REMARK  Name = BDB048017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.175   0.922   0.561  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -0.931   0.642   1.352  0.00  0.00    -0.332 N 
ATOM      3  C   LIG    1       -1.608   1.811   1.668  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.937   2.856   1.032  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -1.419   4.173   1.174  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.561   4.409   1.944  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.219   3.356   2.570  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -2.757   2.042   2.444  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        0.166   2.292   0.344  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        1.482  -1.034   0.741  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1        1.124  -0.064   0.092  0.00  0.00    +0.280 C 
ATOM     12  N   LIG    1        1.594   0.214  -1.189  0.00  0.00    -0.180 N 
ATOM     13  H   LIG    1        1.228   0.993  -1.724  0.00  0.00    +0.177 HD
BRANCH  12  14
ATOM     14  S   LIG    1        2.533  -0.817  -2.082  0.00  0.00    +0.075 S 
ATOM     15  O   LIG    1        2.016  -2.163  -1.982  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        2.691  -0.177  -3.372  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        4.105  -0.734  -1.257  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        5.019   0.267  -1.611  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        6.263   0.312  -0.980  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        6.582  -0.641  -0.017  0.00  0.00    +0.124 A 
ATOM     21  F   LIG    1        7.776  -0.592   0.586  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        5.682  -1.646   0.327  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1        4.437  -1.700  -0.300  0.00  0.00    +0.031 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   1  11
BRANCH   2  24
ATOM     24  C   LIG    1       -1.364  -0.701   1.746  0.00  0.00    +0.157 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.000  -1.436   0.588  0.00  0.00    -0.027 A 
ATOM     26  C   LIG    1       -3.242  -1.030   0.072  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1       -3.831  -1.698  -1.016  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1       -3.151  -2.776  -1.598  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1       -1.920  -3.190  -1.092  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -1.351  -2.529  -0.004  0.00  0.00    +0.005 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -5.153  -1.230  -1.574  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1       -5.984  -0.724  -0.619  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -5.005  -0.245  -2.501  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -5.858  -2.221  -2.189  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 6