REMARK  Name = BDB006656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.844   2.503   2.243  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.567   1.119   1.796  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.411   0.598   1.211  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.045   0.941   0.774  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        0.444  -0.390   0.272  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.566  -1.393   0.400  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -0.535  -2.574   0.103  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.671  -0.719   0.987  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -2.928  -0.967   1.409  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -3.504   0.159   1.920  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.749  -0.580  -0.192  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.677   0.399  -0.168  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        3.974   0.223  -0.624  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1        4.891   1.351  -0.554  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        4.429  -0.986  -1.142  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        5.573  -1.179  -1.546  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        3.419  -2.086  -1.188  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        3.874  -3.393  -1.756  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        2.173  -1.861  -0.737  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1       -0.203   2.019  -0.282  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -0.596   1.731  -1.602  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -0.733   2.752  -2.547  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -0.483   4.071  -2.182  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -0.652   5.328  -3.345  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.098   4.381  -0.881  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.040   3.361   0.065  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
BRANCH   9  27
ATOM     27  C   LIG    1       -3.690  -2.208   1.388  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -3.065  -3.284   2.273  0.00  0.00    +0.032 C 
ATOM     29  C   LIG    1       -3.938  -2.708  -0.034  0.00  0.00    +0.032 C 
ENDBRANCH   9  27
TORSDOF 3