498
  CCTOOLS-0925261352

 42 53  0  0  0  0  0  0  0  0999 V2000
    0.6560   -0.3960    0.4940 C   0  0  0  0  0
   -1.9110   -0.7690   -1.7740 RU  0  0  0  0  0
    1.9190   -0.7940    0.0960 C   0  0  0  0  0
    3.0010    0.0530    0.2710 C   0  0  0  0  0
    2.8170    1.2990    0.8540 C   0  0  0  0  0
    1.5540    1.6920    1.2600 C   0  0  0  0  0
    0.4720    0.8360    1.1040 C   0  0  0  0  0
    4.6050   -0.4750   -0.2620 S   0  0  0  0  0
    5.5590    0.5140    0.1220 O   0  0  0  0  0
    4.7820   -1.8130    0.1970 O   0  0  0  0  0
    4.6050   -0.5260   -1.8630 N   0  0  0  0  0
   -0.8410    1.2730    1.5190 N   0  0  0  0  0
   -2.1100    0.9110    1.1380 C   0  0  0  0  0
   -2.9570    1.6390    1.9440 C   0  0  0  0  0
   -2.0720   -0.0700   -3.8330 C   0  5  0  0  0
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    4.3910    0.2220   -2.2290 H   0  0  0  0  0
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   -0.8280   -2.9430   -3.2100 H   0  0  0  0  0
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   -3.5400    1.4670   -1.1660 H   0  0  0  0  0
  1  3  2  0  0  0
  1  7  1  0  0  0
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  6  7  2  0  0  0
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 39 23  1  0  0  0
 40 24  1  0  0  0
 41 25  1  0  0  0
 42 26  1  0  0  0
M  CHG  1  15  -1
M  CHG  1  22  -1
M  END
$$$$
