REMARK  Name = BDB005644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.521  -1.328   0.332  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        3.122  -0.153  -0.160  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        2.325   0.685  -0.959  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1        2.863   1.858  -1.499  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        2.294   2.464  -2.074  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        4.148   2.269  -1.299  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1        5.003   1.404  -0.446  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        6.414   1.873  -0.203  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        7.308   0.793   0.419  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        6.558   0.018   1.497  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1        5.331  -0.510   0.925  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1        4.788  -1.116   1.544  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1        4.568   3.310  -1.796  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.987   0.382  -1.236  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        0.395  -0.773  -0.712  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        4.526   0.267   0.100  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        1.172  -1.621   0.082  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1        3.667  -3.318   0.353  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        3.213  -2.207   1.134  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1       -1.056  -1.083  -0.992  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -1.925  -0.084  -0.373  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1       -1.740  -0.062   0.630  0.00  0.00    +0.122 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.340  -0.399  -0.607  0.00  0.00    +0.096 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.250   0.691   0.004  0.00  0.00    +0.099 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.687   0.459  -0.233  0.00  0.00    -0.297 NA
ATOM     26  C   LIG    1       -6.167  -0.781   0.418  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1       -7.672  -0.732   0.719  0.00  0.00    +0.175 C 
ATOM     28  O   LIG    1       -8.010   0.297   1.660  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1       -7.143   1.436   1.582  0.00  0.00    +0.175 C 
ATOM     30  C   LIG    1       -6.502   1.618   0.197  0.00  0.00    +0.112 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 6