REMARK  Name = BDB058358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.937  -0.360   0.563  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.188   0.732   0.059  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -2.903   1.901  -0.249  0.00  0.00    +0.052 A 
ATOM      4  N   LIG    1       -2.016   2.805  -0.784  0.00  0.00    -0.360 N 
ATOM      5  H   LIG    1       -2.261   3.733  -1.103  0.00  0.00    +0.165 HD
ATOM      6  C   LIG    1       -0.761   2.270  -0.813  0.00  0.00    +0.095 A 
ATOM      7  C   LIG    1       -4.281   2.042  -0.024  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1       -4.962   0.959   0.532  0.00  0.00    +0.023 A 
ATOM      9 BR   LIG    1       -6.818   1.111   0.873  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1       -0.821   1.006  -0.262  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -4.308  -0.229   0.826  0.00  0.00    +0.061 A 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1        0.480   0.172  -0.083  0.00  0.00    +0.158 A 
ATOM     13  O   LIG    1        1.708   0.580  -0.546  0.00  0.00    -0.434 OA
ATOM     14  C   LIG    1        2.575  -0.416  -0.190  0.00  0.00    +0.244 A 
ATOM     15  N   LIG    1        2.005  -1.408   0.467  0.00  0.00    -0.216 NA
ATOM     16  C   LIG    1        0.683  -1.033   0.548  0.00  0.00    +0.161 A 
BRANCH  14  17
ATOM     17  C   LIG    1        3.967  -0.393  -0.492  0.00  0.00    +0.103 A 
ATOM     18  N   LIG    1        4.805  -1.411  -0.106  0.00  0.00    -0.345 N 
ATOM     19  H   LIG    1        4.511  -2.231   0.409  0.00  0.00    +0.167 HD
ATOM     20  C   LIG    1        6.075  -1.136  -0.522  0.00  0.00    +0.083 A 
ATOM     21 BR   LIG    1        7.584  -2.246  -0.226  0.00  0.00    -0.031 Br
ATOM     22  C   LIG    1        6.070   0.068  -1.185  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        4.731   0.541  -1.166  0.00  0.00    +0.033 A 
ENDBRANCH  14  17
ENDBRANCH  10  12
BRANCH   1  25
ATOM     24  C   LIG    1       -2.541  -2.460  -0.275  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -2.357  -1.581   0.838  0.00  0.00    -0.494 OA
ENDBRANCH   1  25
TORSDOF 3