REMARK  Name = BDB045803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.349  -0.429  -0.209  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.049  -0.804   0.936  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.424  -1.055   0.871  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.117  -0.933  -0.339  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        2.410  -0.556  -1.486  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.037  -0.308  -1.418  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.988  -0.155  -0.285  0.00  0.00    -0.491 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -1.746  -0.250   0.923  0.00  0.00    +0.235 C 
BRANCH   8  10
ATOM      9  C   LIG    1       -3.983  -0.025   1.999  0.00  0.00    +0.014 C 
ATOM     10  C   LIG    1       -3.236   0.100   0.654  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -3.346   1.546   0.110  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -4.757   1.919  -0.349  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1       -5.300   0.919  -1.364  0.00  0.00    +0.000 C 
ATOM     14  C   LIG    1       -5.239  -0.512  -0.843  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1       -3.829  -0.886  -0.384  0.00  0.00    +0.010 C 
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1        4.604  -1.186  -0.408  0.00  0.00    +0.059 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.440   0.096  -0.411  0.00  0.00    +0.146 C 
ATOM     18  C   LIG    1        6.888  -0.212  -0.733  0.00  0.00    +0.234 C 
ATOM     19  O   LIG    1        7.268  -0.908  -1.665  0.00  0.00    -0.274 OA
ATOM     20  N   LIG    1        7.745   0.384   0.141  0.00  0.00    -0.246 N 
ATOM     21  H   LIG    1        8.739   0.233   0.065  0.00  0.00    +0.158 HD
ATOM     22  C   LIG    1        7.238   0.935   1.266  0.00  0.00    +0.279 C 
ATOM     23  O   LIG    1        7.891   1.349   2.208  0.00  0.00    -0.263 OA
ATOM     24  S   LIG    1        5.496   0.930   1.216  0.00  0.00    -0.054 S 
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 5