LSH
  CCTOOLS-0717261001

 42 44  0  0  1  0  0  0  0  0999 V2000
    3.9340   -1.8120   -0.2520 P   0  0  0  0  0
    4.7870   -1.6150    0.9410 O   0  0  0  0  0
    3.2780   -3.2820   -0.2060 O   0  0  0  0  0
    2.7670   -0.7040   -0.2670 O   0  0  0  0  0
    1.8670   -0.5070    0.8260 C   0  0  0  0  0
    0.8890    0.6190    0.4850 C   0  0  0  0  0
    1.6330    1.9080    0.0980 C   0  0  0  0  0
    0.4110    3.1210   -0.4930 S   0  0  0  0  0
    0.8940    4.4460   -0.3220 O   0  0  0  0  0
   -0.1630    2.6980   -1.7220 O   0  0  0  0  0
   -0.8260    2.9800    0.6150 N   0  0  0  0  0
   -1.2440    1.6030    0.9670 C   0  0  0  0  0
   -1.2970    0.8100   -0.3610 C   0  0  0  0  0
    0.0200    0.2460   -0.5940 O   0  0  0  0  0
   -2.2840   -0.2680   -0.2570 N   0  0  0  0  0
   -3.5770   -0.0160   -0.5320 C   0  0  0  0  0
   -3.9120    1.1050   -0.8630 O   0  0  0  0  0
   -4.5040   -0.9880   -0.4450 N   0  0  0  0  0
   -4.1480   -2.2360   -0.0800 C   0  0  0  0  0
   -4.9860   -3.1160   -0.0020 O   0  0  0  0  0
   -2.7910   -2.5140    0.2120 C   0  0  0  0  0
   -2.3670   -3.9010    0.6230 C   0  0  0  0  0
   -1.8810   -1.5220    0.1120 C   0  0  0  0  0
   -0.0470    0.9340    1.6760 C   0  0  0  0  0
    0.5600    1.8680    2.5720 O   0  0  0  0  0
    2.7050   -3.4810   -0.9600 H   0  0  0  0  0
    1.3130   -1.4270    1.0100 H   0  0  0  0  0
    2.4330   -0.2380    1.7180 H   0  0  0  0  0
    2.1540    2.3070    0.9690 H   0  0  0  0  0
    2.3510    1.6950   -0.6940 H   0  0  0  0  0
   -1.2490    3.7590    1.0100 H   0  0  0  0  0
   -2.1740    1.5650    1.5330 H   0  0  0  0  0
   -1.5640    1.4780   -1.1800 H   0  0  0  0  0
   -5.4320   -0.7900   -0.6470 H   0  0  0  0  0
   -3.2370   -4.5570    0.6410 H   0  0  0  0  0
   -1.6380   -4.2850   -0.0910 H   0  0  0  0  0
   -1.9190   -3.8650    1.6160 H   0  0  0  0  0
   -0.8400   -1.7170    0.3260 H   0  0  0  0  0
   -0.3350    0.0230    2.2000 H   0  0  0  0  0
    0.0110    2.0960    3.3350 H   0  0  0  0  0
    4.8300   -1.6660   -1.5820 O   0  0  0  0  0
    5.5540   -2.3040   -1.6410 H   0  0  0  0  0
  1  3  1  0  0  0
  1 41  1  0  0  0
  2  1  2  0  0  0
  3 26  1  0  0  0
  4  1  1  0  0  0
  5  6  1  0  0  0
  5  4  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6 14  1  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  7  6  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8 11  1  0  0  0
  9  8  2  0  0  0
 10  8  2  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 15  1  0  0  0
 13 33  1  0  0  0
 14 13  1  0  0  0
 15 23  1  0  0  0
 15 16  1  0  0  0
 16 18  1  0  0  0
 17 16  2  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 21 22  1  0  0  0
 21 19  1  0  0  0
 22 35  1  0  0  0
 22 36  1  0  0  0
 22 37  1  0  0  0
 23 21  2  0  0  0
 23 38  1  0  0  0
 24 12  1  0  0  0
 24 39  1  0  0  0
 25 24  1  0  0  0
 25 40  1  0  0  0
 41 42  1  0  0  0
M  END
$$$$
