REMARK  Name = BDB056299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.029  -0.763  -0.556  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.626  -2.077  -0.276  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -0.705  -2.453  -0.472  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -1.636  -1.512  -0.926  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -1.236  -0.203  -1.217  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        0.093   0.174  -1.017  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.030  -1.944  -1.161  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1       -4.071  -1.237  -0.565  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1       -3.937  -0.382   0.610  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.735   0.911   0.440  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1       -6.088   0.709  -0.287  0.00  0.00    +0.009 C 
ATOM     12  C   LIG    1       -6.503  -0.773  -0.251  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1       -5.430  -1.652  -0.897  0.00  0.00    +0.108 C 
ATOM     14  O   LIG    1       -3.203  -2.911  -1.901  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1       -7.165   1.678   0.244  0.00  0.00    +0.057 C 
ATOM     16  N   LIG    1       -7.594   1.344   1.611  0.00  0.00    -0.313 NA
ATOM     17  H   LIG    1       -7.013   1.819   2.300  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -8.982   1.781   1.727  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1       -9.567   1.381   0.390  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -8.452   1.696  -0.592  0.00  0.00    +0.020 C 
ENDBRANCH  11  15
ENDBRANCH   4   7
BRANCH   1  23
ATOM     21  N   LIG    1        3.393  -1.253  -0.707  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        3.067  -2.098  -1.157  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1        2.436  -0.319  -0.355  0.00  0.00    +0.248 C 
ATOM     24  O   LIG    1        2.625   0.816   0.065  0.00  0.00    -0.270 OA
BRANCH  21  31
ATOM     25  N   LIG    1        9.078   0.646   0.136  0.00  0.00    -0.294 NA
ATOM     26  C   LIG    1        7.727   1.025   0.615  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        6.816  -0.011   0.036  0.00  0.00    -0.027 A 
ATOM     28  C   LIG    1        7.575  -1.072  -0.451  0.00  0.00    -0.029 A 
ATOM     29  C   LIG    1        6.970  -2.179  -1.013  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        5.572  -2.199  -1.086  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1        4.794  -1.127  -0.595  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1        5.430  -0.023  -0.020  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1        9.024  -0.792  -0.215  0.00  0.00    +0.120 C 
BRANCH  25  35
ATOM     34  C   LIG    1       10.313   2.453   1.291  0.00  0.00    +0.020 C 
ATOM     35  C   LIG    1       10.150   0.953   1.077  0.00  0.00    +0.082 C 
ENDBRANCH  25  35
ENDBRANCH  21  31
ENDBRANCH   1  23
TORSDOF 5