REMARK  Name = BDB058870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.088  -0.921  -1.512  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.102  -0.937  -0.284  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.282  -1.013   0.438  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.314  -0.594   1.370  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.155  -0.830   0.504  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.280  -0.265  -0.116  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -3.500  -0.135   0.568  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -3.563  -0.595   1.894  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -2.451  -1.171   2.514  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.248  -1.293   1.821  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.677   0.464  -0.086  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1       -5.405   1.492   0.533  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -6.516   2.049  -0.096  0.00  0.00    +0.124 A 
ATOM     14  F   LIG    1       -7.194   3.030   0.515  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -6.932   1.606  -1.344  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1       -6.225   0.588  -1.976  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -5.108   0.023  -1.351  0.00  0.00    +0.009 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  N   LIG    1        2.566  -0.771  -0.391  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.323  -0.738  -1.395  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.364   0.691   0.013  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        3.146   1.612  -1.079  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        2.988   1.015   1.376  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.058   0.173   0.002  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        5.856   0.432  -1.116  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        7.195   0.040  -1.107  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        7.729  -0.598   0.014  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.930  -0.843   1.132  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.591  -0.455   1.132  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5