REMARK  Name = BDB004467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.096  -2.422  -1.936  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.455  -1.565  -1.151  0.00  0.00    +0.246 C 
ATOM      3  N   LIG    1        0.167  -0.370  -0.853  0.00  0.00    -0.258 N 
ATOM      4  C   LIG    1       -0.563   0.409   0.111  0.00  0.00    +0.185 C 
ATOM      5  C   LIG    1       -1.710  -0.508   0.396  0.00  0.00    -0.007 C 
ATOM      6  C   LIG    1       -2.795  -0.219   1.380  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -3.642  -1.470   1.675  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -3.942  -2.285   0.410  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -2.660  -2.731  -0.309  0.00  0.00    +0.040 C 
ATOM     10  C   LIG    1       -1.665  -1.635  -0.326  0.00  0.00    +0.018 C 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.994   1.779  -0.396  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -0.772   2.940   0.367  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.176   4.196  -0.096  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.811   4.308  -1.329  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -2.307   5.853  -1.899  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -2.048   3.175  -2.103  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.645   1.920  -1.639  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1        0.225   0.492   1.279  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1        0.727  -0.339   1.285  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1        1.401   0.067  -1.477  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.617  -0.290  -0.653  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        3.268   0.686   0.116  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        4.381   0.354   0.892  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        4.847  -0.967   0.901  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1        4.205  -1.953   0.143  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        3.093  -1.611  -0.629  0.00  0.00    +0.007 A 
BRANCH  24  27
ATOM     27  N   LIG    1        6.016  -1.320   1.716  0.00  0.00    +0.056 N 
ATOM     28  O   LIG    1        6.385  -2.503   1.715  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1        6.566  -0.414   2.360  0.00  0.00    -0.126 OA
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5