REMARK  Name = BDB017167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.491   0.265  -1.313  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        4.449  -0.666  -1.351  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        3.197  -0.383  -0.783  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        2.989   0.866  -0.162  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.736   1.152   0.407  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.691   0.216   0.373  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        0.903  -1.017  -0.249  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        4.039   1.796  -0.129  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.146  -1.313  -0.819  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.282   1.498  -0.700  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        7.744   0.759  -1.893  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        6.651  -0.151  -1.907  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1       -0.614   0.601   1.000  0.00  0.00    +0.167 C 
ATOM     14  O   LIG    1       -0.792   1.777   1.319  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -1.703  -0.449   1.201  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -2.631  -0.411  -0.025  0.00  0.00    +0.096 C 
ATOM     17  N   LIG    1       -3.885  -1.110   0.270  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -4.667  -0.409   1.303  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1       -3.821   0.429   2.272  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -2.461  -0.211   2.522  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -4.669  -1.363  -0.955  0.00  0.00    +0.118 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.899  -2.257  -0.761  0.00  0.00    +0.228 C 
ATOM     23  F   LIG    1       -5.513  -3.503  -0.374  0.00  0.00    -0.248 F 
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
TORSDOF 5