REMARK  Name = BDB057839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.350   0.101  -0.382  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -3.355  -0.206   0.446  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -3.384  -1.443   0.946  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.432  -2.415   0.618  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -2.518  -3.701   1.212  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -3.546  -4.013   2.099  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.494  -3.047   2.407  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.442  -2.009  -0.295  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -4.402  -1.777   1.832  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.402  -0.759  -0.784  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.407   2.279  -1.181  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -2.271   1.484  -0.890  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -0.997   2.063  -1.096  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -0.843   3.371  -1.558  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -1.964   4.143  -1.826  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.235   3.604  -1.636  0.00  0.00    +0.010 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -5.707   2.416  -1.832  0.00  0.00    -0.204 F 
ATOM     18  C   LIG    1       -4.822   1.772  -1.008  0.00  0.00    +0.372 C 
ATOM     19  F   LIG    1       -5.303   1.973   0.250  0.00  0.00    -0.204 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  20
ATOM     20  N   LIG    1       -0.454  -2.937  -0.697  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1       -0.928  -3.756  -1.066  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        0.547  -2.449  -1.645  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.624  -1.615  -0.986  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        2.197  -1.995   0.235  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        3.211  -1.228   0.818  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        3.688  -0.064   0.196  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1        3.120   0.303  -1.034  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        2.107  -0.464  -1.620  0.00  0.00    +0.006 A 
BRANCH  26  29
ATOM     29  C   LIG    1        4.748   0.745   0.811  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.964   0.188   1.212  0.00  0.00    +0.119 A 
ATOM     31  N   LIG    1        6.982   0.876   1.787  0.00  0.00    -0.263 NA
ATOM     32  C   LIG    1        6.784   2.196   1.978  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        5.622   2.857   1.620  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        4.596   2.120   1.031  0.00  0.00    +0.011 A 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 6