REMARK  Name = BDB020800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.205   0.308   0.436  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -0.492   1.361  -0.173  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -1.852   1.360  -0.365  0.00  0.00    +0.172 A 
ATOM      4  N   LIG    1       -2.207   2.491  -0.944  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -1.067   3.234  -1.158  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.571   0.213   0.074  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -1.825  -0.766   0.634  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -0.050   2.540  -0.700  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1       -0.458  -0.746   0.828  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -4.015   0.052  -0.070  0.00  0.00    -0.037 C 
ATOM     11  C   LIG    1       -4.592   0.149  -1.466  0.00  0.00    +0.050 C 
ATOM     12  C   LIG    1       -6.118   0.324  -1.456  0.00  0.00    +0.086 C 
ATOM     13  N   LIG    1       -6.756  -0.605  -0.519  0.00  0.00    -0.312 NA
ATOM     14  H   LIG    1       -7.767  -0.492  -0.567  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -6.314  -0.341   0.851  0.00  0.00    +0.108 C 
ATOM     16  C   LIG    1       -4.831  -0.157   0.982  0.00  0.00    -0.008 C 
ENDBRANCH   6  10
BRANCH   1  17
ATOM     17  N   LIG    1        1.572   0.415   0.597  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        1.965   1.348   0.647  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.303  -0.543   1.409  0.00  0.00    +0.143 C 
BRANCH  19  22
ATOM     20  F   LIG    1        4.024   0.662   3.316  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        4.577   0.252   2.166  0.00  0.00    +0.129 A 
ATOM     22  C   LIG    1        3.776  -0.357   1.191  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        4.408  -0.745   0.013  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        3.841  -1.337  -1.224  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1        5.140  -1.751  -1.916  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1        6.228  -0.951  -1.397  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        5.767  -0.530  -0.177  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1        6.557   0.075   0.779  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        5.949   0.467   1.971  0.00  0.00    +0.042 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4