REMARK  Name = BDB057853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.494   0.011   0.020  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -1.997   1.053   0.689  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -1.282   2.179   0.697  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.035   2.290   0.070  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        0.646   3.536   0.101  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.102   4.635   0.762  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.127   4.509   1.394  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.435   1.120  -0.557  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -1.804   3.287   1.353  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.298  -0.006  -0.590  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.708  -1.236  -0.117  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -2.294  -1.227  -0.012  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -1.634  -2.474   0.073  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.332  -3.683   0.083  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.717  -3.679   0.006  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.399  -2.469  -0.093  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -5.785  -0.214  -0.727  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -4.517   0.036  -0.274  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -4.695   0.716   0.892  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -4.001   0.913  -1.179  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  21
ATOM     21  N   LIG    1        1.682   1.146  -1.214  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        2.375   1.553  -0.592  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.174  -0.107  -1.779  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.221  -0.714  -0.871  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        2.841  -1.470   0.247  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        3.806  -2.010   1.100  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.159  -1.795   0.847  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.549  -1.037  -0.256  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.586  -0.496  -1.109  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 5