REMARK  Name = BDB057826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.795  -0.178  -0.409  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -2.332   0.959  -0.866  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -1.519   2.010  -1.000  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.157   1.958  -0.683  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        0.646   3.113  -0.875  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.092   4.297  -1.357  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.263   4.343  -1.655  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.304   0.722  -0.193  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -2.050   3.202  -1.476  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.505  -0.344  -0.079  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -4.008  -1.267   0.197  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -2.682  -1.348  -0.292  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -2.200  -2.614  -0.692  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.999  -3.757  -0.637  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.306  -3.664  -0.179  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.807  -2.432   0.234  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -3.766   0.750   1.498  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -4.604   0.032   0.700  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -5.021   0.862  -0.294  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -5.716  -0.175   1.472  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  21
ATOM     21  N   LIG    1        1.664   0.582   0.161  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        1.907   1.321   0.814  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.021  -0.727   0.694  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.495  -0.720   1.037  0.00  0.00    -0.029 A 
ATOM     25  C   LIG    1        3.922  -0.693   2.373  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1        5.287  -0.673   2.684  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1        5.727  -0.643   4.355  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        6.237  -0.676   1.658  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1        7.937  -0.651   1.967  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        5.819  -0.696   0.325  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        4.457  -0.716   0.016  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 5