REMARK  Name = BDB001319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.502  -0.177  -0.069  0.00  0.00    -0.279 N 
ATOM      2  C   LIG    1        1.658  -0.945  -0.026  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1        2.728  -0.111  -0.315  0.00  0.00    +0.128 A 
ATOM      4  N   LIG    1        3.989  -0.592  -0.448  0.00  0.00    -0.241 NA
ATOM      5  C   LIG    1        4.114  -1.914  -0.262  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        3.009  -2.751   0.035  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1        3.225  -4.112   0.211  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        4.501  -4.669   0.104  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        5.582  -3.849  -0.186  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        5.378  -2.481  -0.367  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        2.233   1.204  -0.445  0.00  0.00    +0.119 A 
ATOM     12  N   LIG    1        1.755  -2.284   0.149  0.00  0.00    -0.225 NA
ATOM     13  C   LIG    1        0.876   1.179  -0.133  0.00  0.00    +0.131 A 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -3.460  -1.696  -0.067  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1       -3.131  -0.592  -0.852  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -1.823  -0.091  -0.852  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -0.833  -0.690  -0.058  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1       -1.158  -1.813   0.708  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1       -2.468  -2.301   0.707  0.00  0.00    +0.047 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -5.729  -1.735  -0.781  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -4.693  -2.279   0.028  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH   1  17
BRANCH  13  22
ATOM     22  N   LIG    1       -0.056   2.194   0.119  0.00  0.00    -0.264 N 
ATOM     23  H   LIG    1       -1.013   1.921   0.306  0.00  0.00    +0.157 HD
ATOM     24  C   LIG    1        0.282   3.474   0.548  0.00  0.00    +0.285 C 
ATOM     25  O   LIG    1        1.429   3.816   0.811  0.00  0.00    -0.266 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -0.866   4.352   0.728  0.00  0.00    +0.189 A 
ATOM     27  O   LIG    1       -0.662   5.554   1.354  0.00  0.00    -0.458 OA
ATOM     28  C   LIG    1       -1.852   6.199   1.410  0.00  0.00    +0.196 A 
ATOM     29  C   LIG    1       -2.837   5.440   0.828  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -2.206   4.251   0.385  0.00  0.00    +0.054 A 
ENDBRANCH  24  26
ENDBRANCH  13  22
BRANCH  11  31
ATOM     31  C   LIG    1        3.040   2.311  -0.858  0.00  0.00    +0.105 C 
ATOM     32  N   LIG    1        3.703   3.167  -1.275  0.00  0.00    -0.191 NA
ENDBRANCH  11  31
TORSDOF 5