REMARK  Name = BDB016065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.517   2.247  -0.355  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.604   1.282  -0.139  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.688   1.640   0.008  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.083   2.980  -0.030  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.066   3.889  -0.257  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        1.228   3.558  -0.430  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.654   0.078  -0.551  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.319   0.487  -0.395  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.927   1.837  -0.523  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.935   2.772  -0.820  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        5.266   2.382  -0.984  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.622   1.041  -0.851  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        4.819  -4.660   0.927  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.090  -3.409   0.261  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.109  -3.332  -0.612  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.075  -2.059  -1.017  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.032  -1.318  -0.412  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.415  -2.233   0.416  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.450   3.426   0.166  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.066   4.435  -0.547  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.338   4.525  -0.058  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.374   5.433  -0.490  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -4.598   3.646   0.925  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -3.446   2.983   1.066  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.651   0.628   0.230  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.408   0.781  -0.438  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.147  -0.743   0.136  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.218  -1.739   0.596  0.00  0.00    +0.042 C 
ATOM     29  C   LIG    1       -3.498  -1.674  -0.255  0.00  0.00    +0.184 C 
ATOM     30  F   LIG    1       -3.157  -1.431  -1.556  0.00  0.00    -0.244 F 
ATOM     31  C   LIG    1       -4.291  -2.992  -0.232  0.00  0.00    +0.118 C 
ATOM     32  N   LIG    1       -4.089  -3.756   0.997  0.00  0.00    -0.313 NA
ATOM     33  H   LIG    1       -4.691  -4.579   1.005  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -2.692  -4.164   1.161  0.00  0.00    +0.081 C 
ATOM     35  C   LIG    1       -1.673  -3.174   0.580  0.00  0.00    +0.023 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6