REMARK  Name = BDB042759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.250  -2.119  -0.077  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.136  -1.622   0.042  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.935  -2.462   0.131  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.693  -1.843   0.231  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -0.516  -2.587   0.341  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        0.734  -1.980   0.531  0.00  0.00    -0.339 N 
ATOM      7  H   LIG    1        1.490  -2.616   0.272  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        0.880  -0.639  -0.085  0.00  0.00    +0.089 C 
ATOM      9  C   LIG    1       -0.269   0.297   0.401  0.00  0.00    +0.092 C 
ATOM     10  C   LIG    1       -0.627  -3.981   0.410  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -1.873  -4.598   0.296  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -1.949  -5.934   0.344  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -1.646  -0.375   0.259  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1       -2.723   0.357   0.231  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -3.034  -3.853   0.149  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -3.929  -0.266   0.114  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -4.745   0.335   0.064  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -0.272   1.693  -0.223  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -0.494   1.950  -1.589  0.00  0.00    +0.045 A 
ATOM     20 CL   LIG    1       -0.794   0.697  -2.742  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -0.485   3.262  -2.079  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.268   4.336  -1.219  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -0.067   4.104   0.137  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -0.075   2.799   0.631  0.00  0.00    +0.006 A 
ENDBRANCH   9  18
BRANCH   8  25
ATOM     25  C   LIG    1        2.335  -0.196   0.203  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1        2.646   0.286   1.610  0.00  0.00    +0.165 C 
ATOM     27  O   LIG    1        3.898   0.988   1.523  0.00  0.00    -0.379 OA
ATOM     28  C   LIG    1        4.179   1.256   0.141  0.00  0.00    +0.160 C 
ATOM     29  C   LIG    1        2.923   0.919  -0.638  0.00  0.00    +0.035 C 
ENDBRANCH   8  25
TORSDOF 2