REMARK  Name = BDB059755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.244  -1.907  -0.670  0.00  0.00    +0.233 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.519  -2.549  -0.620  0.00  0.00    -0.492 OA
BRANCH   2   6
ATOM      3  C   LIG    1       -4.962  -0.650   0.737  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -3.755   0.036   0.836  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -2.572  -0.557   0.382  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -2.592  -1.849  -0.147  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -3.803  -2.545  -0.198  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -4.985  -1.955   0.256  0.00  0.00    +0.049 A 
BRANCH   3   9
ATOM      9  O   LIG    1       -6.108  -0.100   1.230  0.00  0.00    -0.475 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -6.210   2.072   0.078  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -6.878   0.711   0.313  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -7.203   0.031  -1.024  0.00  0.00    +0.067 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -8.210   0.944   1.042  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -8.734   2.020   1.293  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -8.837  -0.197   1.409  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -9.634   0.112   1.886  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.505  -2.087   0.652  0.00  0.00    +0.076 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.862  -1.432   0.625  0.00  0.00    -0.044 A 
ATOM     19  C   LIG    1        2.972  -2.119   0.118  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        4.225  -1.502   0.074  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        4.390  -0.186   0.524  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1        3.282   0.493   1.038  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        2.026  -0.119   1.084  0.00  0.00    +0.006 A 
BRANCH  21  24
ATOM     24  N   LIG    1        5.645   0.450   0.519  0.00  0.00    -0.149 NA
ATOM     25  N   LIG    1        6.081   0.557  -0.648  0.00  0.00    -0.149 NA
BRANCH  25  26
ATOM     26  C   LIG    1        7.331   1.202  -0.653  0.00  0.00    +0.086 A 
ATOM     27  C   LIG    1        7.478   2.401  -1.361  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        8.713   3.053  -1.411  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        9.812   2.500  -0.756  0.00  0.00    +0.018 A 
ATOM     30 BR   LIG    1       11.484   3.379  -0.821  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1        9.688   1.301  -0.057  0.00  0.00    +0.017 A 
ATOM     32  C   LIG    1        8.450   0.653  -0.011  0.00  0.00    +0.030 A 
ENDBRANCH  25  26
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10