REMARK  Name = BDB045352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.212  -0.793  -0.101  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        3.554   0.518   0.266  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        2.535   1.435   0.531  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1        1.172   1.054   0.432  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        0.839  -0.249   0.068  0.00  0.00    +0.082 A 
ATOM      6  N   LIG    1       -0.424  -0.666  -0.042  0.00  0.00    -0.214 NA
ATOM      7  C   LIG    1       -1.418   0.199   0.208  0.00  0.00    +0.220 A 
ATOM      8  N   LIG    1       -1.191   1.468   0.566  0.00  0.00    -0.199 NA
ATOM      9  C   LIG    1        0.075   1.888   0.673  0.00  0.00    +0.129 A 
ATOM     10  C   LIG    1        1.862  -1.152  -0.193  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1       -2.721  -0.242   0.116  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1       -3.782   0.760   0.004  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -4.928   0.266  -0.909  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1       -5.486  -1.056  -0.573  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1       -6.152  -0.947   0.192  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -4.432  -1.990  -0.124  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1       -2.976  -1.571  -0.430  0.00  0.00    +0.123 C 
ENDBRANCH   7  11
BRANCH   9  18
ATOM     18  N   LIG    1        0.243   3.232   1.050  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1        0.764   3.727   0.334  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1        0.756   3.279   1.925  0.00  0.00    +0.144 HD
ENDBRANCH   9  18
BRANCH   1  22
ATOM     21  C   LIG    1        3.954  -2.981  -0.718  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        4.260  -1.644  -0.347  0.00  0.00    -0.491 OA
ENDBRANCH   1  22
BRANCH   2  23
ATOM     23  O   LIG    1        4.894   0.799   0.336  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1        5.282   2.112   0.712  0.00  0.00    +0.277 C 
ENDBRANCH   2  23
TORSDOF 4