REMARK  Name = BDB016584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.274  -1.078   0.236  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1       -1.349  -2.184   0.209  0.00  0.00    +0.234 C 
ATOM      3  O   LIG    1       -1.077  -3.381   0.331  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -2.647  -1.796   0.050  0.00  0.00    -0.310 N 
ATOM      5  H   LIG    1       -3.309  -2.560  -0.006  0.00  0.00    +0.149 HD
ATOM      6  C   LIG    1       -3.040  -0.493  -0.419  0.00  0.00    +0.139 C 
ATOM      7  C   LIG    1       -2.873   0.601   0.606  0.00  0.00    -0.027 A 
ATOM      8  C   LIG    1       -1.728   0.762   1.414  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -1.686   1.845   2.318  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -2.729   2.765   2.406  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.843   2.620   1.594  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.912   1.551   0.702  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -0.537  -0.181   1.451  0.00  0.00    +0.067 C 
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1        1.044  -1.729   0.369  0.00  0.00    -0.327 N 
ATOM     15  H   LIG    1        0.959  -2.742   0.514  0.00  0.00    +0.147 HD
BRANCH  14  20
ATOM     16  C   LIG    1        3.954   1.738  -1.757  0.00  0.00    +0.176 C 
ATOM     17  N   LIG    1        3.712   0.401  -1.244  0.00  0.00    -0.231 N 
ATOM     18  C   LIG    1        2.459   0.082  -0.721  0.00  0.00    +0.289 A 
ATOM     19  O   LIG    1        1.546   0.906  -0.658  0.00  0.00    -0.264 OA
ATOM     20  C   LIG    1        2.254  -1.343  -0.223  0.00  0.00    +0.115 A 
ATOM     21  C   LIG    1        3.294  -2.177  -0.375  0.00  0.00    +0.087 A 
ATOM     22 CL   LIG    1        3.269  -3.826   0.121  0.00  0.00    -0.080 Cl
ATOM     23  C   LIG    1        4.527  -1.696  -1.004  0.00  0.00    +0.155 A 
ATOM     24  N   LIG    1        4.738  -0.493  -1.420  0.00  0.00    -0.175 NA
ENDBRANCH  14  20
ENDBRANCH   1  14
TORSDOF 2