REMARK  Name = BDB050920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.560   0.059  -2.056  0.00  0.00    +0.121 C 
ATOM      2  C   LIG    1        0.385  -0.358  -0.961  0.00  0.00    -0.021 A 
ATOM      3  C   LIG    1        1.380   0.601  -0.759  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        2.350   0.433   0.218  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.341  -0.736   0.997  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.329  -1.698   0.784  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.194   1.787  -1.653  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.349  -1.514  -0.196  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        0.155   1.285  -2.669  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -3.011  -0.530  -1.858  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1       -1.915   0.274  -1.581  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1       -2.352   1.302  -0.783  0.00  0.00    +0.161 A 
ATOM     13  C   LIG    1       -3.709   1.072  -0.607  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -4.445   1.970   0.182  0.00  0.00    -0.020 A 
ATOM     15  C   LIG    1       -3.717   3.037   0.737  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -2.348   3.167   0.487  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1       -1.600   4.320   1.095  0.00  0.00    +0.065 C 
ATOM     18  C   LIG    1       -5.910   1.830   0.453  0.00  0.00    +0.046 C 
ATOM     19  N   LIG    1       -1.625   2.317  -0.280  0.00  0.00    -0.233 NA
ATOM     20  N   LIG    1       -4.099  -0.057  -1.278  0.00  0.00    -0.230 NA
BRANCH  10  22
ATOM     21  C   LIG    1       -4.266  -2.519  -2.748  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1       -2.946  -1.763  -2.705  0.00  0.00    +0.071 C 
ENDBRANCH  10  22
ENDBRANCH   1  11
BRANCH   5  23
ATOM     23  C   LIG    1        3.375  -0.957   2.020  0.00  0.00    -0.007 A 
ATOM     24  C   LIG    1        4.431  -1.891   1.878  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        5.338  -2.051   2.946  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        5.227  -1.301   4.118  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.200  -0.377   4.251  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        3.283  -0.209   3.214  0.00  0.00    +0.009 A 
BRANCH  24  29
ATOM     29  C   LIG    1        4.658  -2.716   0.685  0.00  0.00    +0.180 A 
ATOM     30  N   LIG    1        4.251  -2.433  -0.592  0.00  0.00    -0.239 N 
ATOM     31  H   LIG    1        3.727  -1.644  -0.947  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1        4.652  -3.389  -1.440  0.00  0.00    -0.046 NA
ATOM     33  N   LIG    1        5.316  -4.253  -0.691  0.00  0.00    -0.023 NA
ATOM     34  N   LIG    1        5.337  -3.850   0.621  0.00  0.00    -0.108 NA
ENDBRANCH  24  29
ENDBRANCH   5  23
TORSDOF 4