REMARK  Name = BDB028512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.218   1.338   1.775  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.159   1.347   3.213  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1       -0.758   0.625   3.490  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        0.840   0.352   1.255  0.00  0.00    +0.138 C 
BRANCH   4  15
ATOM      5  O   LIG    1        3.157   2.760   0.984  0.00  0.00    -0.253 OA
ATOM      6  C   LIG    1        2.860   1.610   0.673  0.00  0.00    +0.302 C 
ATOM      7  N   LIG    1        3.198   1.020  -0.536  0.00  0.00    -0.285 N 
ATOM      8  C   LIG    1        3.904   1.841  -1.524  0.00  0.00    +0.115 C 
ATOM      9  C   LIG    1        5.342   1.369  -1.670  0.00  0.00    +0.094 C 
ATOM     10  C   LIG    1        5.374  -0.089  -2.099  0.00  0.00    +0.252 C 
ATOM     11  F   LIG    1        6.349  -0.729  -1.397  0.00  0.00    -0.206 F 
ATOM     12  F   LIG    1        5.746  -0.167  -3.406  0.00  0.00    -0.206 F 
ATOM     13  C   LIG    1        4.066  -0.841  -1.929  0.00  0.00    +0.094 C 
ATOM     14  C   LIG    1        3.400  -0.432  -0.628  0.00  0.00    +0.115 C 
ATOM     15  N   LIG    1        2.189   0.823   1.566  0.00  0.00    -0.297 N 
ATOM     16  H   LIG    1        2.189   1.284   2.472  0.00  0.00    +0.150 HD
ENDBRANCH   4  15
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -1.661   1.002   1.339  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.159  -0.225   2.004  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -2.099  -1.408   1.117  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -3.168  -1.468   0.048  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -4.374  -0.760   0.191  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -5.361  -0.859  -0.799  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.161  -1.674  -1.913  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.975  -2.391  -2.050  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.584   0.151   1.373  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -2.985  -2.294  -1.073  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.549  -0.075   2.483  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5