Typical SDF Formatted Deposition
  -OEChem-11050415022D

 94 96  0  0  0  0  0  0  0  0999 V2000
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   -7.4759   -0.8200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7639   -0.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3399   -0.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3239   -0.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0359   -0.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.1879    0.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7639   -1.6421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8999    0.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0359   -1.6421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7478   -0.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9159   -2.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2015   -3.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4870   -2.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0680    2.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3560    3.2907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7800    3.2907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560   -2.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4422   -2.8737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2492   -3.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6617   -2.3307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6279   -2.0532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0408   -3.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3239    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6119    0.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3239    1.6464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0519    1.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3399    2.0575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7639    2.0575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4920    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2040    0.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4920    1.6464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0359    1.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7478    2.0575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3239    2.0575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  3  4  1  0      
  4  5  1  0      
  5  6  1  0      
  6  7  1  0      
  7  8  1  0      
  8  9  1  0      
  9 10  1  0      
 10 11  1  0      
 11 12  1  0      
 12 13  1  0      
 13 14  1  0      
 14 15  1  0      
 15 16  1  0      
 16 17  1  0      
 17 18  1  0      
 18 19  1  0      
 19 20  1  0      
 20 21  1  0      
 21 22  1  0      
 22 23  1  0      
 23 24  1  0      
 24 25  1  0      
 25 26  1  0      
 26 27  1  0      
 27 28  1  0      
 28 29  1  0      
 29 30  1  0      
 30 31  1  0      
 31 32  1  0      
 32 33  1  0      
  3 34  2  0      
  6 35  2  0      
  9 36  2  0      
 12 37  2  0      
 15 38  2  0      
 18 39  2  0      
 21 40  2  0      
 24 41  2  0      
 27 42  2  0      
 30 43  2  0      
 33 44  2  0      
 33 45  1  0      
  2 46  1  1      
  8 47  1  1      
 14 48  1  1      
 20 49  1  1      
 32 50  1  1      
  5 51  1  6      
 11 52  1  6      
 17 53  1  6      
 23 54  1  6      
 29 55  1  6      
 47 56  1  0      
 52 57  1  0      
 57 58  2  0      
 58 59  1  0      
 59 60  2  0      
 60 61  1  0      
 61 62  2  0      
 62 57  1  0      
 48 63  1  0      
 63 64  1  0      
 64 65  1  0      
 65 66  1  0      
 66 67  1  0      
 66 68  2  0      
 53 69  1  0      
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 70 71  2  0      
 71 72  1  0      
 72 73  1  0      
 73 69  2  0      
 54 74  1  0      
 50 75  1  0      
 55 76  1  0      
 76 77  2  0      
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 78 79  2  0      
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 80 81  2  0      
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 46 83  1  0      
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 56 86  1  0      
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 86 88  1  0      
 49 89  1  0      
 89 90  2  0      
 89 91  1  0      
 75 92  1  0      
 92 93  2  0      
 92 94  1  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  83  84  85
M  SBL   1  1  85
M  SMT   1 COOH
M  SCL   1  
M  SBV   1  85   -0.7120   -0.4111
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  86  87  88
M  SBL   2  1  88
M  SMT   2 COOH
M  SCL   2  
M  SBV   2  88    0.0000   -0.8221
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  3  89  90  91
M  SBL   3  1  91
M  SMT   3 COOH
M  SCL   3  
M  SBV   3  91   -0.7120   -0.4111
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  3  92  93  94
M  SBL   4  1  94
M  SMT   4 COOH
M  SCL   4  
M  SBV   4  94    0.0000   -0.8221
M  END
$$$$
