REMARK  Name = BDB063224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.459  -0.633  -0.426  0.00  0.00    -0.045 A 
ATOM      2  C   LIG    1        2.444  -1.039   0.452  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        1.094  -0.753   0.185  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        0.754  -0.046  -0.987  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1       -0.597   0.237  -1.250  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -1.608  -0.167  -0.373  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1       -1.268  -0.864   0.784  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        1.773   0.359  -1.862  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        0.073  -1.153   1.060  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.111   0.072  -1.584  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        4.912  -0.925  -0.120  0.00  0.00    +0.059 C 
BRANCH  11  15
ATOM     12  O   LIG    1        8.974   0.365   2.342  0.00  0.00    -0.263 OA
ATOM     13  C   LIG    1        7.822   0.362   1.946  0.00  0.00    +0.279 C 
ATOM     14  S   LIG    1        7.372   0.310   0.263  0.00  0.00    -0.054 S 
ATOM     15  C   LIG    1        5.581   0.223   0.637  0.00  0.00    +0.146 C 
ATOM     16  C   LIG    1        5.529   0.038   2.144  0.00  0.00    +0.234 C 
ATOM     17  O   LIG    1        4.558  -0.334   2.788  0.00  0.00    -0.274 OA
ATOM     18  N   LIG    1        6.721   0.338   2.731  0.00  0.00    -0.246 N 
ATOM     19  H   LIG    1        6.836   0.211   3.725  0.00  0.00    +0.158 HD
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  O   LIG    1       -2.872   0.182  -0.762  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.947  -0.197   0.101  0.00  0.00    +0.267 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.265   0.284  -0.455  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -6.444  -0.359  -0.065  0.00  0.00    +0.130 A 
ATOM     24  F   LIG    1       -6.385  -1.405   0.772  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -7.690   0.064  -0.521  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -7.775   1.159  -1.377  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -6.613   1.826  -1.766  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.366   1.396  -1.303  0.00  0.00    +0.010 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5