REMARK  Name = BDB048020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.071  -0.056  -1.128  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -0.292   0.088  -1.348  0.00  0.00    -0.332 N 
ATOM      3  C   LIG    1       -0.564   1.333  -1.897  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.650   2.014  -1.986  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        0.670   3.324  -2.503  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.525   3.921  -2.914  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.728   3.229  -2.818  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.770   1.927  -2.309  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        1.658   1.143  -1.500  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1        2.796  -0.983   0.203  0.00  0.00    -0.185 N 
ATOM     11  H   LIG    1        3.024  -0.028   0.461  0.00  0.00    +0.176 HD
ATOM     12  C   LIG    1        1.702  -1.254  -0.618  0.00  0.00    +0.279 C 
ATOM     13  O   LIG    1        1.342  -2.390  -0.886  0.00  0.00    -0.267 OA
BRANCH  10  15
ATOM     14  C   LIG    1        4.355  -3.166   0.020  0.00  0.00    +0.218 C 
ATOM     15  S   LIG    1        3.511  -2.110   1.181  0.00  0.00    +0.043 S 
ATOM     16  O   LIG    1        4.518  -1.379   1.924  0.00  0.00    -0.155 OA
ATOM     17  O   LIG    1        2.488  -2.863   1.868  0.00  0.00    -0.155 OA
ENDBRANCH  10  15
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -1.311  -0.902  -0.992  0.00  0.00    +0.157 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.570  -0.913   0.497  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1       -2.236   0.157   1.119  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1       -2.463   0.164   2.506  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1       -1.998  -0.911   3.275  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -1.339  -1.979   2.668  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -1.132  -1.983   1.289  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -3.156   1.334   3.162  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1       -4.093   1.914   2.359  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -2.290   2.327   3.502  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -3.811   0.998   4.308  0.00  0.00    -0.166 F 
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 5