Y4K
  CCTOOLS-0410261002

 42 43  0  0  1  0  0  0  0  0999 V2000
    0.4830    0.4520    0.0560 N   0  0  0  0  0
    2.7710   -0.0210    0.0090 C   0  0  0  0  0
   -0.8810    0.1560    0.0310 C   0  0  0  0  0
   -1.8170    1.1820   -0.0000 C   0  0  0  0  0
   -3.1650    0.8850   -0.0240 C   0  0  0  0  0
   -2.6560   -1.4570    0.0080 C   0  0  0  0  0
   -1.3060   -1.1670    0.0330 C   0  0  0  0  0
    5.1710   -0.6420    0.0740 C   0  0  0  0  0
    5.6620    0.2930   -0.8170 C   0  0  0  0  0
    6.9480    0.7780   -0.6730 C   0  0  0  0  0
    7.7440    0.3270    0.3640 C   0  0  0  0  0
   -5.4220   -2.1180   -0.5860 O   0  0  0  0  0
   -5.3060   -0.8070   -0.0490 S   0  0  0  0  0
   -5.9530    0.3250   -0.6140 O   0  0  0  0  0
   -5.8160   -0.9000    1.5240 N   0  0  0  0  0
   -3.5850   -0.4330   -0.0170 C   0  0  0  0  0
   -1.3690    2.5930   -0.0070 N   0  3  0  0  0
   -0.3590    2.9080   -0.6090 O   0  5  0  0  0
   -2.0110    3.4380    0.5900 O   0  0  0  0  0
    1.4030   -0.5540   -0.0280 N   0  0  0  0  0
    3.7710   -1.1760   -0.0870 C   0  0  0  0  0
    3.6370   -1.8530   -1.4530 C   0  0  0  0  0
    5.9670   -1.0930    1.1110 C   0  0  0  0  0
    7.2530   -0.6070    1.2560 C   0  0  0  0  0
    0.7780    1.3740    0.1280 H   0  0  0  0  0
    2.9200    0.6590   -0.8300 H   0  0  0  0  0
    2.9260    0.5160    0.9440 H   0  0  0  0  0
   -3.8930    1.6830   -0.0490 H   0  0  0  0  0
   -2.9870   -2.4850    0.0090 H   0  0  0  0  0
   -0.5810   -1.9670    0.0520 H   0  0  0  0  0
    5.0400    0.6450   -1.6280 H   0  0  0  0  0
    7.3320    1.5080   -1.3700 H   0  0  0  0  0
    8.7490    0.7060    0.4770 H   0  0  0  0  0
   -5.7870   -1.7490    1.9940 H   0  0  0  0  0
   -6.1440   -0.1070    1.9750 H   0  0  0  0  0
    1.2600   -1.2360    0.7010 H   0  0  0  0  0
    3.5650   -1.9010    0.7000 H   0  0  0  0  0
    2.6250   -2.2390   -1.5700 H   0  0  0  0  0
    3.8430   -1.1280   -2.2400 H   0  0  0  0  0
    4.3490   -2.6750   -1.5210 H   0  0  0  0  0
    5.5840   -1.8240    1.8070 H   0  0  0  0  0
    7.8750   -0.9600    2.0660 H   0  0  0  0  0
  1 20  1  0  0  0
  1 25  1  0  0  0
  2 21  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  1  1  0  0  0
  4  3  1  0  0  0
  4 17  1  0  0  0
  5  4  2  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  3  2  0  0  0
  7 30  1  0  0  0
  8 23  1  0  0  0
  9  8  2  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 32  1  0  0  0
 11 24  1  0  0  0
 11 33  1  0  0  0
 13 14  2  0  0  0
 13 12  2  0  0  0
 13 16  1  0  0  0
 15 13  1  0  0  0
 15 34  1  0  0  0
 15 35  1  0  0  0
 16  6  2  0  0  0
 16  5  1  0  0  0
 17 19  2  0  0  0
 18 17  1  0  0  0
 20  2  1  0  0  0
 20 36  1  0  0  0
 21 22  1  0  0  0
 21  8  1  0  0  0
 21 37  1  0  0  0
 22 38  1  0  0  0
 22 39  1  0  0  0
 22 40  1  0  0  0
 23 24  2  0  0  0
 23 41  1  0  0  0
 24 42  1  0  0  0
M  CHG  1  17   1
M  CHG  1  18  -1
M  END
$$$$
