REMARK  Name = BDB048284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.668   3.095  -0.512  0.00  0.00    -0.246 OA
ATOM      2  C   LIG    1       -1.351   2.091  -0.368  0.00  0.00    +0.334 A 
ATOM      3  N   LIG    1       -0.917   0.767  -0.145  0.00  0.00    -0.230 N 
ATOM      4  C   LIG    1       -2.031  -0.075  -0.038  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -3.166   0.730  -0.194  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1       -4.447   0.228  -0.145  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -4.577  -1.147   0.072  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.441  -1.967   0.231  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.148  -1.432   0.177  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -2.756   2.046  -0.395  0.00  0.00    -0.306 N 
ATOM     11  H   LIG    1       -3.345   2.850  -0.538  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.394   0.382  -0.051  0.00  0.00    +0.218 A 
ATOM     13  N   LIG    1        1.418   1.294  -0.173  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1        1.279   2.284  -0.334  0.00  0.00    +0.169 HD
ATOM     15  C   LIG    1        2.612   0.638  -0.038  0.00  0.00    +0.068 A 
ATOM     16  C   LIG    1        2.246  -0.687   0.165  0.00  0.00    +0.092 A 
ATOM     17  C   LIG    1        3.242  -1.657   0.344  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1        4.577  -1.242   0.310  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.921   0.097   0.104  0.00  0.00    +0.017 A 
ATOM     20 BR   LIG    1        5.949  -2.525   0.549  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        3.937   1.075  -0.076  0.00  0.00    +0.029 A 
ATOM     22  N   LIG    1        0.880  -0.826   0.154  0.00  0.00    -0.212 NA
ENDBRANCH   3  12
TORSDOF 1