REMARK  Name = BDB063098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.007  -0.929   0.714  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.302  -0.755   0.394  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1       -2.206  -1.666   0.813  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -1.811  -2.755   1.570  0.00  0.00    +0.181 A 
ATOM      5  F   LIG    1       -2.686  -3.679   1.992  0.00  0.00    -0.200 F 
ATOM      6  C   LIG    1       -0.476  -2.861   1.857  0.00  0.00    +0.156 A 
ATOM      7  N   LIG    1        0.438  -1.966   1.439  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        0.848   0.052   0.223  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        0.304   0.717  -0.308  0.00  0.00    +0.155 HD
BRANCH   8  13
ATOM     10  C   LIG    1        4.999   0.853   0.402  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        4.135   1.678  -0.320  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        2.764   1.389  -0.361  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        2.224   0.282   0.316  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        3.104  -0.524   1.043  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        4.476  -0.243   1.093  0.00  0.00    +0.015 A 
BRANCH  10  19
ATOM     16  N   LIG    1        7.028   1.850  -0.519  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1        6.570   1.980  -1.410  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        8.039   1.892  -0.510  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1        6.462   1.110   0.482  0.00  0.00    +0.242 C 
ATOM     20  O   LIG    1        7.150   0.652   1.385  0.00  0.00    -0.270 OA
ENDBRANCH  10  19
ENDBRANCH   8  13
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  N   LIG    1       -3.588  -1.521   0.529  0.00  0.00    -0.297 N 
ATOM     22  H   LIG    1       -4.006  -2.428   0.347  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.277  -0.464  -0.098  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1       -3.819   0.859  -0.094  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -4.562   1.883  -0.692  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.787   1.602  -1.289  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.274   0.299  -1.279  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.529  -0.721  -0.680  0.00  0.00    +0.023 A 
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 5