REMARK  Name = BDB044004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.032   0.286  -1.616  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1       -1.874  -0.731  -1.020  0.00  0.00    -0.338 N 
ATOM      3  C   LIG    1       -3.123  -0.549  -0.461  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -3.657  -1.811  -0.294  0.00  0.00    +0.068 A 
ATOM      5  N   LIG    1       -4.944  -1.991   0.148  0.00  0.00    -0.320 N 
ATOM      6  H   LIG    1       -5.325  -2.922   0.243  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.778  -0.927   0.429  0.00  0.00    +0.257 A 
ATOM      8  C   LIG    1       -5.221   0.459   0.293  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -6.040   1.547   0.625  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -5.536   2.842   0.551  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.215   3.049   0.159  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.393   1.965  -0.175  0.00  0.00    +0.011 A 
ATOM     13  O   LIG    1       -6.936  -1.112   0.793  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -2.698  -2.772  -0.639  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -3.888   0.658  -0.134  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -1.556  -2.085  -1.018  0.00  0.00    +0.107 A 
ENDROOT
BRANCH  16  17
ATOM     17  C   LIG    1       -0.298  -2.660  -1.444  0.00  0.00    +0.263 C 
ATOM     18  N   LIG    1        0.838  -2.295  -0.728  0.00  0.00    -0.294 N 
ATOM     19  C   LIG    1        2.129  -2.784  -1.210  0.00  0.00    +0.123 C 
ATOM     20  C   LIG    1        3.325  -2.313  -0.358  0.00  0.00    +0.103 C 
ATOM     21  N   LIG    1        3.168  -0.909   0.046  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        1.951  -0.724   0.866  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1        0.836  -1.769   0.637  0.00  0.00    +0.123 C 
ATOM     24  O   LIG    1       -0.235  -3.422  -2.407  0.00  0.00    -0.268 OA
BRANCH  21  25
ATOM     25  C   LIG    1        4.373  -0.395   0.710  0.00  0.00    +0.119 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.339   1.103   0.926  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        4.415   1.644   2.217  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.389   3.026   2.409  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.290   3.882   1.313  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.216   3.358   0.024  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.242   1.976  -0.169  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH  16  17
TORSDOF 3