REMARK  Name = BDB020858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.858   0.125   0.451  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.090   0.724   1.496  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -1.273   0.546   1.464  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.758   1.236   2.537  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.766   1.774   3.209  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.934  -0.202   0.482  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.231  -0.748  -0.472  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.401   1.446   2.556  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.138  -0.571  -0.460  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        6.472   0.533  -0.347  0.00  0.00    +0.403 C 
ATOM     11  N   LIG    1        5.149   0.360   0.028  0.00  0.00    -0.263 N 
ATOM     12  C   LIG    1        4.560  -0.956   0.245  0.00  0.00    +0.116 C 
ATOM     13  C   LIG    1        3.089  -0.980  -0.171  0.00  0.00    +0.054 C 
ATOM     14  C   LIG    1        2.324   0.218   0.347  0.00  0.00    -0.036 C 
ATOM     15  C   LIG    1        3.005   1.316   0.730  0.00  0.00    -0.004 C 
ATOM     16  C   LIG    1        4.494   1.489   0.665  0.00  0.00    +0.138 C 
ATOM     17  O   LIG    1        7.054   1.611  -0.315  0.00  0.00    -0.226 OA
BRANCH  10  18
ATOM     18  O   LIG    1        7.055  -0.627  -0.756  0.00  0.00    -0.451 OA
BRANCH  18  20
ATOM     19  C   LIG    1        9.345  -0.671   0.030  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        8.425  -0.533  -1.169  0.00  0.00    +0.230 C 
ENDBRANCH  18  20
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   6  21
ATOM     21  N   LIG    1       -3.306  -0.333   0.548  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.742  -0.241   1.459  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.009  -1.266  -0.317  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.485  -1.015  -0.223  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -6.087   0.104  -0.792  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.483   1.246  -1.522  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.756   1.883  -2.079  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.880   1.483  -1.262  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -7.451   0.329  -0.661  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -8.276  -0.531   0.034  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -7.698  -1.663   0.608  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -6.322  -1.894   0.478  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -5.799  -2.982   1.061  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6