REMARK  Name = BDB001408
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.319  -0.325  -0.725  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.913   0.705   0.115  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.549   0.938   0.349  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        0.431   0.137  -0.246  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1        0.022  -0.885  -1.105  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -1.338  -1.113  -1.334  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.869   0.367  -0.048  0.00  0.00    +0.012 C 
ATOM      8  C   LIG    1        2.405   0.742   1.124  0.00  0.00    +0.052 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.851   1.011   1.335  0.00  0.00    +0.186 C 
ATOM     10  O   LIG    1        4.191   1.845   2.170  0.00  0.00    -0.287 OA
BRANCH   9  11
ATOM     11  C   LIG    1        4.882   0.284   0.555  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        4.756  -1.079   0.255  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        5.763  -1.730  -0.463  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        6.897  -1.024  -0.867  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        8.134  -1.829  -1.750  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        7.038   0.327  -0.552  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        6.034   0.980   0.167  0.00  0.00    +0.013 A 
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  O   LIG    1       -3.584  -0.684  -1.058  0.00  0.00    -0.475 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -4.955   1.353  -1.046  0.00  0.00    +0.067 C 
ATOM     20  C   LIG    1       -4.795  -0.093  -0.561  0.00  0.00    +0.200 C 
ATOM     21  C   LIG    1       -4.941  -0.277   0.954  0.00  0.00    +0.067 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -5.917  -0.934  -1.235  0.00  0.00    +0.348 C 
ATOM     23  O   LIG    1       -5.732  -1.881  -1.990  0.00  0.00    -0.247 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -7.184  -0.549  -0.930  0.00  0.00    -0.478 OA
ATOM     25  H   LIG    1       -7.270   0.208  -0.324  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7