REMARK  Name = BDB011104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.214  -0.964   0.953  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        2.283  -1.795   1.292  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        3.601  -1.343   1.186  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.868  -0.047   0.736  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        2.793   0.785   0.395  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.474   0.330   0.503  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.020  -1.532   1.105  0.00  0.00    -0.484 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -1.149  -0.731   0.771  0.00  0.00    +0.310 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.438  -1.511   0.997  0.00  0.00    +0.218 C 
ATOM     10  O   LIG    1       -2.483  -2.668   1.413  0.00  0.00    -0.287 OA
BRANCH   9  14
ATOM     11  C   LIG    1       -5.997   0.595   0.089  0.00  0.00    -0.029 A 
ATOM     12  C   LIG    1       -4.724   1.141  -0.058  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1       -3.576   0.485   0.228  0.00  0.00    -0.252 NA
ATOM     14  C   LIG    1       -3.701  -0.787   0.682  0.00  0.00    +0.110 A 
ATOM     15  C   LIG    1       -4.923  -1.424   0.857  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1       -6.085  -0.720   0.553  0.00  0.00    +0.007 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -7.620   1.189  -1.724  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -7.227   1.382  -0.267  0.00  0.00    +0.033 C 
ENDBRANCH  11  18
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1        5.289   0.448   0.605  0.00  0.00    +0.059 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.816   0.413  -0.831  0.00  0.00    +0.146 C 
ATOM     21  C   LIG    1        7.128   1.162  -0.933  0.00  0.00    +0.234 C 
ATOM     22  O   LIG    1        7.325   2.293  -0.508  0.00  0.00    -0.274 OA
ATOM     23  N   LIG    1        8.087   0.435  -1.570  0.00  0.00    -0.246 N 
ATOM     24  H   LIG    1        9.020   0.801  -1.681  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        7.843  -0.868  -1.832  0.00  0.00    +0.279 C 
ATOM     26  O   LIG    1        8.655  -1.666  -2.267  0.00  0.00    -0.263 OA
ATOM     27  S   LIG    1        6.199  -1.274  -1.423  0.00  0.00    -0.054 S 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 7