REMARK  Name = BDB042814
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.531  -2.727   1.984  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.653  -1.964   1.598  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.623  -2.412   0.651  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.643  -1.507   0.260  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -0.618  -1.871  -0.620  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        0.344  -0.951  -1.045  0.00  0.00    -0.339 N 
ATOM      7  H   LIG    1        1.157  -1.361  -1.497  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        0.635   0.171  -0.131  0.00  0.00    +0.087 C 
ATOM      9  C   LIG    1       -0.688   0.880   0.277  0.00  0.00    +0.092 C 
ATOM     10  C   LIG    1       -0.649  -3.159  -1.161  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -1.636  -4.064  -0.768  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -1.632  -5.300  -1.285  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -1.723  -0.131   0.770  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1       -2.638   0.259   1.608  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -2.622  -3.709   0.142  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -3.563  -0.657   2.017  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -4.274  -0.323   2.662  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   8  18
ATOM     18  C   LIG    1        1.494  -0.311   1.096  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1        2.688  -1.218   0.712  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1        3.795  -0.462  -0.019  0.00  0.00    +0.076 C 
ATOM     21  C   LIG    1        4.290   0.715   0.805  0.00  0.00    +0.249 C 
ATOM     22  F   LIG    1        5.196   1.421   0.087  0.00  0.00    -0.206 F 
ATOM     23  F   LIG    1        4.944   0.245   1.899  0.00  0.00    -0.206 F 
ATOM     24  C   LIG    1        3.166   1.633   1.254  0.00  0.00    +0.076 C 
ATOM     25  C   LIG    1        2.046   0.857   1.949  0.00  0.00    +0.011 C 
ENDBRANCH   8  18
BRANCH   9  26
ATOM     26  C   LIG    1       -1.219   1.797  -0.832  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1       -0.857   3.158  -0.902  0.00  0.00    +0.045 A 
ATOM     28 CL   LIG    1        0.208   3.894   0.244  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1       -1.339   3.980  -1.928  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -2.182   3.463  -2.908  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -2.538   2.120  -2.868  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.059   1.297  -1.845  0.00  0.00    +0.006 A 
ENDBRANCH   9  26
TORSDOF 2