REMARK  Name = BDB050698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.871  -1.376  -0.682  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.114  -2.354  -1.832  0.00  0.00    +0.346 C 
ATOM      3  O   LIG    1        1.314  -2.581  -2.727  0.00  0.00    -0.247 OA
BRANCH   2   4
ATOM      4  O   LIG    1        3.318  -2.976  -1.766  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1        3.822  -2.667  -0.982  0.00  0.00    +0.295 HD
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1   6
ATOM      6  C   LIG    1        0.761  -1.933   0.223  0.00  0.00    +0.091 C 
BRANCH   6  10
ATOM      7  C   LIG    1       -2.882   0.366  -0.196  0.00  0.00    -0.047 A 
ATOM      8  C   LIG    1       -2.603  -0.690  -1.072  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -1.431  -1.437  -0.933  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -0.521  -1.145   0.090  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1       -0.799  -0.089   0.967  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -1.972   0.656   0.828  0.00  0.00    +0.004 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -4.157   1.159  -0.337  0.00  0.00    +0.035 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -6.578   1.350   0.331  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -5.297   0.545   0.477  0.00  0.00    +0.001 C 
ENDBRANCH  13  15
ENDBRANCH   7  13
ENDBRANCH   6  10
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  O   LIG    1        3.070  -1.269   0.113  0.00  0.00    -0.477 OA
BRANCH  16  17
ATOM     17  C   LIG    1        3.825  -0.141  -0.066  0.00  0.00    +0.122 A 
ATOM     18  C   LIG    1        4.509   0.306   1.067  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        5.334   1.430   0.995  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        5.486   2.097  -0.218  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1        6.503   3.480  -0.313  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1        4.825   1.642  -1.358  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        3.998   0.517  -1.285  0.00  0.00    +0.047 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8