REMARK  Name = BDB058078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.668   0.835   2.594  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -1.832   1.403   1.484  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -2.309   1.512   0.169  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.545   2.158  -0.818  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -2.067   2.380  -2.209  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -0.241   2.573  -0.508  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.286   2.403   0.779  0.00  0.00    -0.041 A 
ATOM      8  C   LIG    1       -0.525   1.829   1.769  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   3   9
ATOM      9  O   LIG    1       -3.569   1.080  -0.147  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -3.728  -0.308  -0.525  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -4.487  -0.294  -1.861  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -2.438  -1.135  -0.685  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -4.667  -0.980   0.495  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -5.324  -0.441   1.372  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -4.777  -2.319   0.334  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -5.414  -2.580   1.033  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
BRANCH   7  17
ATOM     17  C   LIG    1        1.694   2.847   1.101  0.00  0.00    +0.094 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.522   1.610   1.161  0.00  0.00    +0.088 A 
ATOM     19  N   LIG    1        3.063   1.214   2.321  0.00  0.00    -0.082 NA
ATOM     20  O   LIG    1        3.765   0.059   2.033  0.00  0.00    -0.354 OA
ATOM     21  C   LIG    1        3.659  -0.235   0.705  0.00  0.00    +0.167 A 
ATOM     22  C   LIG    1        2.884   0.733   0.108  0.00  0.00    +0.076 A 
BRANCH  21  23
ATOM     23  C   LIG    1        4.348  -1.436   0.242  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        5.113  -2.223   1.118  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        5.770  -3.373   0.667  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1        5.668  -3.748  -0.669  0.00  0.00    +0.018 A 
ATOM     27 BR   LIG    1        6.553  -5.300  -1.282  0.00  0.00    -0.050 Br
ATOM     28  C   LIG    1        4.915  -2.984  -1.556  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1        4.259  -1.835  -1.101  0.00  0.00    +0.013 A 
ENDBRANCH  21  23
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 7