REMARK  Name = BDB050536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.781  -0.758   0.009  0.00  0.00    +0.163 A 
ATOM      2  C   LIG    1       -1.603   0.637  -0.059  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -0.319   1.177  -0.241  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1        0.801   0.324  -0.356  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        0.586  -1.054  -0.283  0.00  0.00    +0.052 A 
ATOM      6  N   LIG    1        1.812  -1.666  -0.419  0.00  0.00    -0.339 N 
ATOM      7  H   LIG    1        1.980  -2.660  -0.408  0.00  0.00    +0.167 HD
ATOM      8  C   LIG    1        2.792  -0.731  -0.575  0.00  0.00    +0.144 A 
ATOM      9  N   LIG    1        4.095  -1.015  -0.732  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1        4.840   0.096  -0.864  0.00  0.00    +0.225 A 
ATOM     11  N   LIG    1        4.425   1.372  -0.853  0.00  0.00    -0.223 NA
ATOM     12  C   LIG    1        3.107   1.573  -0.691  0.00  0.00    +0.142 A 
ATOM     13 CL   LIG    1        2.554   3.177  -0.674  0.00  0.00    -0.061 Cl
ATOM     14  C   LIG    1        2.208   0.526  -0.542  0.00  0.00    +0.063 A 
ATOM     15  C   LIG    1       -0.683  -1.622  -0.102  0.00  0.00    +0.075 A 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -3.309  -2.584   0.265  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -3.076  -1.185   0.189  0.00  0.00    -0.491 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  O   LIG    1       -2.745   1.394   0.061  0.00  0.00    -0.491 OA
ATOM     19  C   LIG    1       -2.613   2.807  -0.002  0.00  0.00    +0.277 C 
ENDBRANCH   2  18
TORSDOF 2