REMARK  Name = BDB017568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.101  -1.377   0.101  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1        1.665  -0.867   1.268  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.970  -0.361   1.257  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        3.751  -0.314   0.081  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        5.088   0.348   0.190  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1        5.783   0.701  -0.967  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1        5.150   0.963  -1.717  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        6.954   1.569  -0.913  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1        7.796   1.212   0.303  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        6.950   1.287   1.575  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        5.590   0.661   1.403  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        4.792   0.479   2.639  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        5.241   0.742   3.751  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        3.210  -0.918  -1.080  0.00  0.00    -0.039 A 
ATOM     15  C   LIG    1        3.963  -1.105  -2.371  0.00  0.00    +0.044 C 
ATOM     16  N   LIG    1        3.508   0.055   2.480  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        2.974  -0.036   3.332  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1        1.885  -1.410  -1.057  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  19
ATOM     19  C   LIG    1       -0.310  -1.926   0.093  0.00  0.00    +0.119 C 
BRANCH  19  23
ATOM     20  N   LIG    1       -3.831   0.026  -0.188  0.00  0.00    -0.327 N 
ATOM     21  C   LIG    1       -2.764   0.756  -0.899  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -1.389   0.188  -0.482  0.00  0.00    +0.103 C 
ATOM     23  N   LIG    1       -1.192  -1.236  -0.861  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -2.490  -1.933  -1.003  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -3.627  -1.436  -0.079  0.00  0.00    +0.120 C 
BRANCH  20  28
ATOM     26  C   LIG    1       -5.677  -0.355   2.064  0.00  0.00    +0.046 C 
ATOM     27  C   LIG    1       -6.081   0.258   0.748  0.00  0.00    -0.028 A 
ATOM     28  C   LIG    1       -5.157   0.451  -0.307  0.00  0.00    +0.033 A 
ATOM     29  C   LIG    1       -5.623   1.085  -1.472  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -6.956   1.485  -1.614  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1       -7.864   1.262  -0.584  0.00  0.00    +0.052 A 
ATOM     32  C   LIG    1       -7.427   0.649   0.591  0.00  0.00    +0.024 A 
BRANCH  31  33
ATOM     33  C   LIG    1       -9.233   1.661  -0.726  0.00  0.00    +0.099 C 
ATOM     34  N   LIG    1      -10.342   1.982  -0.842  0.00  0.00    -0.191 NA
ENDBRANCH  31  33
ENDBRANCH  20  28
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 4