REMARK  Name = BDB020521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.770  -0.467   0.008  0.00  0.00    +0.165 A 
ATOM      2  C   LIG    1        2.698  -0.395   0.895  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1        1.412  -0.441   0.328  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        1.202  -0.547  -1.066  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        2.359  -0.613  -1.861  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        2.228  -0.721  -3.239  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        0.980  -0.770  -3.860  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.171  -0.705  -3.087  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.075  -0.586  -1.694  0.00  0.00    +0.011 A 
ATOM     10  N   LIG    1        3.598  -0.573  -1.344  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -1.300  -0.523  -0.922  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1       -2.252   0.471  -0.980  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -2.414   1.726  -1.733  0.00  0.00    +0.163 C 
ATOM     14  N   LIG    1       -3.833   1.932  -2.001  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1       -4.806   1.676  -1.035  0.00  0.00    +0.238 C 
ATOM     16  C   LIG    1       -4.389   0.877   0.204  0.00  0.00    +0.171 C 
ATOM     17  C   LIG    1       -4.190   1.831   1.377  0.00  0.00    +0.041 C 
ATOM     18  O   LIG    1       -5.961   2.096  -1.135  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -4.167   2.811  -3.107  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -3.194   0.098  -0.059  0.00  0.00    -0.318 N 
ATOM     21  C   LIG    1       -2.805  -1.084   0.501  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -1.653  -1.478   0.001  0.00  0.00    -0.232 NA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.584  -1.888   1.580  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -2.823  -2.818   2.489  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.385  -1.538   3.031  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH   9  11
BRANCH   1  29
ATOM     26  C   LIG    1        7.743  -0.066   2.787  0.00  0.00    +0.090 C 
ATOM     27  C   LIG    1        6.855  -0.237   1.619  0.00  0.00    +0.148 A 
ATOM     28  N   LIG    1        5.521  -0.201   1.720  0.00  0.00    -0.149 NA
ATOM     29  N   LIG    1        5.127  -0.421   0.442  0.00  0.00    -0.202 N 
ATOM     30  C   LIG    1        6.239  -0.541  -0.358  0.00  0.00    +0.227 A 
ATOM     31  N   LIG    1        7.336  -0.432   0.356  0.00  0.00    -0.219 NA
ENDBRANCH   1  29
BRANCH   2  32
ATOM     32  C   LIG    1        2.825  -0.331   2.393  0.00  0.00    +0.375 C 
ATOM     33  F   LIG    1        3.277  -1.499   2.926  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        1.626  -0.104   3.014  0.00  0.00    -0.204 F 
ENDBRANCH   2  32
TORSDOF 4