REMARK  Name = BDB059337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.286   0.734   1.823  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.267   0.855   0.601  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.913   1.004  -0.109  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.951   0.678  -1.077  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.523   0.805  -0.195  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.646   0.187   0.379  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -3.865   0.104  -0.314  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -3.929   0.665  -1.601  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -2.820   1.293  -2.173  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.617   1.368  -1.472  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -5.038  -0.546   0.287  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -5.493  -0.214   1.560  0.00  0.00    +0.143 A 
ATOM     13  N   LIG    1       -6.571  -0.786   2.143  0.00  0.00    -0.157 NA
ATOM     14  N   LIG    1       -7.261  -1.741   1.472  0.00  0.00    -0.158 NA
ATOM     15  C   LIG    1       -6.857  -2.100   0.238  0.00  0.00    +0.135 A 
ATOM     16  C   LIG    1       -5.762  -1.531  -0.386  0.00  0.00    +0.031 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.198   0.696   0.692  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        1.965   0.583   1.695  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.996  -0.729   0.169  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        2.733  -1.776   1.129  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        2.648  -0.884  -1.233  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.689  -0.277   0.273  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        5.196   0.140   1.496  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1        4.412   0.217   2.580  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        6.536   0.498   1.612  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        7.370   0.436   0.495  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        6.860   0.016  -0.737  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.516  -0.343  -0.853  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5