REMARK  Name = BDB059379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.857  -0.811  -0.488  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.683  -2.066   0.072  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.157  -2.253   0.621  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.970  -0.346  -0.723  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.767   0.166  -1.125  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.628  -0.616  -0.904  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -0.374  -0.015  -0.735  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1       -0.260   1.377  -0.813  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.393   2.157  -1.038  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -2.644   1.553  -1.191  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1       -3.919  -0.555  -1.271  0.00  0.00    -0.492 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -5.467   0.461  -2.838  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1       -5.161   0.140  -1.386  0.00  0.00    +0.225 C 
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  N   LIG    1        1.951  -2.716   0.650  0.00  0.00    -0.108 NA
ATOM     15  H   LIG    1        2.788  -2.480   0.096  0.00  0.00    +0.172 HD
BRANCH  14  16
ATOM     16  S   LIG    1        2.216  -2.385   2.314  0.00  0.00    +0.076 S 
ATOM     17  O   LIG    1        3.095  -3.395   2.856  0.00  0.00    -0.152 OA
ATOM     18  O   LIG    1        0.906  -2.135   2.889  0.00  0.00    -0.152 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.095  -0.862   2.296  0.00  0.00    +0.143 A 
ATOM     20  C   LIG    1        4.282  -0.781   1.579  0.00  0.00    +0.150 A 
ATOM     21  F   LIG    1        4.739  -1.835   0.888  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1        4.998   0.411   1.539  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        4.517   1.530   2.224  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1        3.322   1.443   2.942  0.00  0.00    +0.020 A 
ATOM     25 BR   LIG    1        2.669   2.962   3.857  0.00  0.00    -0.050 Br
ATOM     26  C   LIG    1        2.603   0.249   2.987  0.00  0.00    +0.046 A 
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 6