REMARK  Name = BDB047969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.962   0.138   0.661  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -2.225   0.094  -0.018  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -3.209   0.119   0.976  0.00  0.00    +0.085 A 
ATOM      4  C   LIG    1       -4.576   0.082   0.695  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1       -4.996   0.026  -0.627  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -4.055   0.013  -1.647  0.00  0.00    +0.004 A 
ATOM      7  F   LIG    1       -5.476   0.105   1.687  0.00  0.00    -0.203 F 
ATOM      8  N   LIG    1       -2.580   0.188   2.192  0.00  0.00    -0.323 N 
ATOM      9  H   LIG    1       -3.075   0.223   3.071  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -2.681   0.050  -1.356  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -1.223   0.213   2.023  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   1  21
ATOM     12  C   LIG    1        1.103  -0.006  -1.101  0.00  0.00    +0.140 A 
ATOM     13  C   LIG    1        2.528   0.046  -0.957  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        2.788   0.209   0.403  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1        4.082   0.302   0.929  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        5.152   0.220   0.034  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        4.934   0.049  -1.329  0.00  0.00    +0.001 A 
ATOM     18  N   LIG    1        1.572   0.244   1.038  0.00  0.00    -0.352 N 
ATOM     19  H   LIG    1        1.434   0.345   2.035  0.00  0.00    +0.166 HD
ATOM     20  C   LIG    1        3.632  -0.042  -1.837  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        0.527   0.120   0.146  0.00  0.00    +0.082 A 
BRANCH  12  23
ATOM     22  O   LIG    1        0.951   0.231  -3.369  0.00  0.00    -0.143 OA
ATOM     23  N   LIG    1        0.394  -0.221  -2.362  0.00  0.00    -0.028 NA
ENDBRANCH  12  23
ENDBRANCH   1  21
BRANCH  11  24
ATOM     24  O   LIG    1       -0.390   0.288   3.061  0.00  0.00    -0.493 OA
ATOM     25  H   LIG    1       -0.901   0.317   3.889  0.00  0.00    +0.294 HD
ENDBRANCH  11  24
TORSDOF 3