REMARK  Name = BDB047128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.089   0.140  -0.093  0.00  0.00    +0.237 A 
ATOM      2  N   LIG    1        1.398   0.456  -0.038  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1        2.298  -0.511   0.254  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1        1.862  -1.804   0.515  0.00  0.00    +0.181 A 
ATOM      5  F   LIG    1        2.696  -2.797   0.856  0.00  0.00    -0.200 F 
ATOM      6  C   LIG    1        0.513  -2.042   0.435  0.00  0.00    +0.156 A 
ATOM      7  N   LIG    1       -0.390  -1.097   0.125  0.00  0.00    -0.219 NA
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        3.640  -0.150   0.318  0.00  0.00    -0.308 N 
ATOM      9  C   LIG    1        3.975   1.271   0.149  0.00  0.00    +0.134 C 
ATOM     10  C   LIG    1        5.462   1.482   0.476  0.00  0.00    +0.178 C 
ATOM     11  O   LIG    1        6.360   0.725  -0.350  0.00  0.00    -0.377 OA
ATOM     12  C   LIG    1        5.748  -0.421  -0.956  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1        4.689  -1.105  -0.073  0.00  0.00    +0.134 C 
ENDBRANCH   3   8
BRANCH   1  14
ATOM     14  N   LIG    1       -0.784   1.206  -0.422  0.00  0.00    -0.205 N 
ATOM     15  H   LIG    1       -0.215   2.031  -0.241  0.00  0.00    +0.177 HD
BRANCH  14  17
ATOM     16  C   LIG    1       -2.910   0.508  -0.446  0.00  0.00    +0.142 C 
ATOM     17  N   LIG    1       -2.024   1.234   0.169  0.00  0.00    -0.187 NA
BRANCH  16  19
ATOM     18  C   LIG    1       -5.242  -0.350  -0.674  0.00  0.00    +0.125 A 
ATOM     19  C   LIG    1       -4.300   0.395   0.042  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1       -4.679   1.034   1.230  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -5.991   0.926   1.694  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -6.926   0.182   0.976  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -6.554  -0.457  -0.209  0.00  0.00    +0.046 A 
BRANCH  18  24
ATOM     24  O   LIG    1       -4.885  -0.974  -1.837  0.00  0.00    -0.506 OA
ATOM     25  H   LIG    1       -5.653  -1.453  -2.191  0.00  0.00    +0.292 HD
ENDBRANCH  18  24
ENDBRANCH  16  19
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 5