REMARK  Name = BDB049256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.062   0.819  -0.958  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -0.804   0.403   0.100  0.00  0.00    +0.124 A 
ATOM      3  N   LIG    1       -0.083  -0.059   1.225  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1        1.300  -0.178   1.289  0.00  0.00    +0.170 A 
ATOM      5  N   LIG    1        1.643  -0.656   2.469  0.00  0.00    -0.129 NA
ATOM      6  N   LIG    1        0.501  -0.815   3.214  0.00  0.00    -0.137 NA
ATOM      7  C   LIG    1        2.071   0.218   0.150  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -0.512  -0.434   2.472  0.00  0.00    +0.231 A 
ATOM      9  C   LIG    1        1.397   0.717  -0.912  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        3.553   0.154   0.093  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        4.230  -0.414  -0.996  0.00  0.00    +0.131 A 
ATOM     12  F   LIG    1        3.542  -0.918  -2.033  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        5.621  -0.478  -1.037  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        6.368   0.024   0.026  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        5.718   0.583   1.125  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        4.321   0.645   1.161  0.00  0.00    +0.011 A 
ENDBRANCH   7  10
BRANCH   1  18
ATOM     17  N   LIG    1       -1.146   1.756  -3.112  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1       -0.656   1.335  -2.149  0.00  0.00    +0.103 C 
ENDBRANCH   1  18
BRANCH   2  19
ATOM     19  N   LIG    1       -2.206   0.437   0.176  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1       -2.615   1.045  -0.541  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.000  -0.806   0.160  0.00  0.00    +0.177 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.466  -0.555   0.163  0.00  0.00    +0.122 A 
ATOM     23  O   LIG    1       -4.974   0.059  -0.946  0.00  0.00    -0.466 OA
ATOM     24  C   LIG    1       -6.309   0.202  -0.744  0.00  0.00    +0.195 A 
ATOM     25  C   LIG    1       -6.667  -0.310   0.481  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1       -5.476  -0.798   1.071  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5