REMARK  Name = BDB044933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.316  -0.447   0.353  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.077   0.515   1.020  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.453   0.348   1.188  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.092  -0.796   0.695  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1        2.325  -1.758   0.022  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.946  -1.585  -0.146  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.016  -0.155   0.259  0.00  0.00    -0.491 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -1.844  -1.086  -0.438  0.00  0.00    +0.235 C 
BRANCH   8  10
ATOM      9  C   LIG    1       -4.158  -1.675  -1.156  0.00  0.00    +0.014 C 
ATOM     10  C   LIG    1       -3.314  -0.585  -0.461  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -3.401   0.735  -1.275  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -4.619   1.570  -0.894  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1       -4.577   2.002   0.572  0.00  0.00    +0.000 C 
ATOM     14  C   LIG    1       -3.770   1.058   1.464  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1       -3.854  -0.388   0.984  0.00  0.00    +0.010 C 
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1        4.583  -0.980   0.856  0.00  0.00    +0.083 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.382  -0.314  -0.221  0.00  0.00    +0.058 A 
ATOM     18  C   LIG    1        6.077   0.834  -0.171  0.00  0.00    +0.204 A 
ATOM     19  N   LIG    1        6.733   1.148  -1.317  0.00  0.00    -0.287 N 
ATOM     20  H   LIG    1        7.285   1.986  -1.411  0.00  0.00    +0.172 HD
ATOM     21  C   LIG    1        6.609   0.262  -2.354  0.00  0.00    +0.291 A 
ATOM     22  O   LIG    1        7.110   0.344  -3.462  0.00  0.00    -0.260 OA
ATOM     23  S   LIG    1        5.580  -1.065  -1.801  0.00  0.00    -0.028 S 
BRANCH  18  24
ATOM     24  O   LIG    1        6.209   1.710   0.856  0.00  0.00    -0.493 OA
ATOM     25  H   LIG    1        5.671   1.404   1.604  0.00  0.00    +0.294 HD
ENDBRANCH  18  24
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6