REMARK  Name = BDB055087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.009  -1.176   0.759  0.00  0.00    +0.073 A 
ATOM      2  C   LIG    1        2.759  -0.257   0.021  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1        4.133  -0.323  -0.134  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1        4.598   0.708  -0.900  0.00  0.00    -0.207 NA
ATOM      5  C   LIG    1        3.531   1.405  -1.236  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1        4.889  -1.294   0.416  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        4.179  -2.206   1.120  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1        2.398   0.853  -0.695  0.00  0.00    -0.334 N 
ATOM      9  H   LIG    1        1.450   1.178  -0.798  0.00  0.00    +0.168 HD
ATOM     10  C   LIG    1        2.794  -2.202   1.317  0.00  0.00    +0.059 A 
ATOM     11 BR   LIG    1        2.063  -3.635   2.325  0.00  0.00    -0.047 Br
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1       -2.172  -1.504   1.672  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1       -1.397  -2.482   0.888  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1       -0.204  -1.925   0.072  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1        0.641  -0.988   0.850  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1        0.119  -0.599   2.172  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1       -1.396  -0.317   2.059  0.00  0.00    +0.103 C 
BRANCH  12  18
ATOM     18  C   LIG    1       -3.512  -1.218   1.145  0.00  0.00    +0.143 C 
BRANCH  18  23
ATOM     19  C   LIG    1       -3.893   2.144  -2.696  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1       -3.722   1.018  -1.763  0.00  0.00    +0.135 A 
ATOM     21  O   LIG    1       -3.425  -0.186  -2.318  0.00  0.00    -0.360 OA
ATOM     22  N   LIG    1       -3.314  -1.139  -1.323  0.00  0.00    -0.082 NA
ATOM     23  C   LIG    1       -3.530  -0.493  -0.168  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1       -3.803   0.878  -0.400  0.00  0.00    +0.072 A 
ENDBRANCH  18  23
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1        3.556   2.688  -2.131  0.00  0.00    +0.137 A 
ATOM     26  N   LIG    1        4.746   3.191  -2.637  0.00  0.00    -0.138 NA
ATOM     27  N   LIG    1        4.550   4.278  -3.366  0.00  0.00    -0.110 NA
ATOM     28  S   LIG    1        2.939   4.714  -3.462  0.00  0.00    +0.029 S 
ATOM     29  C   LIG    1        2.425   3.402  -2.481  0.00  0.00    +0.100 A 
ENDBRANCH   5  25
TORSDOF 4