REMARK  Name = BDB003537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.590  -1.667   0.653  0.00  0.00    +0.042 C 
ATOM      2  C   LIG    1       -1.591  -0.602   1.142  0.00  0.00    +0.113 C 
ATOM      3  N   LIG    1       -0.792  -0.078  -0.013  0.00  0.00    -0.254 N 
ATOM      4  C   LIG    1        0.324  -0.801  -0.455  0.00  0.00    +0.242 C 
ATOM      5  O   LIG    1        0.410  -2.026  -0.339  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1       -1.398   0.965  -0.796  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1       -2.361   1.800  -0.213  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1       -2.927   2.865  -0.922  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -2.576   3.080  -2.251  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -1.677   2.220  -2.870  0.00  0.00    +0.002 A 
ATOM     11  N   LIG    1       -2.785   1.591   1.095  0.00  0.00    -0.282 N 
ATOM     12  H   LIG    1       -3.414   2.241   1.548  0.00  0.00    +0.155 HD
ATOM     13  C   LIG    1       -1.100   1.167  -2.152  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -2.415   0.513   1.844  0.00  0.00    +0.241 C 
ATOM     15  O   LIG    1       -2.872   0.409   2.985  0.00  0.00    -0.273 OA
ATOM     16  C   LIG    1       -0.699  -1.202   2.255  0.00  0.00    +0.042 C 
ENDROOT
BRANCH   4  17
ATOM     17  C   LIG    1        1.500   0.033  -0.997  0.00  0.00    +0.243 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.761  -0.534  -0.526  0.00  0.00    -0.219 N 
ATOM     19  C   LIG    1        3.139  -0.319   0.797  0.00  0.00    +0.288 A 
ATOM     20  O   LIG    1        2.479   0.374   1.570  0.00  0.00    -0.265 OA
ATOM     21  C   LIG    1        4.398  -0.985   1.234  0.00  0.00    +0.126 A 
ATOM     22 CL   LIG    1        4.878  -0.757   2.879  0.00  0.00    -0.076 Cl
ATOM     23  C   LIG    1        5.099  -1.717   0.367  0.00  0.00    +0.084 A 
ATOM     24 CL   LIG    1        6.564  -2.543   0.704  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        4.578  -1.812  -1.002  0.00  0.00    +0.154 A 
ATOM     26  N   LIG    1        3.494  -1.260  -1.437  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 2