A1I4B
  CCTOOLS-0619261019

 45 49  0  0  0  0  0  0  0  0999 V2000
   -0.4700    4.4210    0.3380 C   0  0  0  0  0
    0.0160    3.0100    0.1340 C   0  0  0  0  0
    1.3670    2.7270    0.0320 C   0  0  0  0  0
    2.3740    3.8390    0.1200 C   0  0  0  0  0
    3.7520    3.2820    0.4790 C   0  0  0  0  0
    4.0850    2.1280   -0.4750 C   0  0  0  0  0
    3.0990    1.0610   -0.2580 N   0  0  0  0  0
    3.5020   -0.2610   -0.1570 C   0  0  0  0  0
    2.7130   -1.2710    0.0340 N   0  0  0  0  0
    3.3100   -2.4670    0.1000 C   0  0  0  0  0
    4.6510   -2.4430   -0.0430 C   0  0  0  0  0
    5.1640   -0.8290   -0.2760 S   0  0  0  0  0
    2.5600   -3.7130    0.3130 C   0  0  0  0  0
    1.2190   -3.6780    0.4500 O   0  0  0  0  0
    3.1480   -4.7760    0.3660 O   0  0  0  0  0
    1.7490    1.4020   -0.1540 C   0  0  0  0  0
    0.8260    0.4550   -0.2310 N   0  0  0  0  0
   -0.4270    0.7150   -0.1370 N   0  0  0  0  0
   -0.8810    1.9440    0.0480 C   0  0  0  0  0
   -2.2530    2.1750    0.1520 N   0  0  0  0  0
   -3.1390    1.1190    0.0670 C   0  0  0  0  0
   -4.4210    1.2250    0.1500 N   0  0  0  0  0
   -5.1560    0.1000    0.0470 C   0  0  0  0  0
   -6.5570   -0.0480    0.1040 C   0  0  0  0  0
   -7.1310   -1.2880   -0.0210 C   0  0  0  0  0
   -6.3440   -2.4150   -0.2070 C   0  0  0  0  0
   -4.9730   -2.2950   -0.2660 C   0  0  0  0  0
   -4.3740   -1.0440   -0.1400 C   0  0  0  0  0
   -2.6800   -0.5600   -0.1780 S   0  0  0  0  0
   -0.6360    4.8910   -0.6310 H   0  0  0  0  0
   -1.4030    4.4070    0.9000 H   0  0  0  0  0
    0.2800    4.9870    0.8920 H   0  0  0  0  0
    2.4300    4.3510   -0.8400 H   0  0  0  0  0
    2.0610    4.5480    0.8860 H   0  0  0  0  0
    4.5010    4.0680    0.3770 H   0  0  0  0  0
    3.7420    2.9160    1.5050 H   0  0  0  0  0
    4.0300    2.4760   -1.5070 H   0  0  0  0  0
    5.0870    1.7530   -0.2650 H   0  0  0  0  0
    5.2980   -3.3070   -0.0170 H   0  0  0  0  0
    0.7690   -4.5230    0.5890 H   0  0  0  0  0
   -2.5840    3.0770    0.2840 H   0  0  0  0  0
   -7.1830    0.8200    0.2480 H   0  0  0  0  0
   -8.2060   -1.3880    0.0250 H   0  0  0  0  0
   -6.8060   -3.3860   -0.3040 H   0  0  0  0  0
   -4.3610   -3.1730   -0.4100 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 19  2  0  0  0
  3  4  1  0  0  0
  3 16  2  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 16  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 13  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 13 14  1  0  0  0
 13 15  2  0  0  0
 14 40  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 21 22  2  0  0  0
 21 29  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 28  2  0  0  0
 24 25  2  0  0  0
 24 42  1  0  0  0
 25 26  1  0  0  0
 25 43  1  0  0  0
 26 27  2  0  0  0
 26 44  1  0  0  0
 27 28  1  0  0  0
 27 45  1  0  0  0
 28 29  1  0  0  0
M  END
$$$$
