REMARK  Name = BDB006059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.727   1.631  -0.787  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -5.582   1.537  -0.361  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -4.960   0.225  -0.135  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -3.665   0.198   0.347  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -2.980  -1.000   0.597  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -1.653  -1.038   1.088  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -1.073   0.110   1.314  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -1.696   1.318   1.085  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -1.202   2.176   1.291  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -3.653  -2.196   0.343  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -4.967  -2.187  -0.146  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -2.970   1.461   0.611  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -3.520   2.622   0.411  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -5.625  -0.976  -0.386  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -4.804   2.638  -0.067  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -5.219   3.552  -0.217  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1        0.368   0.131   1.822  0.00  0.00    +0.155 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.288   0.525   0.744  0.00  0.00    -0.309 NA
ATOM     19  H   LIG    1        0.930   1.336   0.244  0.00  0.00    +0.122 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.511  -0.574  -0.207  0.00  0.00    +0.086 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.544  -0.200  -1.284  0.00  0.00    +0.050 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.965  -0.163  -0.775  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1        4.753  -1.322  -0.784  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1        6.059  -1.279  -0.306  0.00  0.00    +0.124 A 
ATOM     25  F   LIG    1        6.803  -2.393  -0.322  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        6.603  -0.101   0.190  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        5.827   1.056   0.210  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        4.514   1.024  -0.269  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 5