REMARK  Name = BDB028666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.391  -0.361  -1.068  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        0.533   0.234  -0.124  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.874   0.210   1.214  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1       -0.094   0.832   1.937  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1       -1.092   1.275   1.086  0.00  0.00    -0.060 NA
ATOM      6  C   LIG    1        2.032  -0.369   1.725  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        2.892  -0.971   0.792  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1       -0.704   0.929  -0.144  0.00  0.00    +0.192 A 
ATOM      9  C   LIG    1        2.563  -0.968  -0.581  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        2.008  -0.639  -3.346  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        1.009  -0.318  -2.382  0.00  0.00    -0.494 OA
ENDBRANCH   1  11
BRANCH   8  12
ATOM     12  N   LIG    1       -1.426   1.178  -1.300  0.00  0.00    -0.196 N 
ATOM     13  H   LIG    1       -1.069   0.832  -2.188  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -2.789   2.128  -1.394  0.00  0.00    +0.076 S 
ATOM     15  O   LIG    1       -2.503   3.424  -0.823  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -3.231   2.024  -2.773  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.974   1.249  -0.431  0.00  0.00    +0.144 A 
ATOM     18  C   LIG    1       -4.471   1.781   0.750  0.00  0.00    +0.150 A 
ATOM     19  F   LIG    1       -4.073   2.969   1.218  0.00  0.00    -0.203 F 
ATOM     20  C   LIG    1       -5.418   1.073   1.491  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -5.891  -0.167   1.043  0.00  0.00    -0.048 A 
ATOM     22  C   LIG    1       -6.884  -0.940   1.860  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -5.385  -0.699  -0.150  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.436   0.009  -0.891  0.00  0.00    +0.032 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   7  25
ATOM     25  C   LIG    1        4.172  -1.629   1.260  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.349  -0.924   0.770  0.00  0.00    -0.267 N 
ATOM     27  N   LIG    1        5.982  -1.354  -0.343  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        6.998  -0.498  -0.477  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1        7.023   0.472   0.542  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        5.944   0.168   1.339  0.00  0.00    +0.108 A 
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 6