REMARK  Name = BDB042537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.783  -0.796   0.311  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1       -2.724   0.132   0.781  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -1.313  -0.388   0.451  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1       -1.127  -0.655  -0.983  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.098  -0.705  -1.630  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.190  -0.930  -2.837  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -2.348  -0.955  -1.745  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -3.426  -1.616  -0.872  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -7.608   1.019   0.550  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1       -7.015   0.851  -0.700  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -5.757   0.254  -0.796  0.00  0.00    +0.146 A 
ATOM     12  F   LIG    1       -5.214   0.154  -2.019  0.00  0.00    -0.204 F 
ATOM     13  C   LIG    1       -5.054  -0.194   0.338  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1       -5.670  -0.003   1.586  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -6.933   0.592   1.696  0.00  0.00    +0.021 A 
BRANCH   9  17
ATOM     16  N   LIG    1       -9.944   2.129   0.748  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1       -8.899   1.631   0.659  0.00  0.00    +0.099 C 
ENDBRANCH   9  17
ENDBRANCH   1  13
BRANCH   5  18
ATOM     18  C   LIG    1        1.329  -0.459  -0.776  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.619  -0.684  -1.568  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.844  -0.423  -0.726  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1        4.161  -1.364   0.228  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1        3.592  -2.196   0.331  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1        5.241  -1.295   1.080  0.00  0.00    +0.257 A 
ATOM     24  O   LIG    1        5.463  -2.165   1.914  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        6.117  -0.107   0.935  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        5.801   0.851  -0.042  0.00  0.00    -0.011 A 
ATOM     27  C   LIG    1        6.622   1.974  -0.190  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        7.741   2.131   0.632  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        8.035   1.169   1.595  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1        9.110   1.332   2.378  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        7.235   0.047   1.758  0.00  0.00    +0.052 A 
ATOM     32  C   LIG    1        4.621   0.660  -0.889  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5