REMARK  Name = BDB023680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.939  -1.048   0.516  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -1.072  -1.911   1.155  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.095  -1.612   2.205  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1        0.048  -2.928   2.971  0.00  0.00    +0.062 C 
ATOM      5  C   LIG    1       -0.191  -3.984   1.897  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.293  -3.346   1.056  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -2.875  -1.493  -0.154  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.267  -1.187   1.652  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        1.589  -1.202   0.315  0.00  0.00    -0.316 N 
ATOM     10  H   LIG    1        0.874  -1.011  -0.383  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1        2.901  -0.565   0.157  0.00  0.00    +0.134 C 
ATOM     12  C   LIG    1        3.860  -1.560  -0.498  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        3.296  -0.426   1.659  0.00  0.00    +0.265 C 
ATOM     14  O   LIG    1        4.379  -0.042   2.078  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1        2.213  -0.777   2.455  0.00  0.00    -0.166 NA
BRANCH  11  16
ATOM     16  C   LIG    1        2.743   0.782  -0.547  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1        2.314   1.926   0.158  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        2.148   3.157  -0.484  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        2.397   3.264  -1.847  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1        2.157   4.922  -2.719  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        2.810   2.152  -2.572  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        2.974   0.920  -1.928  0.00  0.00    +0.007 A 
ENDBRANCH  11  16
ENDBRANCH   3   8
BRANCH   5  23
ATOM     23  O   LIG    1       -0.585  -5.207   2.492  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -0.769  -5.840   1.777  0.00  0.00    +0.210 HD
ENDBRANCH   5  23
BRANCH   1  25
ATOM     25  C   LIG    1       -1.666   0.465   0.603  0.00  0.00    +0.146 C 
BRANCH  25  30
ATOM     26  C   LIG    1       -1.057   2.752  -3.955  0.00  0.00    +0.069 C 
ATOM     27  C   LIG    1       -1.049   1.871  -2.767  0.00  0.00    +0.081 A 
ATOM     28  N   LIG    1       -0.405   0.699  -2.797  0.00  0.00    -0.083 NA
ATOM     29  O   LIG    1       -0.592   0.137  -1.552  0.00  0.00    -0.359 OA
ATOM     30  C   LIG    1       -1.371   0.954  -0.786  0.00  0.00    +0.150 A 
ATOM     31  C   LIG    1       -1.666   2.084  -1.513  0.00  0.00    +0.071 A 
ENDBRANCH  25  30
BRANCH  25  32
ATOM     32  C   LIG    1       -2.802   1.246   1.314  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1       -2.846   0.915   2.809  0.00  0.00    +0.008 C 
ATOM     34  C   LIG    1       -4.199   1.052   0.711  0.00  0.00    +0.008 C 
ENDBRANCH  25  32
ENDBRANCH   1  25
TORSDOF 6