CGL
  CCTOOLS-0411250958

 49 48  0  0  1  0  0  0  0  0999 V2000
    3.6660   -3.1900    1.2250 N   0  0  0  0  0
    2.9020   -3.8620    0.1650 C   0  0  0  0  0
    2.0880   -2.8250   -0.6120 C   0  0  0  0  0
    0.8390   -2.0940    0.4820 S   0  0  0  0  0
    3.8520   -4.5600   -0.7730 C   0  0  0  0  0
    5.0130   -4.2290   -0.8140 O   0  0  0  0  0
   -5.1050   -1.0270   -1.8880 N   0  0  0  0  0
   -5.0550   -1.1920   -0.4290 C   0  0  0  0  0
   -6.4240   -0.9470    0.1520 C   0  0  0  0  0
   -7.2470   -0.3280   -0.4810 O   0  0  0  0  0
   -6.7300   -1.4170    1.3720 O   0  0  0  0  0
   -4.0630   -0.1890    0.1640 C   0  0  0  0  0
   -2.6520   -0.5150   -0.3290 C   0  0  0  0  0
   -1.6750    0.4730    0.2550 C   0  0  0  0  0
   -2.0690    1.3510    0.9930 O   0  0  0  0  0
   -0.3640    0.3800   -0.0430 N   0  0  0  0  0
    0.5860    1.3400    0.5250 C   0  0  0  0  0
    0.6260    2.5760   -0.3360 C   0  0  0  0  0
   -0.0710    2.6480   -1.3270 O   0  0  0  0  0
    1.9790    0.7100    0.5770 C   0  0  0  0  0
    1.9310   -0.7780    1.6140 S   0  0  0  0  0
    1.4350    3.6020   -0.0060 N   0  0  0  0  0
    1.4740    4.8030   -0.8430 C   0  0  0  0  0
    2.4510    5.7910   -0.2590 C   0  0  0  0  0
    3.0530    5.5190    0.7520 O   0  0  0  0  0
    2.6520    6.9730   -0.8630 O   0  0  0  0  0
    4.1990   -2.4180    0.8530 H   0  0  0  0  0
    3.0580   -2.8850    1.9700 H   0  0  0  0  0
    2.2280   -4.5930    0.6110 H   0  0  0  0  0
    2.7520   -2.0430   -0.9790 H   0  0  0  0  0
    4.0540   -5.9680   -2.1490 H   0  0  0  0  0
   -5.4000   -0.0940   -2.1360 H   0  0  0  0  0
   -4.2150   -1.2480   -2.3070 H   0  0  0  0  0
   -4.7340   -2.2050   -0.1880 H   0  0  0  0  0
   -7.6200   -1.2350    1.7020 H   0  0  0  0  0
   -4.3340    0.8190   -0.1500 H   0  0  0  0  0
   -4.0910   -0.2500    1.2520 H   0  0  0  0  0
   -2.3810   -1.5230   -0.0140 H   0  0  0  0  0
   -2.6240   -0.4540   -1.4170 H   0  0  0  0  0
   -0.0490   -0.3230   -0.6330 H   0  0  0  0  0
    0.2710    1.6100    1.5330 H   0  0  0  0  0
    2.2930    0.4400   -0.4310 H   0  0  0  0  0
    2.6850    1.4240    0.9990 H   0  0  0  0  0
    1.9920    3.5450    0.7860 H   0  0  0  0  0
    1.7890    4.5340   -1.8510 H   0  0  0  0  0
    0.4810    5.2530   -0.8800 H   0  0  0  0  0
    3.2880    7.5740   -0.4510 H   0  0  0  0  0
    3.4080   -5.5500   -1.5640 O   0  0  0  0  0
    1.5940   -3.3080   -1.4550 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  5  1  0  0  0
  2 29  1  0  0  0
  3  2  1  0  0  0
  3 30  1  0  0  0
  3 49  1  0  0  0
  4  3  1  0  0  0
  5 48  1  0  0  0
  6  5  2  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8 12  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 11  1  0  0  0
 10  9  2  0  0  0
 11 35  1  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 13 12  1  0  0  0
 13 38  1  0  0  0
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 14 13  1  0  0  0
 15 14  2  0  0  0
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 17 20  1  0  0  0
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 18 19  2  0  0  0
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 21 20  1  0  0  0
 21  4  1  0  0  0
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 24 23  1  0  0  0
 25 24  2  0  0  0
 26 24  1  0  0  0
 26 47  1  0  0  0
 48 31  1  0  0  0
M  END
$$$$
