REMARK  Name = BDB038481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.342   0.936   0.230  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -1.030   0.583   0.594  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.071   1.058  -0.124  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -0.147   1.893  -1.225  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -1.441   2.266  -1.590  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.532   1.794  -0.863  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.256  -0.683   0.573  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -3.488   0.424   0.997  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1       -3.830   1.055   2.208  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -4.902   0.604   2.981  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.650  -0.490   2.561  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.327  -1.133   1.366  0.00  0.00    +0.012 A 
BRANCH   7  15
ATOM     13  C   LIG    1       -5.799  -0.398  -2.083  0.00  0.00    +0.152 C 
ATOM     14  N   LIG    1       -4.673  -1.258  -1.839  0.00  0.00    -0.317 N 
ATOM     15  C   LIG    1       -3.967  -1.395  -0.669  0.00  0.00    +0.164 A 
ATOM     16  N   LIG    1       -3.017  -2.290  -0.867  0.00  0.00    -0.129 NA
ATOM     17  N   LIG    1       -3.099  -2.732  -2.169  0.00  0.00    -0.138 NA
ATOM     18  C   LIG    1       -4.098  -2.101  -2.738  0.00  0.00    +0.225 A 
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  N   LIG    1        1.404   0.741   0.187  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        2.128   1.072  -0.445  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        1.885   0.029   1.268  0.00  0.00    +0.267 C 
ATOM     22  O   LIG    1        1.243  -0.427   2.206  0.00  0.00    -0.268 OA
BRANCH  21  23
ATOM     23  C   LIG    1        3.391  -0.119   1.188  0.00  0.00    +0.133 A 
ATOM     24  N   LIG    1        4.055   0.453   0.116  0.00  0.00    -0.229 NA
ATOM     25  C   LIG    1        5.337   0.288   0.086  0.00  0.00    +0.114 A 
ATOM     26  N   LIG    1        6.037  -0.396   1.037  0.00  0.00    -0.311 N 
ATOM     27  H   LIG    1        7.038  -0.502   0.982  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1        5.431  -0.965   2.116  0.00  0.00    +0.252 A 
ATOM     29  O   LIG    1        6.054  -1.566   2.982  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        3.977  -0.806   2.176  0.00  0.00    +0.103 A 
BRANCH  25  31
ATOM     31  C   LIG    1        6.075   0.885  -1.053  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        7.260   0.192  -1.684  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1        7.465   1.456  -0.897  0.00  0.00    +0.012 C 
ENDBRANCH  25  31
ENDBRANCH  21  23
ENDBRANCH   3  19
TORSDOF 5