REMARK  Name = BDB017166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.204   0.763  -1.408  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1       -0.732   1.207  -2.428  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.294   0.731  -1.333  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        1.991   0.185  -0.247  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        3.399   0.178  -0.221  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        4.118   0.727  -1.304  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        5.522   0.717  -1.273  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        6.221   0.173  -0.191  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        5.508  -0.368   0.876  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        3.415   1.270  -2.389  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        4.109  -0.366   0.860  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        2.018   1.271  -2.402  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  O   LIG    1        7.582   0.235  -0.302  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        8.341  -0.307   0.772  0.00  0.00    +0.277 C 
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  17
ATOM     15  N   LIG    1       -3.301   0.166   0.698  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -2.441   0.870  -0.262  0.00  0.00    +0.096 C 
ATOM     17  C   LIG    1       -1.033   0.243  -0.236  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -1.082  -1.296  -0.234  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -2.462  -1.815  -0.621  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -3.569  -1.215   0.258  0.00  0.00    +0.084 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.544   0.917   0.962  0.00  0.00    +0.112 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.411   0.336   2.100  0.00  0.00    +0.174 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -7.343  -0.500   0.987  0.00  0.00    +0.194 C 
ATOM     24  O   LIG    1       -6.168  -0.817   1.720  0.00  0.00    -0.382 OA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  15  21
ENDBRANCH   1  17
TORSDOF 6