REMARK  Name = BDB042615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.943   0.883   0.502  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -0.020   2.974   1.186  0.00  0.00    -0.276 OA
ATOM      3  C   LIG    1       -0.212   1.836   0.757  0.00  0.00    +0.216 C 
ATOM      4  N   LIG    1       -1.486   1.357   0.488  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -2.628   2.265   0.650  0.00  0.00    +0.126 C 
ATOM      6  C   LIG    1       -3.786   1.933  -0.298  0.00  0.00    +0.126 C 
ATOM      7  N   LIG    1       -4.218   0.538  -0.198  0.00  0.00    -0.298 N 
ATOM      8  C   LIG    1       -5.517   0.221  -0.560  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -6.305   1.032  -1.033  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.233  -0.431   0.288  0.00  0.00    +0.126 C 
ATOM     11  C   LIG    1       -1.786   0.001   0.009  0.00  0.00    +0.126 C 
BRANCH   8  12
ATOM     12  C   LIG    1       -5.953  -1.190  -0.368  0.00  0.00    +0.075 C 
ATOM     13  C   LIG    1       -6.157  -1.755   1.020  0.00  0.00    +0.013 C 
ATOM     14  C   LIG    1       -7.346  -1.478   0.151  0.00  0.00    +0.013 C 
ENDBRANCH   8  12
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1        2.295   1.574   0.687  0.00  0.00    +0.062 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.443   0.643   0.382  0.00  0.00    +0.020 A 
ATOM     17  N   LIG    1        3.712  -0.343   1.305  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1        3.162  -0.410   2.153  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1        4.720  -1.276   1.195  0.00  0.00    +0.257 A 
ATOM     20  O   LIG    1        4.901  -2.135   2.050  0.00  0.00    -0.267 OA
ATOM     21  C   LIG    1        5.569  -1.186  -0.017  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        5.302  -0.176  -0.956  0.00  0.00    -0.011 A 
ATOM     23  C   LIG    1        6.100  -0.080  -2.102  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        7.146  -0.985  -2.300  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        7.391  -1.979  -1.356  0.00  0.00    +0.124 A 
ATOM     26  F   LIG    1        8.397  -2.841  -1.558  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        6.614  -2.092  -0.212  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1        4.198   0.758  -0.723  0.00  0.00    +0.030 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4