REMARK  Name = BDB054646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.312  -0.748  -0.398  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -0.902   0.386   0.233  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -2.120   0.096   0.712  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -2.374  -1.176   0.324  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -1.304  -1.710  -0.347  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -0.361   1.733   0.401  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        0.172   2.432  -0.691  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        0.721   3.703  -0.512  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        0.731   4.288   0.753  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        0.186   3.607   1.841  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -0.362   2.335   1.666  0.00  0.00    +0.010 A 
ENDBRANCH   2   6
BRANCH   4  12
ATOM     12  C   LIG    1       -3.618  -1.798   0.630  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -4.593  -1.077   1.337  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -5.820  -1.669   1.648  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.081  -2.980   1.257  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.118  -3.702   0.554  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -3.888  -3.117   0.239  0.00  0.00    +0.028 A 
ENDBRANCH   4  12
BRANCH   1  19
ATOM     18  O   LIG    1        1.132  -1.808  -1.887  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1        0.997  -0.964  -1.009  0.00  0.00    +0.252 C 
ATOM     20  N   LIG    1        2.010  -0.189  -0.478  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        1.771   0.396   0.311  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.359  -0.129  -0.884  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        3.894  -0.866  -1.943  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        5.247  -0.740  -2.283  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        6.066   0.126  -1.566  0.00  0.00    +0.018 A 
ATOM     26 BR   LIG    1        7.891   0.296  -2.028  0.00  0.00    -0.050 Br
ATOM     27  C   LIG    1        5.547   0.870  -0.510  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        4.197   0.741  -0.172  0.00  0.00    +0.024 A 
ENDBRANCH  20  22
ENDBRANCH   1  19
TORSDOF 4