REMARK  Name = BDB040430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.513  -0.497  -1.664  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1        1.483  -1.357  -1.137  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.776  -0.902  -0.825  0.00  0.00    +0.022 A 
ATOM      4 BR   LIG    1        3.928  -2.226  -0.100  0.00  0.00    -0.050 Br
ATOM      5  C   LIG    1        3.132   0.441  -1.038  0.00  0.00    -0.022 A 
ATOM      6  C   LIG    1        2.130   1.298  -1.554  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.846   0.842  -1.860  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        4.477   1.103  -0.749  0.00  0.00    +0.107 C 
ATOM      9  C   LIG    1        5.724   0.278  -1.021  0.00  0.00    +0.227 C 
ATOM     10  O   LIG    1        6.009  -0.144  -2.140  0.00  0.00    -0.275 OA
ATOM     11  N   LIG    1        6.540   0.009   0.053  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        7.357  -0.548  -0.153  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        6.246   0.149   1.386  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1        6.979  -0.326   2.249  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.949   0.842   1.725  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1        4.533   1.794   0.620  0.00  0.00    +0.026 C 
ENDBRANCH   5   8
BRANCH   1  17
ATOM     17  C   LIG    1       -0.872  -1.001  -1.964  0.00  0.00    +0.139 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.935  -1.591  -0.781  0.00  0.00    +0.223 C 
ATOM     19  N   LIG    1       -1.663  -1.054  -0.758  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.451  -0.382  -0.031  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -3.394  -2.138  -1.781  0.00  0.00    -0.275 OA
BRANCH  18  23
ATOM     22  C   LIG    1       -2.958  -2.303   1.600  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -3.718  -1.460   0.552  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1       -5.121  -2.082   0.390  0.00  0.00    +0.025 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.885   0.025   0.934  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -3.556   0.524   2.207  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -3.717   1.880   2.510  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1       -4.212   2.748   1.547  0.00  0.00    +0.123 A 
ATOM     29  F   LIG    1       -4.362   4.046   1.841  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -4.554   2.287   0.285  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1       -4.395   0.933  -0.019  0.00  0.00    +0.007 A 
ENDBRANCH  23  25
ENDBRANCH  18  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5