REMARK  Name = BDB053269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.656  -1.316  -1.452  0.00  0.00    +0.092 A 
ATOM      2  C   LIG    1        1.788  -0.595  -0.992  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1        2.767  -0.892  -1.920  0.00  0.00    +0.171 A 
ATOM      4  C   LIG    1        4.066  -0.395  -1.873  0.00  0.00    +0.095 A 
ATOM      5  C   LIG    1        4.385   0.451  -0.801  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        3.412   0.784   0.145  0.00  0.00    +0.046 A 
ATOM      7  O   LIG    1        2.257  -1.728  -2.863  0.00  0.00    -0.354 OA
ATOM      8  C   LIG    1        2.106   0.268   0.067  0.00  0.00    +0.017 A 
ATOM      9  N   LIG    1        0.928  -1.999  -2.573  0.00  0.00    -0.082 NA
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -0.706  -1.372  -0.856  0.00  0.00    +0.066 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -1.629  -0.306  -1.445  0.00  0.00    +0.065 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -4.164  -0.849  -1.367  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1       -2.985  -0.360  -0.844  0.00  0.00    +0.083 A 
ATOM     14  N   LIG    1       -3.208   0.108   0.432  0.00  0.00    -0.214 NA
ATOM     15  C   LIG    1       -4.496  -0.101   0.637  0.00  0.00    +0.228 A 
ATOM     16  O   LIG    1       -5.138  -0.688  -0.423  0.00  0.00    -0.440 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -5.304   0.198   1.816  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1       -6.670  -0.114   1.880  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1       -7.419   0.185   3.023  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -6.810   0.799   4.115  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.455   1.116   4.068  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -4.707   0.817   2.926  0.00  0.00    +0.013 A 
ENDBRANCH  15  17
BRANCH  12  24
ATOM     23  C   LIG    1       -4.322  -2.973  -2.637  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -4.562  -1.472  -2.649  0.00  0.00    +0.073 C 
ENDBRANCH  12  24
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   5  25
ATOM     25  O   LIG    1        5.676   0.895  -0.828  0.00  0.00    -0.475 OA
BRANCH  25  26
ATOM     26  C   LIG    1        6.345   1.412   0.330  0.00  0.00    +0.200 C 
ATOM     27  C   LIG    1        7.793   1.615  -0.157  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1        6.363   0.364   1.457  0.00  0.00    +0.067 C 
BRANCH  26  29
ATOM     29  C   LIG    1        5.859   2.804   0.807  0.00  0.00    +0.348 C 
ATOM     30  O   LIG    1        5.052   3.503   0.210  0.00  0.00    -0.247 OA
BRANCH  29  31
ATOM     31  O   LIG    1        6.416   3.238   1.966  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1        7.090   2.657   2.363  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 9