REMARK  Name = BDB051864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.704   0.314  -0.512  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        1.424  -0.850  -0.808  0.00  0.00    +0.252 C 
ATOM      3  O   LIG    1        1.235  -1.988  -0.418  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.525  -0.486  -1.727  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        2.408   0.892  -1.956  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.276   1.572  -2.797  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        4.281   0.845  -3.425  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.402  -0.536  -3.200  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        3.526  -1.234  -2.339  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        1.260   1.463  -1.196  0.00  0.00    +0.149 C 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -2.751   0.681   2.044  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -2.187   1.777   1.376  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -1.061   1.655   0.540  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -0.432   0.423   0.337  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -0.971  -0.673   1.008  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -2.096  -0.543   1.843  0.00  0.00    +0.025 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -4.520  -0.393   3.385  0.00  0.00    +0.129 C 
ATOM     18  N   LIG    1       -3.859   0.812   2.887  0.00  0.00    -0.336 N 
ATOM     19  C   LIG    1       -4.717   1.988   2.744  0.00  0.00    +0.129 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   9  20
ATOM     20  C   LIG    1        3.791  -2.695  -2.200  0.00  0.00    +0.242 C 
ATOM     21  O   LIG    1        4.537  -3.272  -2.986  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1        3.228  -3.397  -1.181  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        2.432  -3.046  -0.650  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        3.343  -4.401  -1.201  0.00  0.00    +0.145 HD
ENDBRANCH   9  20
TORSDOF 3