REMARK  Name = BDB021082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.340   0.006  -1.254  0.00  0.00    -0.283 N 
ATOM      2  C   LIG    1        0.016  -0.219  -0.865  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.037  -0.439  -1.814  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.364  -0.677  -1.399  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        2.703  -0.736  -0.043  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1        1.690  -0.554   0.899  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        0.755  -0.391  -3.293  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.728  -0.531  -3.577  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.373  -0.305   0.492  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -1.496   0.407  -2.662  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1       -4.760  -3.877   0.075  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -5.673  -2.729   0.419  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -5.490  -1.536  -0.263  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1       -4.279  -1.197  -1.014  0.00  0.00    +0.164 C 
ATOM     15  C   LIG    1       -3.595  -0.068  -0.333  0.00  0.00    +0.078 A 
ATOM     16  N   LIG    1       -4.211   0.716   0.616  0.00  0.00    -0.327 N 
ATOM     17  C   LIG    1       -3.308   1.639   1.057  0.00  0.00    +0.115 A 
ATOM     18  N   LIG    1       -2.155   1.500   0.438  0.00  0.00    -0.217 NA
ATOM     19  C   LIG    1       -5.569   0.508   1.083  0.00  0.00    +0.142 C 
ATOM     20  C   LIG    1       -2.322   0.448  -0.423  0.00  0.00    +0.149 A 
ATOM     21  C   LIG    1       -6.324  -0.389   0.105  0.00  0.00    +0.129 C 
ATOM     22  O   LIG    1       -6.551  -2.868   1.272  0.00  0.00    -0.276 OA
BRANCH  17  23
ATOM     23  C   LIG    1       -3.563   2.706   2.157  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -2.884   4.046   2.041  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -4.362   3.935   1.811  0.00  0.00    +0.012 C 
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   5  26
ATOM     26  C   LIG    1        4.066  -0.992   0.387  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.204  -0.650  -0.316  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        6.267  -1.034   0.455  0.00  0.00    -0.271 N 
ATOM     29  N   LIG    1        5.901  -1.649   1.598  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        4.566  -1.601   1.562  0.00  0.00    +0.142 A 
BRANCH  28  31
ATOM     31  C   LIG    1        7.678  -0.910   0.110  0.00  0.00    +0.147 C 
BRANCH  31  32
ATOM     32  C   LIG    1        8.361   0.359   0.540  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1        8.130   0.985   1.893  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1        7.664   1.694   0.650  0.00  0.00    +0.005 C 
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH   5  26
TORSDOF 5