REMARK  Name = BDB051697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.739   0.699   0.180  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.383   1.002   0.050  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        0.398  -0.010   0.027  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.793  -1.364   0.123  0.00  0.00    +0.077 A 
ATOM      5  N   LIG    1       -0.050  -2.408   0.093  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1       -1.341  -2.075  -0.068  0.00  0.00    +0.160 A 
ATOM      7  C   LIG    1       -1.879  -0.807  -0.175  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -3.272  -1.026  -0.355  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1       -4.336  -0.012  -0.553  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1       -3.583  -2.332  -0.331  0.00  0.00    -0.177 NA
ATOM     11  N   LIG    1       -2.391  -2.938  -0.162  0.00  0.00    -0.260 N 
ATOM     12  H   LIG    1       -2.351  -3.948  -0.122  0.00  0.00    +0.191 HD
ATOM     13  C   LIG    1        2.146  -1.640   0.254  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -0.984   0.269  -0.089  0.00  0.00    +0.142 A 
ATOM     15  C   LIG    1        3.119  -0.632   0.285  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        4.967   1.518   0.291  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        3.572   1.781   0.192  0.00  0.00    -0.495 OA
ENDBRANCH   1  17
BRANCH  14  18
ATOM     18  O   LIG    1       -1.432   1.568  -0.191  0.00  0.00    -0.494 OA
ATOM     19  C   LIG    1       -1.774   2.064   1.105  0.00  0.00    +0.277 C 
ENDBRANCH  14  18
TORSDOF 2