REMARK  Name = BDB046612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.202  -0.825   1.575  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.016  -0.589   1.376  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -3.244  -1.348   0.381  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -1.902  -1.040   0.206  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -1.097  -1.762  -0.687  0.00  0.00    +0.037 A 
ATOM      6  N   LIG    1        0.255  -1.433  -0.905  0.00  0.00    -0.336 N 
ATOM      7  H   LIG    1        0.793  -2.231  -1.240  0.00  0.00    +0.147 HD
ATOM      8  C   LIG    1        0.889  -0.782   0.254  0.00  0.00    +0.114 C 
ATOM      9  C   LIG    1        0.108   0.474   0.714  0.00  0.00    +0.095 C 
ATOM     10  C   LIG    1       -1.708  -2.743  -1.475  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -3.064  -3.051  -1.314  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -1.339   0.075   0.984  0.00  0.00    +0.081 A 
ATOM     13  N   LIG    1       -2.022   0.736   1.873  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -3.833  -2.361  -0.377  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -3.326   0.381   2.066  0.00  0.00    -0.242 N 
ATOM     16  H   LIG    1       -3.847   0.928   2.745  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1        0.197   1.698  -0.192  0.00  0.00    -0.033 A 
ATOM     18  C   LIG    1        0.933   2.815   0.224  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        1.026   3.914  -0.618  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1        0.444   3.981  -1.833  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1       -0.267   2.901  -2.218  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1       -0.415   1.756  -1.449  0.00  0.00    +0.024 A 
ENDBRANCH   9  17
BRANCH   8  23
ATOM     23  C   LIG    1        2.360  -0.523  -0.019  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1        2.819  -0.076  -1.265  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        4.173   0.166  -1.434  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1        5.093  -0.011  -0.464  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1        4.639  -0.438   0.731  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        3.304  -0.700   1.000  0.00  0.00    +0.025 A 
ENDBRANCH   8  23
TORSDOF 2