REMARK  Name = BDB027564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.247   1.241   2.025  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.099   0.594   1.617  0.00  0.00    -0.293 N 
ATOM      3  C   LIG    1       -1.123   0.685   2.406  0.00  0.00    +0.147 C 
ATOM      4  C   LIG    1       -2.017  -0.441   1.894  0.00  0.00    +0.205 C 
ATOM      5  F   LIG    1       -1.764  -1.567   2.626  0.00  0.00    -0.242 F 
ATOM      6  C   LIG    1       -1.533  -0.677   0.457  0.00  0.00    +0.126 C 
ATOM      7  C   LIG    1       -0.018  -0.461   0.612  0.00  0.00    +0.133 C 
ATOM      8  O   LIG    1        1.295   1.981   3.002  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        4.853   0.616  -0.190  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1        3.779   1.312  -0.766  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        2.596   1.520  -0.051  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        2.480   1.020   1.246  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        3.547   0.347   1.841  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.728   0.140   1.119  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1        7.168  -0.218  -0.642  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1        6.008   0.450  -0.983  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1        5.968   0.866  -1.903  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        7.405  -0.804   0.405  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1        9.364  -0.773  -1.605  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        8.178  -0.167  -1.741  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.069   0.293  -0.506  0.00  0.00    -0.306 N 
ATOM     22  H   LIG    1       -1.837   1.267  -0.339  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.430   0.230  -0.741  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1       -4.078  -0.937  -0.635  0.00  0.00    -0.214 NA
ATOM     25  C   LIG    1       -5.399  -0.947  -0.862  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1       -6.109   0.211  -1.187  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -7.498   0.176  -1.419  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1       -8.186  -1.030  -1.324  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -7.491  -2.190  -1.000  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -5.343   1.362  -1.254  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.111  -2.138  -0.773  0.00  0.00    +0.028 A 
ATOM     32  N   LIG    1       -4.015   1.395  -1.030  0.00  0.00    -0.222 NA
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5