REMARK  Name = BDB059328
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.273   0.308   0.800  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.349   0.815   0.088  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.247   0.945  -0.922  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.425  -0.357   1.821  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.424  -0.070   0.123  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -2.133  -0.268   0.621  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.080   0.575   0.241  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1       -1.330   1.642  -0.629  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.620   1.846  -1.121  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.662   0.992  -0.749  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1       -4.346  -0.970   0.577  0.00  0.00    -0.489 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -6.565  -0.032   0.808  0.00  0.00    +0.051 C 
ATOM     13  C   LIG    1       -5.662  -0.973   0.016  0.00  0.00    +0.167 C 
ATOM     14  C   LIG    1       -6.181  -2.405   0.123  0.00  0.00    +0.051 C 
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  N   LIG    1        2.725   0.229   0.492  0.00  0.00    -0.108 NA
ATOM     16  H   LIG    1        2.604  -0.410   1.296  0.00  0.00    +0.172 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.482  -0.653  -0.775  0.00  0.00    +0.076 S 
ATOM     18  O   LIG    1        2.862  -0.201  -2.005  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1        3.463  -2.034  -0.348  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1        5.138  -0.071  -0.753  0.00  0.00    +0.142 A 
ATOM     21  C   LIG    1        6.083  -0.790  -1.472  0.00  0.00    +0.150 A 
ATOM     22  F   LIG    1        5.739  -1.874  -2.180  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        7.416  -0.386  -1.483  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        7.801   0.749  -0.768  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        6.852   1.476  -0.047  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.515   1.069  -0.037  0.00  0.00    +0.031 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 6