REMARK  Name = BDB028655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.837  -1.257  -0.490  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -0.031  -0.105  -0.400  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -0.469   0.976   0.340  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1        0.465   1.961   0.295  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1        1.540   1.544  -0.473  0.00  0.00    -0.060 NA
ATOM      6  C   LIG    1       -1.681   1.024   1.020  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.495  -0.119   0.935  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        1.231   0.315  -0.894  0.00  0.00    +0.192 A 
ATOM      9  C   LIG    1       -2.070  -1.239   0.189  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -1.181  -3.448  -1.367  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -0.349  -2.302  -1.226  0.00  0.00    -0.494 OA
ENDBRANCH   1  11
BRANCH   8  12
ATOM     12  N   LIG    1        2.047  -0.473  -1.690  0.00  0.00    -0.196 N 
ATOM     13  H   LIG    1        1.779  -1.443  -1.853  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1        3.581  -0.066  -2.182  0.00  0.00    +0.076 S 
ATOM     15  O   LIG    1        3.519   1.167  -2.938  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        4.159  -1.254  -2.777  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        4.463   0.238  -0.691  0.00  0.00    +0.146 A 
ATOM     18  C   LIG    1        4.517  -0.762   0.270  0.00  0.00    +0.185 A 
ATOM     19  F   LIG    1        3.894  -1.935   0.087  0.00  0.00    -0.200 F 
ATOM     20  C   LIG    1        5.213  -0.535   1.451  0.00  0.00    +0.160 A 
ATOM     21  F   LIG    1        5.266  -1.489   2.390  0.00  0.00    -0.202 F 
ATOM     22  C   LIG    1        5.856   0.680   1.679  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        5.799   1.685   0.711  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.102   1.466  -0.479  0.00  0.00    +0.032 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   7  25
ATOM     25  C   LIG    1       -3.830  -0.139   1.648  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.787   0.759   1.017  0.00  0.00    -0.267 N 
ATOM     27  N   LIG    1       -5.021   1.978   1.548  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1       -5.939   2.506   0.735  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1       -6.304   1.629  -0.303  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -5.547   0.501  -0.090  0.00  0.00    +0.108 A 
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 6