REMARK  Name = BDB001680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.642  -1.159   0.396  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1       -3.815   0.034   0.019  0.00  0.00    -0.033 A 
ATOM      3  C   LIG    1       -2.357   0.015   0.206  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -1.618   1.144  -0.163  0.00  0.00    +0.143 A 
ATOM      5  C   LIG    1       -0.233   1.208  -0.021  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1        0.429   0.100   0.493  0.00  0.00    +0.136 A 
ATOM      7  C   LIG    1       -0.271  -1.037   0.893  0.00  0.00    +0.047 A 
ATOM      8  O   LIG    1       -2.242   2.288  -0.697  0.00  0.00    -0.422 OA
ATOM      9  C   LIG    1       -3.612   2.334  -0.883  0.00  0.00    +0.337 A 
ATOM     10  O   LIG    1       -4.180   3.317  -1.344  0.00  0.00    -0.245 OA
ATOM     11  C   LIG    1       -1.661  -1.079   0.742  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -4.376   1.139  -0.496  0.00  0.00    +0.096 A 
ENDROOT
BRANCH   6  13
ATOM     13  O   LIG    1        1.810   0.167   0.677  0.00  0.00    -0.420 OA
BRANCH  13  14
ATOM     14  C   LIG    1        2.539  -0.459  -0.331  0.00  0.00    +0.380 C 
ATOM     15  O   LIG    1        2.063  -1.035  -1.304  0.00  0.00    -0.241 OA
BRANCH  14  16
ATOM     16  C   LIG    1        3.953  -0.332  -0.062  0.00  0.00    +0.212 A 
ATOM     17  O   LIG    1        4.388   0.323   1.062  0.00  0.00    -0.456 OA
ATOM     18  C   LIG    1        5.744   0.287   1.052  0.00  0.00    +0.196 A 
ATOM     19  C   LIG    1        6.201  -0.382  -0.058  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        5.050  -0.782  -0.776  0.00  0.00    +0.056 A 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   6  13
TORSDOF 3