REMARK  Name = BDB016505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.290   5.558  -0.416  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.281   4.332  -0.269  0.00  0.00    +0.267 C 
ATOM      3  C   LIG    1       -1.459   3.672   0.371  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -1.761   2.399  -0.002  0.00  0.00    -0.242 NA
ATOM      5  C   LIG    1       -2.888   1.854   0.515  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -3.730   2.546   1.383  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -3.406   3.851   1.742  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -3.162   0.471   0.160  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -4.312  -0.329   0.347  0.00  0.00    +0.144 A 
ATOM     10  N   LIG    1       -4.124  -1.601  -0.016  0.00  0.00    -0.179 NA
ATOM     11  N   LIG    1       -2.846  -1.622  -0.438  0.00  0.00    -0.271 N 
ATOM     12  C   LIG    1       -2.204  -2.897  -0.703  0.00  0.00    +0.144 C 
ATOM     13  C   LIG    1       -1.166  -3.278   0.359  0.00  0.00    +0.034 C 
ATOM     14  C   LIG    1       -1.757  -3.332   1.772  0.00  0.00    +0.071 C 
ATOM     15  S   LIG    1       -0.459  -3.360   3.059  0.00  0.00    -0.159 S 
ATOM     16  C   LIG    1       -0.415  -1.581   3.508  0.00  0.00    +0.088 C 
ATOM     17  C   LIG    1        0.320  -0.737   2.471  0.00  0.00    +0.115 C 
ATOM     18  N   LIG    1        0.291   0.686   2.761  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1        0.108   1.000   3.704  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        0.650   1.720   1.912  0.00  0.00    +0.266 C 
ATOM     21  O   LIG    1        0.576   2.866   2.361  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1        1.133   1.439   0.540  0.00  0.00    +0.168 A 
ATOM     23  C   LIG    1        1.198   2.330  -0.583  0.00  0.00    +0.084 A 
ATOM     24  C   LIG    1        1.941   1.659  -1.529  0.00  0.00    +0.132 A 
ATOM     25  N   LIG    1        2.187   0.423  -1.020  0.00  0.00    -0.266 N 
ATOM     26  N   LIG    1        1.723   0.262   0.225  0.00  0.00    -0.164 NA
ATOM     27  C   LIG    1       -2.251  -0.394  -0.414  0.00  0.00    +0.118 A 
ATOM     28  C   LIG    1       -2.254   4.428   1.226  0.00  0.00    +0.033 A 
ATOM     29  N   LIG    1        0.748   3.612  -0.833  0.00  0.00    -0.277 N 
ATOM     30  H   LIG    1        1.252   4.139  -1.534  0.00  0.00    +0.155 HD
ENDROOT
BRANCH  25  31
ATOM     31  C   LIG    1        2.859  -0.690  -1.678  0.00  0.00    +0.112 C 
ATOM     32  C   LIG    1        4.252  -0.322  -2.187  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1        4.934  -1.547  -2.791  0.00  0.00    +0.162 C 
ATOM     34  O   LIG    1        4.010  -2.520  -3.281  0.00  0.00    -0.380 OA
ATOM     35  C   LIG    1        2.856  -1.940  -3.876  0.00  0.00    +0.162 C 
ATOM     36  C   LIG    1        1.997  -1.286  -2.801  0.00  0.00    +0.055 C 
ENDBRANCH  25  31
TORSDOF 1