REMARK  Name = BDB008858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.370  -0.416  -1.388  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.473  -1.196  -2.534  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.248  -0.911  -3.628  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.313  -2.304  -2.551  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.069  -2.620  -1.419  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.001  -1.821  -0.264  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.131  -0.718  -0.253  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.066   1.866  -1.474  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.489   0.775  -1.377  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.856   0.606  -1.209  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        2.517  -0.685  -0.981  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.054  -0.616  -1.080  0.00  0.00    +0.124 C 
ATOM     13  N   LIG    1        4.599   0.424  -0.195  0.00  0.00    -0.327 N 
ATOM     14  C   LIG    1        3.794   1.652  -0.028  0.00  0.00    +0.124 C 
ATOM     15  C   LIG    1        2.712   1.790  -1.114  0.00  0.00    +0.127 C 
BRANCH  13  16
ATOM     16  C   LIG    1        5.921   0.400   0.229  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        6.361   1.198   1.299  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        7.688   1.180   1.745  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        8.618   0.352   1.129  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        8.216  -0.455   0.073  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        6.885  -0.430  -0.365  0.00  0.00    +0.023 A 
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1       -2.820  -2.185   0.954  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.485  -0.994   1.639  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1       -4.643  -0.310   0.981  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -5.190  -0.800  -0.331  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -6.559  -0.205  -0.676  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.594   1.291  -0.391  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.295   1.576   1.082  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -5.159   0.753   1.622  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -4.603   1.175   2.933  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -5.067   2.122   3.558  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -3.550   0.436   3.401  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -3.154   0.712   4.294  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -2.982  -0.631   2.781  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4