REMARK  Name = BDB028316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.137   0.056  -0.287  0.00  0.00    +0.087 A 
ATOM      2  C   LIG    1       -2.584   0.325  -0.493  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -3.484  -0.644  -0.049  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -4.864  -0.463  -0.208  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -5.346   0.697  -0.815  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -4.446   1.665  -1.258  0.00  0.00    +0.019 A 
ATOM      7 BR   LIG    1       -5.098   3.237  -2.082  0.00  0.00    -0.050 Br
ATOM      8  C   LIG    1       -2.969  -1.865   0.590  0.00  0.00    +0.272 A 
ATOM      9  O   LIG    1       -3.725  -2.740   0.994  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -1.604  -1.956   0.703  0.00  0.00    -0.242 N 
ATOM     11  H   LIG    1       -1.229  -2.791   1.141  0.00  0.00    +0.192 HD
ATOM     12  C   LIG    1       -3.068   1.489  -1.103  0.00  0.00    +0.025 A 
ATOM     13  N   LIG    1       -0.701  -1.031   0.281  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -0.132   1.109  -0.768  0.00  0.00    +0.174 C 
BRANCH  14  17
ATOM     15  O   LIG    1        1.514   1.626   1.625  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        1.886   0.971   0.669  0.00  0.00    +0.254 C 
ATOM     17  N   LIG    1        1.229   0.704  -0.499  0.00  0.00    -0.228 N 
ATOM     18  C   LIG    1        1.984  -0.048  -1.354  0.00  0.00    +0.254 C 
ATOM     19  O   LIG    1        1.713  -0.439  -2.474  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        3.251  -0.301  -0.670  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        4.365  -1.007  -1.080  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        5.442  -1.072  -0.191  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.381  -0.438   1.069  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.242   0.273   1.460  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        3.191   0.321   0.565  0.00  0.00    +0.049 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 2