REMARK  Name = BDB007093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.226   1.565  -0.682  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.200   2.531  -0.977  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        2.544   2.138  -1.127  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        3.739   2.843  -1.434  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        4.769   1.932  -1.456  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        4.249   0.697  -1.151  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1        2.882   0.791  -0.964  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        1.920  -0.183  -0.654  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.589   0.226  -0.511  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1       -2.152   1.103  -0.880  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1       -1.890   0.247  -1.349  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1       -1.184   2.017  -0.533  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1       -1.433   3.150  -0.140  0.00  0.00    -0.270 OA
BRANCH  10  15
ATOM     14  C   LIG    1       -3.984   2.244  -2.038  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -3.572   1.416  -0.814  0.00  0.00    +0.101 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.351   0.118  -0.599  0.00  0.00    -0.020 A 
ATOM     17  C   LIG    1       -4.381  -0.512   0.688  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1       -5.104  -1.725   0.843  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -5.158  -2.364   2.093  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -4.504  -1.833   3.202  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -3.785  -0.654   3.073  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -5.764  -2.293  -0.253  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -5.717  -1.690  -1.504  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -3.725  -0.006   1.836  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -5.014  -0.502  -1.676  0.00  0.00    +0.006 A 
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   1  12
BRANCH   6  26
ATOM     26  C   LIG    1        5.038  -0.530  -1.083  0.00  0.00    +0.159 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.317  -0.947   0.337  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        4.840  -2.173   0.816  0.00  0.00    +0.131 A 
ATOM     29  F   LIG    1        4.129  -2.972   0.008  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        5.085  -2.592   2.118  0.00  0.00    +0.077 A 
ATOM     31  C   LIG    1        5.824  -1.772   2.958  0.00  0.00    +0.126 A 
ATOM     32  F   LIG    1        6.068  -2.165   4.215  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        6.317  -0.550   2.515  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1        6.068  -0.136   1.205  0.00  0.00    +0.011 A 
ENDBRANCH  26  27
ENDBRANCH   6  26
TORSDOF 5