REMARK  Name = BDB016436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.175   0.102   0.620  0.00  0.00    +0.161 A 
ATOM      2  N   LIG    1       -2.716  -0.223  -0.597  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -1.444   0.081  -0.888  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.580   0.721   0.011  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        0.765   1.051  -0.351  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        1.216   0.630  -1.608  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        0.360  -0.011  -2.500  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -1.165   0.972   1.251  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -0.959  -0.267  -2.136  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -2.440   0.681   1.582  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -5.632  -0.122   0.009  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -4.570  -0.247   0.938  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -4.875  -0.740   2.227  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -6.170  -1.122   2.583  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -7.198  -1.021   1.658  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.933  -0.526   0.383  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -4.652   1.568  -1.411  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -5.426   0.447  -1.380  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -6.606   0.832  -1.958  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -4.885  -0.441  -2.259  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  N   LIG    1        1.607   1.677   0.586  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1        1.107   2.397   1.102  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.953   2.134   0.240  0.00  0.00    +0.137 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.977   1.019   0.246  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1        5.056   1.068  -0.654  0.00  0.00    +0.054 A 
ATOM     26  C   LIG    1        5.994   0.057  -0.607  0.00  0.00    +0.167 A 
ATOM     27  O   LIG    1        7.087  -0.048  -1.409  0.00  0.00    -0.453 OA
ATOM     28  C   LIG    1        7.672  -1.269  -0.910  0.00  0.00    +0.466 C 
ATOM     29  O   LIG    1        6.930  -1.860   0.176  0.00  0.00    -0.453 OA
ATOM     30  C   LIG    1        5.905  -0.974   0.297  0.00  0.00    +0.166 A 
ATOM     31  C   LIG    1        4.874  -1.053   1.206  0.00  0.00    +0.050 A 
ATOM     32  C   LIG    1        3.907  -0.042   1.181  0.00  0.00    +0.009 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 5