REMARK  Name = BDB039353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.744  -0.043  -0.362  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.238  -0.337   0.892  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.821  -0.779   1.860  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.800  -0.056   0.846  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        1.858  -0.139   1.855  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        0.535   0.182   1.532  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        0.186   0.574   0.218  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        1.179   0.637  -0.773  0.00  0.00    +0.138 A 
ATOM      9  F   LIG    1        0.876   1.000  -2.026  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1        2.481   0.323  -0.452  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        3.691   0.294  -1.313  0.00  0.00    +0.147 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        8.780  -2.357   1.652  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        8.005  -1.724   0.939  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        7.320  -2.350  -0.069  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        7.444  -3.352  -0.111  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        6.333  -1.837  -0.870  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        5.642  -2.581  -1.568  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        6.103  -0.327  -0.814  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1        7.211   0.436  -0.091  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        7.741  -0.255   1.152  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   7  21
ATOM     21  C   LIG    1       -1.212   0.902  -0.104  0.00  0.00    +0.058 A 
ATOM     22  N   LIG    1       -1.643   2.214  -0.353  0.00  0.00    -0.298 N 
ATOM     23  C   LIG    1       -2.955   2.535  -0.667  0.00  0.00    +0.066 A 
ATOM     24  C   LIG    1       -2.975   3.901  -0.828  0.00  0.00    +0.138 A 
ATOM     25  N   LIG    1       -1.730   4.436  -0.617  0.00  0.00    -0.243 NA
ATOM     26  C   LIG    1       -3.905   1.483  -0.746  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1       -3.525   0.207  -0.508  0.00  0.00    -0.029 A 
ATOM     28  C   LIG    1       -0.958   3.408  -0.337  0.00  0.00    +0.204 A 
ATOM     29  C   LIG    1       -2.124  -0.092  -0.179  0.00  0.00    +0.031 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -4.462  -0.988  -0.562  0.00  0.00    +0.119 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -5.891  -0.675  -0.468  0.00  0.00    -0.298 NA
ATOM     32  C   LIG    1       -6.728  -1.822  -0.828  0.00  0.00    +0.085 C 
ATOM     33  C   LIG    1       -8.101  -1.426  -0.307  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1       -7.829  -0.435   0.819  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1       -6.313  -0.326   0.893  0.00  0.00    +0.085 C 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH   7  21
TORSDOF 4