REMARK  Name = BDB059758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.238  -1.842  -1.530  0.00  0.00    +0.233 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.655  -1.811  -2.112  0.00  0.00    +0.076 C 
BRANCH   2   6
ATOM      3  C   LIG    1       -4.546  -0.172   0.635  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -3.709   0.680  -0.081  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.783   0.150  -0.981  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.669  -1.237  -1.149  0.00  0.00    -0.044 A 
ATOM      7  C   LIG    1       -3.485  -2.083  -0.386  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -4.413  -1.551   0.513  0.00  0.00    +0.046 A 
BRANCH   3   9
ATOM      9  O   LIG    1       -5.409   0.357   1.551  0.00  0.00    -0.475 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -6.864   1.409  -0.203  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -6.760   0.596   1.095  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -7.547  -0.716   0.975  0.00  0.00    +0.067 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -7.392   1.439   2.214  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -8.416   1.192   2.834  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.710   2.575   2.491  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -7.205   2.972   3.237  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  O   LIG    1        0.320  -0.526  -1.588  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.581  -0.359  -1.090  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        2.394  -1.359  -0.558  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        3.674  -1.044  -0.084  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        4.162   0.268  -0.145  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1        3.336   1.265  -0.668  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        2.058   0.953  -1.141  0.00  0.00    +0.048 A 
BRANCH  21  24
ATOM     24  N   LIG    1        5.431   0.616   0.352  0.00  0.00    -0.149 NA
ATOM     25  N   LIG    1        6.330  -0.011  -0.251  0.00  0.00    -0.149 NA
BRANCH  25  26
ATOM     26  C   LIG    1        7.598   0.350   0.237  0.00  0.00    +0.086 A 
ATOM     27  C   LIG    1        8.533   0.912  -0.640  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        9.813   1.256  -0.195  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1       10.165   1.027   1.134  0.00  0.00    +0.018 A 
ATOM     30 BR   LIG    1       11.894   1.490   1.740  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1        9.252   0.456   2.019  0.00  0.00    +0.017 A 
ATOM     32  C   LIG    1        7.974   0.115   1.568  0.00  0.00    +0.030 A 
ENDBRANCH  25  26
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10