REMARK  Name = BDB006195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.116  -0.022   0.475  0.00  0.00    -0.232 N 
ATOM      2  C   LIG    1       -1.065  -0.214  -0.447  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.060   0.206   0.238  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        1.526   0.403   0.121  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        1.884   0.871   1.493  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1        0.760   0.890   2.365  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1        0.690   1.195   3.544  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -0.348   0.476   1.532  0.00  0.00    +0.154 A 
ATOM      9  N   LIG    1       -1.636   0.247   1.735  0.00  0.00    -0.161 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        3.208   1.282   1.840  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        3.558   1.620   3.158  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.860   2.019   3.483  0.00  0.00    +0.078 A 
ATOM     13 CL   LIG    1        5.244   2.419   5.115  0.00  0.00    -0.081 Cl
ATOM     14  C   LIG    1        5.834   2.087   2.496  0.00  0.00    +0.142 A 
ATOM     15  F   LIG    1        7.087   2.466   2.785  0.00  0.00    -0.204 F 
ATOM     16  C   LIG    1        5.519   1.761   1.186  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        4.217   1.363   0.862  0.00  0.00    +0.026 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1        2.118  -0.941  -0.260  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1        2.606  -1.133  -1.567  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        3.159  -2.356  -1.953  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        3.233  -3.403  -1.038  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        3.914  -4.909  -1.516  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        2.759  -3.237   0.260  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        2.205  -2.014   0.647  0.00  0.00    +0.007 A 
ENDBRANCH   4  18
BRANCH   1  26
ATOM     25  C   LIG    1       -4.165   0.606  -0.743  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1       -3.522  -0.045   0.312  0.00  0.00    +0.107 A 
ATOM     27  C   LIG    1       -4.295  -0.672   1.303  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1       -5.685  -0.733   1.179  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.313  -0.151   0.080  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.555   0.522  -0.879  0.00  0.00    +0.048 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -3.444   2.729  -1.222  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -3.484   1.366  -1.652  0.00  0.00    -0.493 OA
ENDBRANCH  25  32
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1       -1.109  -0.885  -1.802  0.00  0.00    +0.032 C 
ATOM     34  C   LIG    1       -0.862   0.088  -2.954  0.00  0.00    +0.014 C 
ATOM     35  C   LIG    1       -2.292  -1.807  -2.074  0.00  0.00    +0.014 C 
ENDBRANCH   2  33
TORSDOF 5