REMARK  Name = BDB051896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.483  -0.464   1.607  0.00  0.00    +0.217 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -3.868  -0.252   0.270  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -3.210   0.792  -0.463  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -1.868   0.816  -0.065  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -0.945   1.725  -0.608  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -1.398   2.631  -1.571  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.725   2.631  -1.982  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -1.716  -0.174   0.883  0.00  0.00    -0.337 N 
ATOM      9  C   LIG    1       -3.636   1.720  -1.439  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -2.910  -0.816   1.094  0.00  0.00    +0.098 A 
BRANCH   2  12
ATOM     11  C   LIG    1       -5.733  -1.836   1.004  0.00  0.00    +0.091 C 
ATOM     12  C   LIG    1       -5.272  -0.659   0.178  0.00  0.00    +0.162 C 
ATOM     13  O   LIG    1       -6.076  -0.069  -0.545  0.00  0.00    -0.292 OA
ENDBRANCH   2  12
ENDBRANCH   1   8
BRANCH   1  14
ATOM     14  C   LIG    1        0.430  -1.391   0.819  0.00  0.00    +0.235 C 
ATOM     15  N   LIG    1        1.781  -1.057   0.726  0.00  0.00    -0.300 N 
ATOM     16  C   LIG    1        2.410   0.021   1.488  0.00  0.00    +0.108 C 
ATOM     17  C   LIG    1        3.934  -0.050   1.467  0.00  0.00    +0.033 C 
ATOM     18  C   LIG    1        4.483  -0.120   0.035  0.00  0.00    +0.101 C 
ATOM     19  C   LIG    1        3.647  -1.026  -0.880  0.00  0.00    +0.033 C 
ATOM     20  C   LIG    1        2.651  -1.883  -0.108  0.00  0.00    +0.108 C 
ATOM     21  O   LIG    1       -0.014  -2.419   0.299  0.00  0.00    -0.274 OA
BRANCH  18  22
ATOM     22  C   LIG    1        4.572   1.265  -0.568  0.00  0.00    +0.308 C 
ATOM     23  O   LIG    1        4.009   2.272  -0.176  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1        5.374   1.300  -1.649  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1        5.343   2.233  -1.949  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH   1  14
TORSDOF 5