REMARK  Name = BDB060113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.715   0.794   0.559  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -2.077   0.555  -0.664  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -0.720   0.223  -0.700  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        0.026   0.132   0.481  0.00  0.00    +0.086 A 
ATOM      5  C   LIG    1       -0.616   0.356   1.702  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -1.974   0.687   1.744  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        1.385  -0.232   0.475  0.00  0.00    -0.149 NA
ATOM      8  N   LIG    1        2.066   0.619  -0.141  0.00  0.00    -0.149 NA
BRANCH   8   9
ATOM      9  C   LIG    1        3.425   0.260  -0.139  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        4.358   1.112   0.460  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        5.720   0.797   0.455  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        6.178  -0.374  -0.168  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        5.244  -1.227  -0.774  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        3.882  -0.907  -0.765  0.00  0.00    +0.030 A 
BRANCH  12  15
ATOM     15  C   LIG    1        7.646  -0.727  -0.156  0.00  0.00    +0.417 C 
ATOM     16  F   LIG    1        8.459   0.366  -0.141  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        8.030  -1.459  -1.239  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        7.991  -1.464   0.935  0.00  0.00    -0.166 F 
ENDBRANCH  12  15
ENDBRANCH   8   9
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -4.188   1.139   0.612  0.00  0.00    +0.059 C 
BRANCH  19  23
ATOM     20  O   LIG    1       -8.832  -0.471   0.529  0.00  0.00    -0.263 OA
ATOM     21  C   LIG    1       -7.614  -0.474   0.514  0.00  0.00    +0.279 C 
ATOM     22  S   LIG    1       -6.623   0.350   1.688  0.00  0.00    -0.054 S 
ATOM     23  C   LIG    1       -5.063  -0.095   0.840  0.00  0.00    +0.146 C 
ATOM     24  C   LIG    1       -5.518  -0.737  -0.459  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -4.814  -0.954  -1.436  0.00  0.00    -0.274 OA
ATOM     26  N   LIG    1       -6.841  -1.059  -0.429  0.00  0.00    -0.246 N 
ATOM     27  H   LIG    1       -7.282  -1.450  -1.247  0.00  0.00    +0.158 HD
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5