REMARK  Name = BDB016524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.447  -1.235   3.608  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1        2.558  -0.485   2.380  0.00  0.00    -0.272 N 
ATOM      3  N   LIG    1        1.849  -0.868   1.314  0.00  0.00    -0.165 NA
ATOM      4  C   LIG    1        2.144   0.038   0.353  0.00  0.00    +0.168 A 
ATOM      5  C   LIG    1        1.635  -0.115  -1.030  0.00  0.00    +0.266 C 
ATOM      6  N   LIG    1        0.811  -1.183  -1.359  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1        0.534  -1.102  -2.328  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1        1.030  -2.555  -0.931  0.00  0.00    +0.107 C 
ATOM      9  C   LIG    1       -0.094  -3.151  -0.081  0.00  0.00    +0.052 C 
ATOM     10  C   LIG    1       -1.466  -3.269  -0.760  0.00  0.00    +0.144 C 
ATOM     11  C   LIG    1       -2.373  -2.026  -0.602  0.00  0.00    +0.145 C 
ATOM     12  C   LIG    1       -2.961  -1.880   0.809  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1       -3.742  -0.573   0.996  0.00  0.00    +0.146 C 
ATOM     14  N   LIG    1       -2.855   0.573   1.069  0.00  0.00    -0.271 N 
ATOM     15  N   LIG    1       -2.166   0.803   2.202  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -1.228   1.675   1.816  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1       -1.381   2.076   0.470  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -0.489   2.848  -0.366  0.00  0.00    +0.075 A 
ATOM     19  N   LIG    1        0.810   2.765  -0.010  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        1.722   3.281  -0.869  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        3.166   3.130  -0.520  0.00  0.00    +0.267 C 
ATOM     22  N   LIG    1        3.610   2.201   0.400  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1        4.481   2.481   0.830  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        3.977   3.946  -0.968  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1        1.372   3.985  -2.017  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        0.023   4.115  -2.329  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -0.926   3.523  -1.501  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -2.486   1.379   0.030  0.00  0.00    +0.118 A 
ATOM     29  O   LIG    1        1.911   0.666  -1.944  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        3.029   1.043   0.886  0.00  0.00    +0.084 A 
ATOM     31  C   LIG    1        3.337   0.603   2.156  0.00  0.00    +0.132 A 
ENDROOT
BRANCH  11  32
ATOM     32  O   LIG    1       -3.465  -2.159  -1.534  0.00  0.00    -0.389 OA
ATOM     33  H   LIG    1       -3.945  -2.978  -1.314  0.00  0.00    +0.210 HD
ENDBRANCH  11  32
BRANCH  10  34
ATOM     34  O   LIG    1       -1.303  -3.569  -2.152  0.00  0.00    -0.389 OA
ATOM     35  H   LIG    1       -2.044  -3.127  -2.615  0.00  0.00    +0.210 HD
ENDBRANCH  10  34
TORSDOF 2