REMARK  Name = BDB014845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.084  -0.338  -0.236  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -1.391  -1.298  -0.308  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.800  -3.198   0.600  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -6.442  -1.894   0.196  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -5.594  -0.824  -0.067  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -4.138  -1.000  -0.247  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -3.428   0.302  -0.148  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -2.042   0.619  -0.142  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.868   1.942  -0.043  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -3.105   2.462   0.029  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -3.260   3.889   0.165  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -4.074   1.516  -0.053  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.545   1.694  -0.028  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -6.200   0.418  -0.594  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -7.668  -1.809   0.123  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.327  -0.258  -0.237  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.042   0.937  -0.119  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.443   0.952  -0.131  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.174  -0.234  -0.260  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        2.468  -1.435  -0.385  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.067  -1.445  -0.373  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.639  -0.217  -0.275  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        5.419  -0.399   0.877  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        4.790  -0.617   2.225  0.00  0.00    +0.066 C 
ATOM     25  N   LIG    1        6.780  -0.389   0.859  0.00  0.00    -0.256 NA
ATOM     26  C   LIG    1        7.405  -0.189  -0.323  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        8.904  -0.180  -0.315  0.00  0.00    +0.065 C 
ATOM     28  C   LIG    1        6.712   0.003  -1.510  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        5.321  -0.012  -1.481  0.00  0.00    +0.012 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3