REMARK  Name = BDB058334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.912  -0.207  -0.326  0.00  0.00    +0.135 C 
ATOM      2  N   LIG    1       -2.515   0.172  -0.033  0.00  0.00    -0.309 N 
ATOM      3  C   LIG    1       -1.873  -0.310   1.137  0.00  0.00    +0.018 C 
ATOM      4  C   LIG    1       -2.728  -0.959   2.214  0.00  0.00    +0.052 C 
ATOM      5  C   LIG    1       -2.091  -0.917   3.598  0.00  0.00    +0.014 C 
ATOM      6  C   LIG    1       -0.665  -1.426   3.547  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        0.137  -0.638   2.542  0.00  0.00    +0.162 C 
ATOM      8  O   LIG    1        1.341  -0.440   2.711  0.00  0.00    -0.292 OA
ATOM      9  C   LIG    1       -0.539  -0.160   1.304  0.00  0.00    +0.024 C 
ATOM     10  C   LIG    1        0.337   0.510   0.259  0.00  0.00    +0.092 C 
ATOM     11  C   LIG    1       -0.502   1.294  -0.739  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1        0.210   2.294  -1.590  0.00  0.00    +0.162 C 
ATOM     13  C   LIG    1       -0.549   2.937  -2.723  0.00  0.00    +0.080 C 
ATOM     14  C   LIG    1       -1.980   3.198  -2.305  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -2.656   1.906  -1.860  0.00  0.00    +0.052 C 
ATOM     16  O   LIG    1        1.394   2.561  -1.398  0.00  0.00    -0.292 OA
ATOM     17  C   LIG    1       -1.837   1.103  -0.862  0.00  0.00    +0.018 C 
ENDROOT
BRANCH  10  18
ATOM     18  C   LIG    1        1.237  -0.512  -0.468  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        2.651  -0.414  -0.447  0.00  0.00    +0.139 A 
ATOM     20  C   LIG    1        3.404  -1.236  -1.304  0.00  0.00    +0.061 A 
ATOM     21 BR   LIG    1        5.252  -0.982  -1.681  0.00  0.00    -0.046 Br
ATOM     22  C   LIG    1        2.781  -2.245  -2.050  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        1.404  -2.405  -1.990  0.00  0.00    +0.019 A 
ATOM     24 BR   LIG    1        0.565  -3.761  -3.003  0.00  0.00    -0.050 Br
ATOM     25  C   LIG    1        0.631  -1.537  -1.227  0.00  0.00    +0.023 A 
BRANCH  19  26
ATOM     26  O   LIG    1        3.147   0.547   0.389  0.00  0.00    -0.479 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.292   0.274   1.179  0.00  0.00    +0.349 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.568  -1.111   1.774  0.00  0.00    +0.343 C 
ATOM     29  O   LIG    1        5.661  -1.661   1.742  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1        3.509  -1.674   2.393  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1        2.716  -1.079   2.417  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  19  26
ENDBRANCH  10  18
TORSDOF 5