REMARK  Name = BDB000681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.096  -0.112   0.053  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.286  -1.345  -0.745  0.00  0.00    +0.350 A 
ATOM      3  O   LIG    1       -0.669  -1.968  -1.204  0.00  0.00    -0.244 OA
ATOM      4  O   LIG    1        1.588  -1.782  -0.963  0.00  0.00    -0.422 OA
ATOM      5  C   LIG    1        2.692  -1.084  -0.445  0.00  0.00    +0.139 A 
ATOM      6  C   LIG    1        2.512   0.072   0.303  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        3.635   0.737   0.802  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        4.928   0.246   0.546  0.00  0.00    -0.032 A 
ATOM      9  C   LIG    1        5.077  -0.931  -0.206  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        3.958  -1.597  -0.706  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        1.160   0.548   0.543  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  13
ATOM     12  O   LIG    1       -1.345   1.502   1.016  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -1.260   0.468   0.357  0.00  0.00    +0.255 C 
ATOM     14  N   LIG    1       -2.325  -0.243  -0.153  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1       -2.105  -1.086  -0.685  0.00  0.00    +0.155 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -3.701   0.046  -0.035  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -4.218   1.146   0.651  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -5.600   1.354   0.717  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -6.476   0.465   0.098  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.971  -0.635  -0.589  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -4.591  -0.843  -0.654  0.00  0.00    +0.023 A 
ENDBRANCH  14  16
ENDBRANCH   1  13
BRANCH   8  22
ATOM     22  C   LIG    1        6.134   0.954   1.101  0.00  0.00    +0.143 C 
ATOM     23 CL   LIG    1        6.515   0.345   2.723  0.00  0.00    -0.120 Cl
ENDBRANCH   8  22
TORSDOF 3