REMARK  Name = BDB031410
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.621  -0.814   0.526  0.00  0.00    +0.194 C 
ATOM      2  N   LIG    1       -1.247   0.299  -0.209  0.00  0.00    -0.256 N 
ATOM      3  C   LIG    1       -0.299   1.175  -0.717  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -0.464   2.100  -1.491  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1        1.010   0.748  -0.233  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        2.249   1.335  -0.438  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        3.392   0.714   0.105  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1        3.213  -0.479   0.842  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1        1.944  -1.043   1.020  0.00  0.00    +0.132 A 
ATOM     10  F   LIG    1        1.825  -2.177   1.720  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        0.838  -0.428   0.474  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -0.824  -2.200  -0.108  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.052  -3.338   0.689  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -1.211  -4.603   0.115  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.131  -4.752  -1.266  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -1.325  -6.308  -1.972  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -0.885  -3.649  -2.077  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.724  -2.384  -1.503  0.00  0.00    +0.010 A 
ENDBRANCH   1  12
BRANCH   7  19
ATOM     19  C   LIG    1        4.762   1.361  -0.091  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        5.956   0.421   0.124  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        4.904   2.586   0.818  0.00  0.00    +0.046 C 
BRANCH  19  22
ATOM     22  O   LIG    1        4.858   1.818  -1.446  0.00  0.00    -0.385 OA
ATOM     23  H   LIG    1        4.587   1.082  -2.021  0.00  0.00    +0.211 HD
ENDBRANCH  19  22
ENDBRANCH   7  19
BRANCH   1  25
ATOM     24  C   LIG    1       -2.266  -0.631   2.311  0.00  0.00    +0.197 C 
ATOM     25  O   LIG    1       -0.912  -0.758   1.925  0.00  0.00    -0.351 OA
ENDBRANCH   1  25
BRANCH   2  26
ATOM     26  C   LIG    1       -2.590   0.242  -0.784  0.00  0.00    +0.166 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.578   1.236  -0.205  0.00  0.00    +0.059 A 
ATOM     28  N   LIG    1       -4.584   0.726   0.557  0.00  0.00    -0.257 NA
ATOM     29  C   LIG    1       -5.484   1.601   1.073  0.00  0.00    +0.131 A 
ATOM     30  C   LIG    1       -5.436   2.969   0.867  0.00  0.00    +0.059 A 
ATOM     31 CL   LIG    1       -6.612   4.009   1.557  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1       -4.411   3.478   0.084  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1       -3.471   2.602  -0.463  0.00  0.00    +0.026 A 
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 6