REMARK  Name = BDB031059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.625  -1.215  -1.092  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -1.979  -1.219  -0.807  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -2.476  -2.441  -1.256  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1       -3.868  -2.678  -1.096  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -4.647  -1.745  -0.518  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -4.108  -0.469  -0.035  0.00  0.00    -0.016 A 
ATOM      7  N   LIG    1       -1.528  -3.202  -1.754  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1       -2.784  -0.257  -0.190  0.00  0.00    +0.097 A 
ATOM      9  C   LIG    1       -0.379  -2.466  -1.627  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        2.289   0.462   0.185  0.00  0.00    +0.120 A 
ATOM     11  N   LIG    1        1.371  -0.482  -0.087  0.00  0.00    -0.231 NA
ATOM     12  C   LIG    1        0.300  -0.129  -0.830  0.00  0.00    +0.091 A 
ATOM     13  C   LIG    1        0.108   1.151  -1.334  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        1.055   2.120  -1.031  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        2.157   1.773  -0.254  0.00  0.00    +0.043 A 
BRANCH  10  16
ATOM     16  N   LIG    1        3.363   0.035   0.972  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        3.094  -0.938   1.155  0.00  0.00    +0.148 HD
BRANCH  16  20
ATOM     18  F   LIG    1        5.493  -2.180   0.223  0.00  0.00    -0.242 F 
ATOM     19  C   LIG    1        5.615  -0.992   0.867  0.00  0.00    +0.201 C 
ATOM     20  C   LIG    1        4.658   0.040   0.262  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        5.453   1.331   0.475  0.00  0.00    +0.106 C 
ATOM     22  N   LIG    1        6.841   0.967   0.172  0.00  0.00    -0.311 NA
ATOM     23  H   LIG    1        7.494   1.606   0.624  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1        7.011  -0.405   0.670  0.00  0.00    +0.119 C 
ENDBRANCH  16  20
ENDBRANCH  10  16
ENDBRANCH   1  12
BRANCH   6  25
ATOM     25  C   LIG    1       -5.057   0.477   0.615  0.00  0.00    +0.092 C 
ATOM     26  C   LIG    1       -5.073   1.907   0.075  0.00  0.00    +0.021 C 
ATOM     27  C   LIG    1       -6.214   0.989  -0.240  0.00  0.00    +0.021 C 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.288   0.266   2.099  0.00  0.00    +0.399 C 
ATOM     29  F   LIG    1       -5.820  -0.955   2.339  0.00  0.00    -0.170 F 
ATOM     30  F   LIG    1       -6.143   1.188   2.605  0.00  0.00    -0.170 F 
ATOM     31  F   LIG    1       -4.128   0.365   2.789  0.00  0.00    -0.170 F 
ENDBRANCH  25  28
ENDBRANCH   6  25
TORSDOF 5