REMARK  Name = BDB014848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.233  -0.173   0.387  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.380  -0.592   1.296  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -6.611  -1.599   2.618  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.111  -1.488   2.521  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.591  -0.727   1.482  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.124  -0.567   1.479  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.648  -0.054   0.168  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.334   0.138  -0.341  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.385   0.648  -1.577  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.693   0.759  -1.865  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -3.084   1.263  -3.158  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.490   0.372  -0.837  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.968   0.361  -0.764  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.386   0.262   0.719  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -4.395  -2.066   3.339  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.147  -0.053   0.104  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        2.071  -0.493   1.064  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.452  -0.399   0.846  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        3.958   0.140  -0.343  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.040   0.581  -1.303  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        1.658   0.485  -1.080  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.407   0.234  -0.564  0.00  0.00    +0.093 A 
ATOM     23  N   LIG    1        6.290  -0.159   0.371  0.00  0.00    -0.171 NA
ATOM     24  N   LIG    1        7.495   0.071  -0.174  0.00  0.00    -0.274 N 
ATOM     25  C   LIG    1        8.683  -0.246   0.580  0.00  0.00    +0.172 C 
ATOM     26  C   LIG    1        7.436   0.598  -1.425  0.00  0.00    +0.108 A 
ATOM     27  C   LIG    1        6.097   0.718  -1.712  0.00  0.00    +0.049 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3