REMARK  Name = BDB006677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.384   2.575   0.736  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.922   1.198   0.445  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        1.625   0.695   0.413  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        0.213   1.071   0.612  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -0.467  -0.241   0.378  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.479  -1.264   0.045  0.00  0.00    +0.271 C 
ATOM      7  O   LIG    1        0.258  -2.435  -0.213  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.747  -0.625   0.093  0.00  0.00    +0.137 A 
ATOM      9  N   LIG    1        3.067  -0.901  -0.077  0.00  0.00    -0.209 N 
ATOM     10  N   LIG    1        3.804   0.230   0.147  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.844  -0.428   0.522  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -2.470  -1.593   0.253  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -3.847  -1.705   0.413  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1       -4.656  -0.671   0.844  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1       -5.905  -1.080   0.894  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1       -5.934  -2.395   0.493  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -4.043   0.584   1.147  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1       -4.841   1.769   1.627  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -4.702  -2.766   0.206  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1       -4.274  -4.102  -0.265  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1       -2.699   0.678   0.990  0.00  0.00    +0.032 A 
ENDBRANCH   5  11
BRANCH   4  22
ATOM     22  C   LIG    1       -0.075   2.148  -0.416  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -0.117   3.494  -0.006  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.375   4.515  -0.925  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.592   4.203  -2.264  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.909   5.461  -3.394  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.553   2.880  -2.693  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.295   1.858  -1.776  0.00  0.00    +0.007 A 
ENDBRANCH   4  22
BRANCH   9  29
ATOM     29  C   LIG    1        3.741  -2.066  -0.413  0.00  0.00    +0.153 A 
ATOM     30  N   LIG    1        5.103  -2.200  -0.554  0.00  0.00    -0.250 N 
ATOM     31  C   LIG    1        6.150  -1.215  -0.402  0.00  0.00    +0.174 C 
ATOM     32  N   LIG    1        5.473  -3.459  -0.887  0.00  0.00    -0.178 NA
ATOM     33  C   LIG    1        4.324  -4.128  -0.959  0.00  0.00    +0.136 A 
ATOM     34  C   LIG    1        3.214  -3.314  -0.675  0.00  0.00    +0.069 A 
ENDBRANCH   9  29
TORSDOF 3