REMARK  Name = BDB020522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.689  -0.317   0.286  0.00  0.00    +0.088 A 
ATOM      2  C   LIG    1        2.560  -0.480   1.075  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1        1.323  -0.489   0.416  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1        1.231  -0.367  -0.988  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        2.449  -0.238  -1.683  0.00  0.00    +0.072 A 
ATOM      6  C   LIG    1        2.428  -0.121  -3.066  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        1.236  -0.130  -3.790  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        0.027  -0.253  -3.118  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        0.011  -0.364  -1.721  0.00  0.00    +0.011 A 
ATOM     10  N   LIG    1        3.641  -0.218  -1.066  0.00  0.00    -0.246 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -1.271  -0.490  -1.055  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1       -2.269   0.460  -1.022  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -2.441   1.819  -1.562  0.00  0.00    +0.163 C 
ATOM     14  N   LIG    1       -3.844   2.011  -1.909  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1       -4.873   1.550  -1.087  0.00  0.00    +0.238 C 
ATOM     16  C   LIG    1       -4.508   0.567   0.029  0.00  0.00    +0.171 C 
ATOM     17  C   LIG    1       -4.450   1.311   1.359  0.00  0.00    +0.041 C 
ATOM     18  O   LIG    1       -6.039   1.932  -1.212  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -4.141   3.055  -2.873  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -3.256  -0.106  -0.260  0.00  0.00    -0.318 N 
ATOM     21  C   LIG    1       -2.845  -1.351   0.121  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -1.639  -1.604  -0.339  0.00  0.00    -0.232 NA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.660  -2.361   0.978  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -2.921  -3.402   1.778  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.595  -2.259   2.479  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH   9  11
BRANCH   1  29
ATOM     26  C   LIG    1        8.257   0.891   2.648  0.00  0.00    +0.073 C 
ATOM     27  C   LIG    1        7.166   0.259   1.858  0.00  0.00    +0.076 A 
ATOM     28  S   LIG    1        5.614   0.993   1.795  0.00  0.00    -0.071 S 
ATOM     29  C   LIG    1        5.055  -0.283   0.794  0.00  0.00    +0.058 A 
ATOM     30  C   LIG    1        6.101  -1.148   0.539  0.00  0.00    +0.128 A 
ATOM     31  N   LIG    1        7.294  -0.858   1.174  0.00  0.00    -0.252 NA
ENDBRANCH   1  29
BRANCH   2  32
ATOM     32  C   LIG    1        2.623  -0.634   2.564  0.00  0.00    +0.374 C 
ATOM     33  F   LIG    1        1.505  -1.219   3.087  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        2.731   0.563   3.205  0.00  0.00    -0.204 F 
ENDBRANCH   2  32
TORSDOF 4