8V8
  CCTOOLS-0919241035

 26 27  0  0  0  0  0  0  0  0999 V2000
    0.2350    1.3250   -0.0290 C   0  0  0  0  0
    0.3720   -1.0850   -0.0530 C   0  0  0  0  0
   -1.0060   -1.1560   -0.0640 C   0  0  0  0  0
   -1.1420    1.2400   -0.0520 C   0  0  0  0  0
    1.0030    0.1600   -0.0290 C   0  0  0  0  0
    2.4790    0.2430   -0.0050 C   0  0  0  0  0
    3.2240    1.3780    0.0250 C   0  0  0  0  0
    4.5150    1.0120    0.0450 N   0  0  0  0  0
    4.5850   -0.2900    0.0290 C   0  0  0  0  0
    3.3440   -0.7940   -0.0020 O   0  0  0  0  0
    5.8570   -1.0970    0.0430 C   0  0  0  0  0
   -1.7620    0.0030   -0.0690 C   0  0  0  0  0
   -3.5210   -0.0970   -0.0850 S   0  0  0  0  0
   -3.9870    1.1290   -0.6320 O   0  0  0  0  0
   -3.8460   -1.3670   -0.6330 O   0  0  0  0  0
   -4.0240   -0.1260    1.4930 N   0  0  0  0  0
    0.7170    2.2910   -0.0160 H   0  0  0  0  0
    0.9600   -1.9900   -0.0490 H   0  0  0  0  0
   -1.4960   -2.1190   -0.0680 H   0  0  0  0  0
   -1.7370    2.1410   -0.0570 H   0  0  0  0  0
    2.8480    2.3900    0.0300 H   0  0  0  0  0
    6.1440   -1.3060    1.0730 H   0  0  0  0  0
    5.6980   -2.0360   -0.4870 H   0  0  0  0  0
    6.6510   -0.5340   -0.4480 H   0  0  0  0  0
   -4.8870    0.2460    1.7340 H   0  0  0  0  0
   -3.4550   -0.5140    2.1760 H   0  0  0  0  0
  1  4  2  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3 12  2  0  0  0
  3 19  1  0  0  0
  4 12  1  0  0  0
  4 20  1  0  0  0
  5  2  2  0  0  0
  5  1  1  0  0  0
  6 10  1  0  0  0
  6  5  1  0  0  0
  7  6  2  0  0  0
  7 21  1  0  0  0
  8  7  1  0  0  0
  8  9  2  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 11 22  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 15 13  2  0  0  0
 16 13  1  0  0  0
 16 25  1  0  0  0
 16 26  1  0  0  0
M  END
$$$$
