REMARK  Name = BDB042703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.603   2.454  -0.295  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -0.238   2.336  -0.058  0.00  0.00    -0.019 A 
ATOM      3  C   LIG    1        0.717   3.483   0.082  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        0.146   0.937   0.102  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -0.946   0.073   0.100  0.00  0.00    +0.083 A 
ATOM      6  S   LIG    1       -2.391   0.945  -0.165  0.00  0.00    -0.070 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.505   0.420   0.292  0.00  0.00    +0.269 C 
ATOM      8  N   LIG    1        2.420   0.881  -0.633  0.00  0.00    -0.190 N 
ATOM      9  H   LIG    1        2.224   1.701  -1.191  0.00  0.00    +0.183 HD
ATOM     10  O   LIG    1        1.781  -0.392   1.173  0.00  0.00    -0.268 OA
BRANCH   8  11
ATOM     11  O   LIG    1        3.774   0.703  -0.260  0.00  0.00    -0.277 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.329  -0.406  -0.986  0.00  0.00    +0.218 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.851  -1.441   0.006  0.00  0.00    +0.186 C 
BRANCH  13  14
ATOM     14  O   LIG    1        3.780  -2.190   0.574  0.00  0.00    -0.393 OA
ATOM     15  H   LIG    1        3.162  -1.545   0.984  0.00  0.00    +0.209 HD
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  C   LIG    1       -1.800   4.779  -1.315  0.00  0.00    +0.092 C 
ATOM     17  C   LIG    1       -2.440   3.616  -0.596  0.00  0.00    +0.167 C 
ATOM     18  O   LIG    1       -3.635   3.691  -0.302  0.00  0.00    -0.292 OA
ENDBRANCH   1  17
BRANCH   5  19
ATOM     19  N   LIG    1       -0.873  -1.268   0.339  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -0.067  -1.603   0.878  0.00  0.00    +0.153 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.815  -2.303   0.143  0.00  0.00    +0.067 A 
ATOM     22  C   LIG    1       -1.766  -3.424   0.991  0.00  0.00    +0.145 A 
ATOM     23  F   LIG    1       -0.814  -3.488   1.936  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1       -2.672  -4.477   0.891  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1       -3.662  -4.423  -0.083  0.00  0.00    +0.016 A 
ATOM     26  I   LIG    1       -5.028  -5.978  -0.259  0.00  0.00    -0.044 I 
ATOM     27  C   LIG    1       -3.738  -3.330  -0.946  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1       -2.818  -2.278  -0.831  0.00  0.00    +0.027 A 
ENDBRANCH  19  21
ENDBRANCH   5  19
TORSDOF 8