REMARK  Name = BDB051294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.124  -0.353   1.377  0.00  0.00    +0.150 A 
ATOM      2  N   LIG    1        0.763  -0.316   0.360  0.00  0.00    -0.160 NA
ATOM      3  N   LIG    1        1.899   0.147   0.917  0.00  0.00    -0.215 N 
ATOM      4  C   LIG    1        1.774   0.401   2.259  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        2.826   0.879   3.005  0.00  0.00    -0.307 N 
ATOM      6  H   LIG    1        2.732   1.061   3.997  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        4.054   1.124   2.420  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1        4.186   0.848   0.956  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1        5.403   1.076   0.308  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        5.521   0.815  -1.060  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.429   0.325  -1.784  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        3.209   0.093  -1.148  0.00  0.00    +0.028 A 
ATOM     13  O   LIG    1        4.998   1.552   3.073  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        3.097   0.358   0.219  0.00  0.00    +0.080 A 
ATOM     15  C   LIG    1        0.487   0.081   2.594  0.00  0.00    +0.081 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1       -2.129  -1.136   2.300  0.00  0.00    -0.268 OA
ATOM     17  C   LIG    1       -1.522  -0.838   1.269  0.00  0.00    +0.267 C 
ATOM     18  N   LIG    1       -2.140  -0.956   0.011  0.00  0.00    -0.295 N 
ATOM     19  C   LIG    1       -1.603  -0.359  -1.217  0.00  0.00    +0.123 C 
ATOM     20  C   LIG    1       -2.614  -0.078  -2.346  0.00  0.00    +0.100 C 
ATOM     21  N   LIG    1       -3.758   0.749  -1.943  0.00  0.00    -0.314 NA
ATOM     22  H   LIG    1       -3.459   1.429  -1.243  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -4.864  -0.043  -1.410  0.00  0.00    +0.082 C 
ATOM     24  C   LIG    1       -4.601  -0.683  -0.048  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1       -3.423  -1.651  -0.052  0.00  0.00    +0.109 C 
ENDBRANCH   1  17
TORSDOF 1