REMARK  Name = BDB017197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.613  -0.185   0.059  0.00  0.00    +0.074 C 
ATOM      2  C   LIG    1       -0.522  -0.129  -0.983  0.00  0.00    +0.095 C 
ATOM      3  N   LIG    1       -1.814  -0.064  -0.288  0.00  0.00    -0.301 NA
ATOM      4  C   LIG    1       -2.098  -1.322   0.426  0.00  0.00    +0.084 C 
ATOM      5  C   LIG    1       -0.844  -2.105   0.838  0.00  0.00    +0.016 C 
ATOM      6  C   LIG    1        0.312  -1.179   1.195  0.00  0.00    +0.014 C 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.975  -1.141  -1.690  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1        1.935  -0.526  -0.625  0.00  0.00    +0.167 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.229  -0.117   0.014  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        4.420  -0.372  -0.685  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        5.657  -0.014  -0.142  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        5.711   0.600   1.106  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        7.231   1.042   1.779  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        4.538   0.858   1.813  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        3.299   0.500   1.270  0.00  0.00    +0.013 A 
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1       -2.894   0.308  -1.210  0.00  0.00    +0.088 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.147   0.643  -0.451  0.00  0.00    +0.003 C 
ATOM     18  C   LIG    1       -4.240   1.914   0.357  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -5.040   1.771  -0.908  0.00  0.00    +0.005 C 
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4