REMARK  Name = BDB005164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.035   0.975   0.854  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        0.895   0.384   0.299  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -0.147   1.145  -0.297  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.042   2.545  -0.370  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1       -1.013   3.273  -0.964  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -2.057   2.618  -1.482  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1       -2.249   1.302  -1.453  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        1.106   3.140   0.189  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1       -1.310   0.564  -0.848  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        2.119   2.364   0.791  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.793  -1.612   3.008  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        2.788  -0.834   2.414  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        3.096   0.163   1.473  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1        4.448   0.356   1.141  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        5.454  -0.423   1.719  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.129  -1.409   2.649  0.00  0.00    +0.013 A 
BRANCH  11  20
ATOM     17  N   LIG    1        4.322  -3.071   4.893  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        5.157  -2.538   5.086  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        3.982  -3.679   5.628  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1        3.385  -2.651   3.990  0.00  0.00    +0.242 C 
ATOM     21  O   LIG    1        2.244  -3.095   4.016  0.00  0.00    -0.270 OA
ENDBRANCH  11  20
ENDBRANCH   1  13
BRANCH   8  22
ATOM     22  C   LIG    1        1.346   4.618   0.189  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1        2.396   5.097   0.604  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1        0.367   5.437  -0.287  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        0.548   6.428  -0.350  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -0.471   5.051  -0.713  0.00  0.00    +0.145 HD
ENDBRANCH   8  22
BRANCH   9  27
ATOM     27  N   LIG    1       -1.476  -0.830  -0.790  0.00  0.00    -0.324 N 
ATOM     28  H   LIG    1       -1.358  -1.134   0.174  0.00  0.00    +0.148 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -2.640  -1.492  -1.399  0.00  0.00    +0.086 C 
ATOM     30  C   LIG    1       -2.725  -1.343  -2.941  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1       -4.066  -1.577  -3.517  0.00  0.00    -0.314 NA
ATOM     32  H   LIG    1       -4.556  -0.681  -3.536  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1       -4.835  -2.513  -2.700  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1       -5.129  -1.945  -1.309  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1       -3.964  -1.147  -0.711  0.00  0.00    +0.025 C 
ENDBRANCH  27  29
ENDBRANCH   9  27
TORSDOF 5