REMARK  Name = BDB013059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.538   0.041  -0.091  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -1.966  -1.094  -0.730  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.615  -1.291  -0.574  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.324  -2.410  -1.299  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.419  -2.885  -1.846  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.208  -0.444   0.180  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.320   0.607   0.748  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.458  -2.055  -1.486  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.674   0.827   0.591  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -8.097   1.495  -0.276  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -6.647   1.113  -0.256  0.00  0.00    +0.038 A 
ATOM     12  N   LIG    1       -6.001   1.186   0.930  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1       -4.692   0.831   0.946  0.00  0.00    +0.119 A 
ATOM     14  C   LIG    1       -3.966   0.418  -0.170  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -4.668   0.346  -1.376  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -6.018   0.697  -1.424  0.00  0.00    +0.023 A 
ENDBRANCH   1  14
BRANCH   6  17
ATOM     17  N   LIG    1        1.550  -0.740   0.293  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        1.826  -1.710   0.183  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.396  -0.023   1.234  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.834  -0.357   0.962  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.515   0.138  -0.147  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.036   0.994  -1.259  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        5.380   1.348  -1.895  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        6.353   0.340  -1.534  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        5.836  -0.215  -0.392  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        6.537  -1.067   0.436  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        5.878  -1.571   1.558  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        4.545  -1.216   1.809  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        3.938  -1.738   2.884  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4