4TA
  CCTOOLS-0919241033

 76 80  0  0  1  0  0  0  0  0999 V2000
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   -5.9430    5.4050   -1.5640 C   0  0  0  0  0
   -5.6340    4.8270   -0.3840 C   0  0  0  0  0
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   -7.1500    3.0730    2.2050 C   0  0  0  0  0
   -7.4120    1.5830    2.5340 C   0  0  0  0  0
   -7.7510    1.4170    3.9120 O   0  0  0  0  0
   -6.0400    0.9350    2.2210 C   0  0  0  0  0
   -6.2070   -0.5500    1.8920 C   0  0  0  0  0
   -4.9210   -1.1490    1.7220 O   0  0  0  0  0
   -4.7190   -2.7060    1.3660 P   0  0  0  0  0
   -5.2290   -3.5720    2.5390 O   0  5  0  0  0
   -5.5150   -3.0500    0.0870 O   0  0  0  0  0
   -3.1550   -3.0010    1.1200 O   0  0  0  0  0
   -2.3430   -4.1710    0.3690 P   0  0  0  0  0
   -2.3590   -5.4490    1.2360 O   0  5  0  0  0
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    1.5170   -3.0580   -0.8820 O   0  0  0  0  0
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    3.8340   -3.7530   -1.7700 O   0  5  0  0  0
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    3.2930   -1.2430   -1.5640 O   0  0  0  0  0
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    5.0420    2.7470   -3.1240 O   0  0  0  0  0
    7.2280    1.3280    0.6520 N   0  0  0  0  0
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    8.8300    1.4230    2.1830 C   0  0  0  0  0
    8.0020    2.2090    1.3640 C   0  0  0  0  0
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    9.7730    3.4070    3.0170 N   0  0  0  0  0
    9.7360    2.0790    3.0340 C   0  0  0  0  0
   10.5810    1.3580    3.8600 N   0  0  0  0  0
   -5.5800    1.6630    1.0620 O   0  0  0  0  0
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   -4.3620    6.4400   -2.5570 H   0  0  0  0  0
   -5.9400    7.2610   -2.6180 H   0  0  0  0  0
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   -8.0090    3.5080    1.6950 H   0  0  0  0  0
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   11.2020    1.8220    4.4430 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 52  1  0  0  0
  1 53  1  0  0  0
  1 54  1  0  0  0
  2  3  2  0  0  0
  2 50  1  0  0  0
  3  4  1  0  0  0
  3 55  1  0  0  0
  4  5  1  0  0  0
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 10 62  1  0  0  0
 10 63  1  0  0  0
 11 12  1  0  0  0
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 16 17  1  0  0  0
 16 18  2  0  0  0
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 19 20  1  0  0  0
 20 21  1  0  0  0
 20 22  2  0  0  0
 20 23  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 24 26  2  0  0  0
 24 27  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 28 64  1  0  0  0
 28 65  1  0  0  0
 29 30  1  0  0  0
 29 34  1  0  0  0
 29 66  1  0  0  0
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 31 32  1  0  0  0
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 34 35  1  0  0  0
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 35 71  1  0  0  0
 36 37  1  0  0  0
 36 40  1  0  0  0
 37 38  2  0  0  0
 37 72  1  0  0  0
 38 39  1  0  0  0
 39 40  2  0  0  0
 39 44  1  0  0  0
 40 41  1  0  0  0
 41 42  2  0  0  0
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 47 48  2  0  0  0
 47 49  1  0  0  0
 49 50  1  0  0  0
 49 76  1  0  0  0
 50 51  2  0  0  0
M  CHG  1  13  -1
M  CHG  1  17  -1
M  CHG  1  21  -1
M  CHG  1  25  -1
M  END
$$$$
