00I
  CCTOOLS-1004241119

 77 80  0  0  1  0  0  0  0  0999 V2000
    0.2480   -0.3800   -0.0980 C   0  0  0  0  0
   -0.2830   -2.5800   -0.9720 N   0  0  0  0  0
   -0.3150    0.0400   -1.0870 O   0  0  0  0  0
   -1.6380   -3.4900   -0.6900 S   0  0  0  0  0
   -3.7270   -1.8270   -1.1230 C   0  0  0  0  0
    0.7690    0.4830    0.7970 N   0  0  0  0  0
   -1.3030    1.7360    1.8720 O   0  0  0  0  0
   -2.9130   -2.3850   -0.1850 C   0  0  0  0  0
   -1.1530    3.6060    0.6880 N   0  0  0  0  0
   -3.0750   -2.0950    1.1690 C   0  0  0  0  0
   -4.0500   -1.2470    1.5920 C   0  0  0  0  0
   -5.9280    0.2310    1.0520 C   0  0  0  0  0
   -6.7420    0.7890    0.1140 C   0  0  0  0  0
   -6.5800    0.5000   -1.2390 C   0  0  0  0  0
   -5.6010   -0.3450   -1.6630 C   0  0  0  0  0
   -4.7460   -0.9450   -0.7240 C   0  0  0  0  0
    0.3620   -1.8650    0.1310 C   0  0  0  0  0
    1.8380   -2.2590    0.2010 C   0  0  0  0  0
    3.4050   -4.1120    0.7110 C   0  0  0  0  0
    6.8470    1.1320   -0.9840 C   0  0  0  0  0
    1.9540   -3.7490    0.5280 C   0  0  0  0  0
    5.5460    1.5210   -0.3930 C   0  0  0  0  0
   -4.9100   -0.6510    0.6530 C   0  0  0  0  0
   -2.0370   -4.0170   -1.9480 O   0  0  0  0  0
   -0.6690    2.4150    1.0920 C   0  0  0  0  0
   -2.3860    4.1500    1.2720 C   0  0  0  0  0
   -1.3450   -4.3060    0.4360 O   0  0  0  0  0
   -3.3570    4.4990    0.1400 C   0  0  0  0  0
   -2.6640    5.4370   -0.8510 C   0  0  0  0  0
   -1.4470    4.7330   -1.4570 C   0  0  0  0  0
   -0.4550    4.3870   -0.3420 C   0  0  0  0  0
    0.6590    1.9260    0.5740 C   0  0  0  0  0
    1.7900    2.6440    1.3130 C   0  0  0  0  0
    3.6420    2.9820   -0.3360 C   0  0  0  0  0
    3.7930    1.1490    1.2050 C   0  0  0  0  0
    4.8540    2.6250   -0.8900 C   0  0  0  0  0
    4.2590   -3.2660    0.5930 O   0  0  0  0  0
    5.0060    0.7810    0.6580 C   0  0  0  0  0
    3.1140    2.2480    0.7110 C   0  0  0  0  0
    7.3470    1.8210   -1.9690 N   0  0  0  0  0
    7.5290    0.0410   -0.4910 N   0  0  0  0  0
    0.0830   -2.5210   -1.8690 H   0  0  0  0  0
   -3.5870   -2.0570   -2.1690 H   0  0  0  0  0
    1.2160    0.1470    1.5900 H   0  0  0  0  0
   -2.4160   -2.5520    1.8920 H   0  0  0  0  0
   -4.1640   -1.0320    2.6450 H   0  0  0  0  0
   -6.0650    0.4650    2.0980 H   0  0  0  0  0
   -7.5240    1.4660    0.4240 H   0  0  0  0  0
   -7.2390    0.9560   -1.9630 H   0  0  0  0  0
   -5.4880   -0.5610   -2.7160 H   0  0  0  0  0
   -0.1290   -2.1260    1.0690 H   0  0  0  0  0
    2.3130   -2.0600   -0.7600 H   0  0  0  0  0
    2.3330   -1.6770    0.9780 H   0  0  0  0  0
    3.7480   -5.3760    1.0060 O   0  0  0  0  0
    1.4060   -3.9630    1.4460 H   0  0  0  0  0
    1.5330   -4.3340   -0.2900 H   0  0  0  0  0
   -2.8400    3.4060    1.9260 H   0  0  0  0  0
   -2.1540    5.0490    1.8440 H   0  0  0  0  0
   -3.6590    3.5870   -0.3740 H   0  0  0  0  0
   -4.2370    4.9920    0.5530 H   0  0  0  0  0
   -3.3600    5.7070   -1.6450 H   0  0  0  0  0
   -2.3400    6.3390   -0.3310 H   0  0  0  0  0
   -1.7670    3.8190   -1.9560 H   0  0  0  0  0
   -0.9680    5.3930   -2.1800 H   0  0  0  0  0
   -0.0690    5.3070    0.0970 H   0  0  0  0  0
    0.3690    3.8010   -0.7500 H   0  0  0  0  0
    0.7320    2.1350   -0.4930 H   0  0  0  0  0
    1.6570    3.7220    1.2210 H   0  0  0  0  0
    1.7710    2.3640    2.3660 H   0  0  0  0  0
    3.1050    3.8370   -0.7190 H   0  0  0  0  0
    3.3740    0.5770    2.0190 H   0  0  0  0  0
    5.2660    3.1990   -1.7070 H   0  0  0  0  0
    5.5350   -0.0780    1.0440 H   0  0  0  0  0
    6.8670    2.5900   -2.3160 H   0  0  0  0  0
    8.3820   -0.2140   -0.8780 H   0  0  0  0  0
    7.1570   -0.4720    0.2430 H   0  0  0  0  0
    4.6910   -5.5610    1.1150 H   0  0  0  0  0
  1 17  1  0  0  0
  1  3  2  0  0  0
  2  4  1  0  0  0
  2 42  1  0  0  0
  4  8  1  0  0  0
  4 27  2  0  0  0
  5 16  1  0  0  0
  5 43  1  0  0  0
  6  1  1  0  0  0
  6 44  1  0  0  0
  7 25  2  0  0  0
  8  5  2  0  0  0
  9 31  1  0  0  0
 10  8  1  0  0  0
 10 11  2  0  0  0
 10 45  1  0  0  0
 11 23  1  0  0  0
 11 46  1  0  0  0
 12 13  1  0  0  0
 12 47  1  0  0  0
 13 14  2  0  0  0
 13 48  1  0  0  0
 14 49  1  0  0  0
 15 14  1  0  0  0
 15 50  1  0  0  0
 16 15  2  0  0  0
 17  2  1  0  0  0
 17 51  1  0  0  0
 18 17  1  0  0  0
 18 52  1  0  0  0
 18 53  1  0  0  0
 19 21  1  0  0  0
 19 37  2  0  0  0
 19 54  1  0  0  0
 20 40  2  0  0  0
 20 41  1  0  0  0
 21 18  1  0  0  0
 21 55  1  0  0  0
 21 56  1  0  0  0
 22 20  1  0  0  0
 23 12  2  0  0  0
 23 16  1  0  0  0
 24  4  2  0  0  0
 25  9  1  0  0  0
 25 32  1  0  0  0
 26  9  1  0  0  0
 26 28  1  0  0  0
 26 57  1  0  0  0
 26 58  1  0  0  0
 28 29  1  0  0  0
 28 59  1  0  0  0
 28 60  1  0  0  0
 29 30  1  0  0  0
 29 61  1  0  0  0
 29 62  1  0  0  0
 30 63  1  0  0  0
 30 64  1  0  0  0
 31 30  1  0  0  0
 31 65  1  0  0  0
 31 66  1  0  0  0
 32  6  1  0  0  0
 32 67  1  0  0  0
 33 32  1  0  0  0
 33 39  1  0  0  0
 33 68  1  0  0  0
 33 69  1  0  0  0
 34 36  1  0  0  0
 34 70  1  0  0  0
 35 38  2  0  0  0
 35 71  1  0  0  0
 36 22  2  0  0  0
 36 72  1  0  0  0
 38 22  1  0  0  0
 38 73  1  0  0  0
 39 34  2  0  0  0
 39 35  1  0  0  0
 40 74  1  0  0  0
 41 75  1  0  0  0
 41 76  1  0  0  0
 54 77  1  0  0  0
M  END
$$$$
