REMARK  Name = BDB031384
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.713   0.383  -0.299  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.520  -0.479  -0.428  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.333   0.316  -1.022  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.003   1.524  -0.234  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -1.216   2.367  -0.127  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -2.426   1.615   0.476  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.444  -1.306   0.558  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -6.408  -0.019   0.137  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -5.177   0.477  -0.131  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1       -5.161   1.738  -0.599  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1       -3.950  -0.214   0.007  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1       -4.067  -1.543   0.436  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -5.317  -2.098   0.720  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1      -10.203  -1.308   0.955  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -8.841  -0.998   0.616  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -8.582  -0.051   0.347  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.800  -1.868   0.859  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -7.938  -3.006   1.293  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.093   2.299  -0.837  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.436   1.621  -0.709  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.115   1.622   0.516  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1        2.584   2.255   1.575  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        4.348   0.986   0.656  0.00  0.00    +0.087 A 
ATOM     24  N   LIG    1        5.009   1.005   1.913  0.00  0.00    -0.319 N 
ATOM     25  H   LIG    1        4.566   1.482   2.689  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        6.232   0.409   2.171  0.00  0.00    +0.260 A 
ATOM     27  C   LIG    1        6.818  -0.260   1.032  0.00  0.00    +0.085 A 
ATOM     28  C   LIG    1        6.199  -0.304  -0.234  0.00  0.00    +0.107 A 
ATOM     29  N   LIG    1        6.929  -0.979  -1.129  0.00  0.00    -0.171 NA
ATOM     30  N   LIG    1        8.015  -1.361  -0.420  0.00  0.00    -0.273 N 
ATOM     31  C   LIG    1        9.050  -2.128  -1.069  0.00  0.00    +0.172 C 
ATOM     32  C   LIG    1        7.995  -0.953   0.884  0.00  0.00    +0.122 A 
ATOM     33  O   LIG    1        6.758   0.456   3.277  0.00  0.00    -0.267 OA
ATOM     34  C   LIG    1        4.918   0.335  -0.454  0.00  0.00    +0.029 A 
ATOM     35  C   LIG    1        4.258   0.328  -1.683  0.00  0.00    +0.012 A 
ATOM     36  C   LIG    1        3.022   0.969  -1.809  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4