REMARK  Name = BDB042543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.786   0.459  -0.116  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1       -2.845  -0.457   0.547  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -1.391  -0.201   0.104  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1       -1.210  -0.228  -1.352  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.004  -0.410  -1.996  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.095  -0.440  -3.223  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -2.413   0.011  -2.155  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -3.420   0.946  -1.461  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1       -6.801   0.400   2.084  0.00  0.00    +0.054 A 
ATOM     10  C   LIG    1       -5.578   0.051   1.485  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1       -4.997   0.825   0.463  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1       -5.720   1.975   0.077  0.00  0.00    +0.144 A 
ATOM     13  F   LIG    1       -5.240   2.800  -0.869  0.00  0.00    -0.204 F 
ATOM     14  C   LIG    1       -6.936   2.334   0.664  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1       -7.481   1.546   1.671  0.00  0.00    +0.022 A 
BRANCH   9  17
ATOM     16  N   LIG    1       -7.791  -1.098   3.957  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1       -7.351  -0.427   3.118  0.00  0.00    +0.099 C 
ENDBRANCH   9  17
ENDBRANCH   1  11
BRANCH   5  18
ATOM     18  C   LIG    1        1.226  -0.579  -1.109  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.517  -0.623  -1.930  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.735  -0.740  -1.048  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1        3.964  -1.962  -0.456  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1        3.338  -2.739  -0.632  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1        5.026  -2.252   0.373  0.00  0.00    +0.257 A 
ATOM     24  O   LIG    1        5.169  -3.361   0.876  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        5.983  -1.149   0.627  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        5.756   0.096   0.017  0.00  0.00    -0.011 A 
ATOM     27  C   LIG    1        6.654   1.144   0.247  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        7.761   0.943   1.077  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        7.966  -0.300   1.671  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1        9.030  -0.479   2.464  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        7.088  -1.353   1.456  0.00  0.00    +0.052 A 
ATOM     32  C   LIG    1        4.587   0.278  -0.847  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5