A1DA9
  CCTOOLS-0828261229

 57 62  0  0  0  0  0  0  0  0999 V2000
   -2.6330   -0.6680    0.5390 C   0  0  0  0  0
    0.7700    0.8480    0.3590 C   0  0  0  0  0
    2.9410    1.6380    0.1770 C   0  0  0  0  0
    5.1060    0.3600    0.0600 C   0  0  0  0  0
    7.7660   -1.7370   -1.7160 C   0  0  0  0  0
    8.0170   -2.9440   -1.1840 C   0  0  0  0  0
    5.0490    2.8380   -0.0120 C   0  0  0  0  0
    2.9920    4.0600    0.0990 C   0  0  0  0  0
   -6.1460   -1.0010   -0.7540 C   0  0  0  0  0
   -7.9790    0.6560   -1.1810 C   0  0  0  0  0
   -8.1600    2.1460   -0.8230 C   0  0  0  0  0
   -7.1870    2.3360    0.3710 C   0  0  0  0  0
   -6.0200    1.3990   -0.0260 C   0  0  0  0  0
   -4.8640   -1.3120   -0.0930 C   0  0  0  0  0
   -3.8310   -0.3710   -0.0870 C   0  0  0  0  0
   -0.3140   -0.1390    0.4620 C   0  0  0  0  0
    2.0700    0.5450    0.2740 C   0  0  0  0  0
    4.3630    1.6410    0.0750 C   0  0  0  0  0
    6.0610    0.1080   -0.9240 C   0  0  0  0  0
    6.7300   -1.1150   -0.8880 C   0  0  0  0  0
    6.4270   -2.0450    0.1260 C   0  0  0  0  0
    4.8640   -0.6100    1.0380 C   0  0  0  0  0
    4.3640    4.0430   -0.0010 C   0  0  0  0  0
    2.2690    2.8660    0.1880 C   0  0  0  0  0
   -2.4560   -1.8990    1.1620 C   0  0  0  0  0
   -3.4740   -2.8310    1.1640 C   0  0  0  0  0
   -4.6810   -2.5460    0.5440 C   0  0  0  0  0
   -6.6680    0.2380   -0.6630 N   0  0  0  0  0
   -1.5950    0.2720    0.5420 N   0  0  0  0  0
    7.2260   -3.1420   -0.0840 N   0  0  0  0  0
    5.5090   -1.7550    1.0410 N   0  0  0  0  0
   -6.7310   -1.8630   -1.3820 O   0  0  0  0  0
   -0.0540   -1.3280    0.4750 O   0  0  0  0  0
   -5.6790   -3.4660    0.5430 O   0  0  0  0  0
    0.5360    2.5870    0.3210 S   0  0  0  0  0
    8.2370   -1.3080   -2.5880 H   0  0  0  0  0
    8.7370   -3.6520   -1.5660 H   0  0  0  0  0
    6.1270    2.8350   -0.0900 H   0  0  0  0  0
    2.4680    5.0040    0.1060 H   0  0  0  0  0
   -8.7670    0.0640   -0.7160 H   0  0  0  0  0
   -8.0080    0.5260   -2.2630 H   0  0  0  0  0
   -7.8720    2.7820   -1.6600 H   0  0  0  0  0
   -9.1870    2.3480   -0.5200 H   0  0  0  0  0
   -6.8510    3.3710    0.4400 H   0  0  0  0  0
   -7.6470    2.0140    1.3050 H   0  0  0  0  0
   -5.3560    1.8980   -0.7320 H   0  0  0  0  0
   -5.4670    1.0860    0.8600 H   0  0  0  0  0
   -3.9670    0.5850   -0.5700 H   0  0  0  0  0
    2.4260   -0.4750    0.2810 H   0  0  0  0  0
    6.2750    0.8370   -1.6920 H   0  0  0  0  0
    4.1290   -0.4160    1.8050 H   0  0  0  0  0
    4.9090    4.9720   -0.0700 H   0  0  0  0  0
   -1.5180   -2.1270    1.6460 H   0  0  0  0  0
   -3.3290   -3.7860    1.6490 H   0  0  0  0  0
   -1.7970    1.2190    0.6010 H   0  0  0  0  0
    7.2300   -3.9410    0.4660 H   0  0  0  0  0
   -5.6530   -4.0740   -0.2090 H   0  0  0  0  0
  1 25  1  0  0  0
  1 29  1  0  0  0
  2 17  2  0  0  0
  2 35  1  0  0  0
  3 18  2  0  0  0
  3 24  1  0  0  0
  4 18  1  0  0  0
  5 20  1  0  0  0
  5 36  1  0  0  0
  6 30  1  0  0  0
  6  5  2  0  0  0
  6 37  1  0  0  0
  7 23  2  0  0  0
  7 38  1  0  0  0
  8 23  1  0  0  0
  8 39  1  0  0  0
  9 32  2  0  0  0
  9 14  1  0  0  0
 10 28  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11 10  1  0  0  0
 11 42  1  0  0  0
 11 43  1  0  0  0
 12 13  1  0  0  0
 12 44  1  0  0  0
 12 45  1  0  0  0
 13 28  1  0  0  0
 13 46  1  0  0  0
 13 47  1  0  0  0
 14 27  2  0  0  0
 14 15  1  0  0  0
 15  1  2  0  0  0
 15 48  1  0  0  0
 16  2  1  0  0  0
 17  3  1  0  0  0
 17 49  1  0  0  0
 18  7  1  0  0  0
 19  4  2  0  0  0
 19 50  1  0  0  0
 20 19  1  0  0  0
 21 20  2  0  0  0
 21 31  1  0  0  0
 22  4  1  0  0  0
 22 51  1  0  0  0
 23 52  1  0  0  0
 24  8  2  0  0  0
 25 53  1  0  0  0
 26 25  2  0  0  0
 26 54  1  0  0  0
 27 26  1  0  0  0
 28  9  1  0  0  0
 29 16  1  0  0  0
 29 55  1  0  0  0
 30 21  1  0  0  0
 30 56  1  0  0  0
 31 22  2  0  0  0
 33 16  2  0  0  0
 34 27  1  0  0  0
 34 57  1  0  0  0
 35 24  1  0  0  0
M  END
$$$$
