REMARK  Name = BDB041345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.025   0.354   0.879  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1       -5.182  -0.186  -0.026  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1       -3.873   0.133   0.081  0.00  0.00    +0.237 A 
ATOM      4  O   LIG    1       -3.110  -0.469  -0.894  0.00  0.00    -0.473 OA
ATOM      5  C   LIG    1       -1.819   0.129  -1.032  0.00  0.00    +0.254 C 
ATOM      6  C   LIG    1       -1.143   0.294   0.329  0.00  0.00    +0.125 C 
ATOM      7  N   LIG    1       -1.937   1.249   1.142  0.00  0.00    -0.317 N 
ATOM      8  C   LIG    1       -1.314   1.566   2.440  0.00  0.00    +0.121 C 
ATOM      9  C   LIG    1        0.158   2.009   2.244  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        0.970   1.042   1.468  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        0.307   0.810   0.161  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1       -3.314   0.957   1.088  0.00  0.00    +0.093 A 
ATOM     13  C   LIG    1       -4.233   1.507   1.986  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1       -5.592   1.204   1.890  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1       -7.315  -1.488  -1.238  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1       -8.008  -0.798  -0.176  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -9.010  -0.919  -0.104  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -7.491   0.032   0.794  0.00  0.00    +0.262 C 
ATOM     19  O   LIG    1       -8.272   0.519   1.614  0.00  0.00    -0.269 OA
ENDBRANCH   1  18
BRANCH  10  20
ATOM     20  C   LIG    1        2.338   1.559   1.293  0.00  0.00    +0.122 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.298   0.520   0.764  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        4.063   0.771  -0.378  0.00  0.00    +0.153 A 
ATOM     23  F   LIG    1        3.933   1.940  -1.026  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1        4.963  -0.179  -0.864  0.00  0.00    +0.104 A 
ATOM     25  C   LIG    1        5.122  -1.407  -0.213  0.00  0.00    +0.090 A 
ATOM     26  N   LIG    1        6.016  -2.392  -0.670  0.00  0.00    -0.245 NA
ATOM     27  C   LIG    1        6.715  -2.136  -1.738  0.00  0.00    +0.103 A 
ATOM     28  C   LIG    1        6.609  -0.824  -2.514  0.00  0.00    +0.270 A 
ATOM     29  O   LIG    1        7.287  -0.631  -3.511  0.00  0.00    -0.266 OA
ATOM     30  C   LIG    1        7.685  -3.151  -2.269  0.00  0.00    +0.071 C 
ATOM     31  C   LIG    1        4.366  -1.663   0.932  0.00  0.00    +0.030 A 
ATOM     32  N   LIG    1        5.718   0.089  -2.013  0.00  0.00    -0.317 N 
ATOM     33  H   LIG    1        5.617   0.973  -2.495  0.00  0.00    +0.169 HD
ATOM     34  C   LIG    1        3.465  -0.710   1.420  0.00  0.00    +0.010 A 
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 3