REMARK  Name = BDB020547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.938   5.129  -0.210  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1       -3.028   3.689  -0.047  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -4.205   3.061  -0.446  0.00  0.00    +0.235 C 
ATOM      4  O   LIG    1       -5.131   3.674  -0.984  0.00  0.00    -0.274 OA
ATOM      5  C   LIG    1       -4.329   1.565  -0.219  0.00  0.00    +0.219 C 
ATOM      6  N   LIG    1       -3.092   0.945   0.203  0.00  0.00    -0.320 N 
ATOM      7  C   LIG    1       -2.064   1.650   0.767  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -1.097   0.708   1.042  0.00  0.00    +0.097 A 
ATOM      9  N   LIG    1       -1.526  -0.538   0.650  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -2.738  -0.379   0.153  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -2.176   3.104   0.979  0.00  0.00    +0.163 C 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        0.205   0.936   1.643  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        1.397   0.432   1.048  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        2.639   0.673   1.673  0.00  0.00    -0.012 A 
ATOM     15  C   LIG    1        3.816   0.188   1.084  0.00  0.00    +0.052 A 
ATOM     16  C   LIG    1        3.776  -0.517  -0.119  0.00  0.00    +0.122 A 
ATOM     17  N   LIG    1        2.600  -0.768  -0.723  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1        2.687   1.391   2.878  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        1.521   1.878   3.462  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        1.463  -0.302  -0.146  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        0.296   1.649   2.846  0.00  0.00    +0.133 A 
ATOM     22  F   LIG    1       -0.804   2.133   3.444  0.00  0.00    -0.205 F 
BRANCH  16  23
ATOM     23  N   LIG    1        4.975  -1.000  -0.681  0.00  0.00    -0.311 N 
ATOM     24  C   LIG    1        4.742  -1.940  -1.801  0.00  0.00    +0.134 C 
ATOM     25  C   LIG    1        6.089  -2.476  -2.311  0.00  0.00    +0.178 C 
ATOM     26  O   LIG    1        6.958  -1.407  -2.723  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1        7.203  -0.518  -1.622  0.00  0.00    +0.178 C 
ATOM     28  C   LIG    1        5.898   0.087  -1.075  0.00  0.00    +0.134 C 
ENDBRANCH  16  23
ENDBRANCH   8  12
BRANCH  10  29
ATOM     29  C   LIG    1       -3.620  -1.479  -0.362  0.00  0.00    +0.059 C 
ATOM     30  C   LIG    1       -2.803  -2.594  -1.019  0.00  0.00    +0.039 C 
ATOM     31  C   LIG    1       -3.723  -3.691  -1.552  0.00  0.00    +0.160 C 
ATOM     32  O   LIG    1       -4.975  -3.756  -0.865  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -4.838  -3.517   0.531  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -4.485  -2.053   0.771  0.00  0.00    +0.039 C 
ENDBRANCH  10  29
TORSDOF 3