REMARK  Name = BDB046613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.121  -1.331   1.833  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.971  -0.988   1.585  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -3.185  -1.657   0.538  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -1.885  -1.228   0.309  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -1.072  -1.844  -0.649  0.00  0.00    +0.037 A 
ATOM      6  N   LIG    1        0.211  -1.365  -0.925  0.00  0.00    -0.334 N 
ATOM      7  H   LIG    1        0.843  -2.022  -1.388  0.00  0.00    +0.147 HD
ATOM      8  C   LIG    1        0.890  -0.739   0.234  0.00  0.00    +0.134 C 
ATOM      9  C   LIG    1        0.038   0.413   0.801  0.00  0.00    +0.115 C 
ATOM     10  C   LIG    1       -1.632  -2.855  -1.437  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -2.943  -3.291  -1.216  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -1.373  -0.092   1.096  0.00  0.00    +0.082 A 
ATOM     13  N   LIG    1       -2.074   0.489   2.026  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -3.720  -2.699  -0.220  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -3.336   0.029   2.260  0.00  0.00    -0.242 N 
ATOM     16  H   LIG    1       -3.866   0.513   2.979  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1        0.023   1.685  -0.027  0.00  0.00    +0.052 A 
ATOM     18  N   LIG    1        0.626   2.765   0.539  0.00  0.00    -0.259 NA
ATOM     19  C   LIG    1        0.637   3.921  -0.160  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        0.083   4.065  -1.418  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -0.520   2.956  -1.994  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -0.553   1.752  -1.295  0.00  0.00    +0.024 A 
ENDBRANCH   9  17
BRANCH   8  23
ATOM     23  C   LIG    1        2.348  -0.450  -0.131  0.00  0.00    +0.062 A 
ATOM     24  N   LIG    1        2.898  -1.264  -1.082  0.00  0.00    -0.258 NA
ATOM     25  C   LIG    1        4.197  -1.073  -1.402  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        5.004  -0.122  -0.805  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        4.448   0.679   0.182  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        3.109   0.510   0.532  0.00  0.00    +0.025 A 
ENDBRANCH   8  23
TORSDOF 2