REMARK  Name = BDB057177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.785   0.532   0.150  0.00  0.00    +0.146 A 
ATOM      2  N   LIG    1        2.620   1.615   0.263  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1        2.339   2.546   0.526  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        3.899   1.214  -0.032  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        3.777  -0.139  -0.352  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        4.937  -0.851  -0.712  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        6.176  -0.187  -0.730  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        6.245   1.161  -0.401  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1        7.436   1.775  -0.429  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        5.116   1.901  -0.047  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1        2.467  -0.536  -0.211  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -3.396  -0.640   0.656  0.00  0.00    +0.093 C 
ATOM     13  C   LIG    1       -2.030   0.016   0.612  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -1.777   1.333   0.948  0.00  0.00    -0.034 A 
ATOM     15  C   LIG    1       -0.395   1.662   0.795  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        0.370   0.579   0.398  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -2.864   2.227   1.460  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -4.251   1.558   1.360  0.00  0.00    +0.086 C 
ATOM     19  S   LIG    1       -0.599  -0.830   0.244  0.00  0.00    -0.088 S 
ATOM     20  N   LIG    1       -4.237   0.107   1.637  0.00  0.00    -0.308 NA
ATOM     21  H   LIG    1       -3.823  -0.041   2.558  0.00  0.00    +0.123 HD
BRANCH  12  23
ATOM     22  C   LIG    1       -5.530  -1.262  -0.614  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -4.091  -0.735  -0.738  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -3.337  -1.643  -1.719  0.00  0.00    +0.009 C 
ENDBRANCH  12  23
ENDBRANCH   1  16
BRANCH   6  25
ATOM     25  C   LIG    1        4.859  -2.272  -1.090  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        4.047  -2.698  -1.897  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1        5.779  -3.098  -0.501  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1        6.273  -2.826   0.337  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        5.634  -4.088  -0.658  0.00  0.00    +0.145 HD
ENDBRANCH   6  25
TORSDOF 3