REMARK  Name = BDB035998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.178   1.134   0.143  0.00  0.00    -0.035 A 
ATOM      2  C   LIG    1       -0.015   0.337   0.117  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.196   0.767   0.691  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        1.214   2.030   1.292  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.075   2.840   1.313  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.112   2.400   0.738  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.352  -0.061   0.651  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        3.604   0.228   1.206  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        4.000   1.188   1.841  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        4.482  -0.908   0.898  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        5.812  -1.090   1.230  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        6.425  -2.271   0.813  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.702  -3.233   0.082  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        4.348  -3.034  -0.249  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        3.756  -1.847   0.176  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        2.358  -1.355  -0.018  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        3.565  -4.054  -1.030  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        3.106  -3.554  -2.210  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        2.459  -4.477  -0.356  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        4.270  -5.174  -1.340  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.468   0.621  -0.498  0.00  0.00    +0.090 C 
BRANCH  21  24
ATOM     22  C   LIG    1       -3.083  -0.733   2.239  0.00  0.00    +0.151 C 
ATOM     23  N   LIG    1       -3.910   0.234   1.569  0.00  0.00    -0.320 N 
ATOM     24  C   LIG    1       -3.676   0.859   0.366  0.00  0.00    +0.141 A 
ATOM     25  N   LIG    1       -4.678   1.687   0.139  0.00  0.00    -0.134 NA
ATOM     26  N   LIG    1       -5.566   1.600   1.183  0.00  0.00    -0.138 NA
ATOM     27  C   LIG    1       -5.089   0.727   2.035  0.00  0.00    +0.224 A 
ENDBRANCH  21  24
BRANCH  21  28
ATOM     28  C   LIG    1       -2.531   1.159  -1.936  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -2.823   2.655  -2.254  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -3.530   2.169  -3.536  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -3.763   0.820  -2.825  0.00  0.00    +0.004 C 
ENDBRANCH  21  28
ENDBRANCH   1  21
TORSDOF 5