REMARK  Name = BDB020857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.393  -0.392  -0.298  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.570  -1.516  -0.612  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -0.787  -1.309  -0.686  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.330  -2.531  -0.961  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.377  -3.426  -1.086  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.392  -0.062  -0.491  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.639   0.965  -0.205  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.822  -2.785  -0.872  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.725   0.772  -0.117  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        7.027  -0.361   0.447  0.00  0.00    +0.403 C 
ATOM     11  N   LIG    1        5.694  -0.446   0.082  0.00  0.00    -0.263 N 
ATOM     12  C   LIG    1        5.117   0.370  -0.980  0.00  0.00    +0.116 C 
ATOM     13  C   LIG    1        3.666   0.740  -0.670  0.00  0.00    +0.054 C 
ATOM     14  C   LIG    1        2.860  -0.447  -0.188  0.00  0.00    -0.036 C 
ATOM     15  C   LIG    1        3.506  -1.529   0.290  0.00  0.00    -0.004 C 
ATOM     16  C   LIG    1        4.994  -1.670   0.428  0.00  0.00    +0.138 C 
ATOM     17  O   LIG    1        7.592  -1.176   1.168  0.00  0.00    -0.226 OA
BRANCH  10  19
ATOM     18  C   LIG    1        9.024   0.853   0.281  0.00  0.00    +0.282 C 
ATOM     19  O   LIG    1        7.648   0.730  -0.080  0.00  0.00    -0.454 OA
ENDBRANCH  10  19
ENDBRANCH   1  14
BRANCH   6  20
ATOM     20  N   LIG    1       -2.763   0.044  -0.603  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.241  -0.638  -1.181  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.413   1.345  -0.621  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.896   1.161  -0.483  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -5.489   0.784   0.719  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.872   0.450   2.025  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -6.129   0.436   2.895  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.282   0.200   2.054  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.861   0.589   0.810  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.702   0.754  -0.272  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -7.132   1.139  -1.485  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.748   1.337  -1.580  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -5.234   1.687  -2.768  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5