A1ATU
  CCTOOLS-0214251004

 44 45  0  0  0  0  0  0  0  0999 V2000
    3.2780    1.6600    0.0820 N   0  0  0  0  0
    1.2240    0.9350   -0.7570 N   0  0  0  0  0
   -0.6000   -1.2620    0.9360 C   0  0  0  0  0
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    2.4960    0.6720   -0.3960 C   0  0  0  0  0
    0.5960   -2.7820   -0.4690 C   0  0  0  0  0
    5.4930    2.6550    0.3790 C   0  0  0  0  0
   -4.7140    3.3240    0.6920 C   0  0  0  0  0
   -2.3840    0.3480    0.6880 C   0  0  0  0  0
   -0.2120   -3.5390    1.5560 C   0  0  0  0  0
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    4.6610    1.3750    0.4740 C   0  0  0  0  0
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   -4.1460    1.9540    0.4290 C   0  0  0  0  0
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    0.0870   -1.5200   -0.2500 C   0  0  0  0  0
    0.4400   -3.7400    0.4260 N   0  0  0  0  0
   -1.1300   -0.0010    1.1960 N   0  0  0  0  0
    2.9380   -0.4560   -0.5030 O   0  0  0  0  0
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    1.0860   -0.8120   -2.4950 O   0  0  0  0  0
    0.3000   -0.2500   -1.4530 S   0  0  0  0  0
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    0.8500    1.8170   -0.6080 H   0  0  0  0  0
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    1.1290   -2.9910   -1.3850 H   0  0  0  0  0
    5.0750    3.4110    1.0440 H   0  0  0  0  0
    6.5210    2.4430    0.6700 H   0  0  0  0  0
    5.4740    3.0240   -0.6470 H   0  0  0  0  0
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   -0.3170   -4.3490    2.2620 H   0  0  0  0  0
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    5.7150    0.6440    2.2050 H   0  0  0  0  0
    4.2680    1.6120    2.5790 H   0  0  0  0  0
    4.0940   -0.0560    1.9820 H   0  0  0  0  0
    5.0790    0.6190   -0.1910 H   0  0  0  0  0
   -2.3440    2.3270    1.5140 H   0  0  0  0  0
   -5.8380    1.3080   -0.7080 H   0  0  0  0  0
   -4.9140   -0.9300   -1.1480 H   0  0  0  0  0
   -0.6280    0.6350    1.7290 H   0  0  0  0  0
  1 13  1  0  0  0
  1  5  1  0  0  0
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  2  5  1  0  0  0
  2 26  1  0  0  0
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  3 20  1  0  0  0
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  5 21  2  0  0  0
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  6 28  1  0  0  0
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 24 23  2  0  0  0
 24 22  2  0  0  0
M  END
$$$$
