 23 51  1  0  0  0
 23 52  1  0  0  0
 24 53  1  0  0  0
 26 13  2  0  0  0
 26  7  1  0  0  0
 27 30  2  0  0  0
 30  9  1  0  0  0
 30 28  2  0  0  0
M  END
$$$$
