REMARK  Name = BDB064054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.412   0.490  -0.291  0.00  0.00    -0.009 A 
ATOM      2  C   LIG    1       -2.473   1.686  -1.017  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.303   2.384  -1.354  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -0.057   1.860  -0.967  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        0.027   0.665  -0.251  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -1.155  -0.004   0.093  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        1.243   0.087   0.174  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1        1.167  -0.795   0.658  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1        2.528   0.465  -0.190  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1        3.463  -0.265   0.533  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        3.112  -0.722   1.361  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        2.797   1.317  -1.025  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1        4.866  -0.260   0.372  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1        5.616  -0.929   1.352  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1        7.014  -0.954   1.223  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        7.683  -0.348   0.158  0.00  0.00    +0.102 A 
ATOM     17  N   LIG    1        9.067  -0.472   0.187  0.00  0.00    -0.141 NA
ATOM     18  N   LIG    1        9.480  -1.154   1.242  0.00  0.00    -0.109 NA
ATOM     19  C   LIG    1        6.916   0.310  -0.820  0.00  0.00    +0.032 A 
ATOM     20  S   LIG    1        8.227  -1.662   2.221  0.00  0.00    +0.037 S 
ATOM     21  C   LIG    1        5.517   0.345  -0.704  0.00  0.00    +0.025 A 
ENDBRANCH  10  13
ENDBRANCH   5   7
BRANCH   1  24
ATOM     22  C   LIG    1       -5.817  -1.414   0.041  0.00  0.00    +0.055 A 
ATOM     23  S   LIG    1       -4.801  -0.634  -1.098  0.00  0.00    -0.085 S 
ATOM     24  C   LIG    1       -3.630  -0.234   0.087  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -4.004  -0.703   1.331  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1       -5.262  -1.376   1.307  0.00  0.00    +0.019 A 
BRANCH  22  28
ATOM     27  C   LIG    1       -7.931  -2.661   0.649  0.00  0.00    +0.092 C 
ATOM     28  C   LIG    1       -7.076  -2.000  -0.408  0.00  0.00    +0.167 C 
ATOM     29  O   LIG    1       -7.469  -1.984  -1.575  0.00  0.00    -0.292 OA
ENDBRANCH  22  28
ENDBRANCH   1  24
BRANCH   3  30
ATOM     30  C   LIG    1       -1.370   3.666  -2.147  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1       -1.123   3.473  -3.471  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -2.589   4.273  -2.079  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -0.473   4.599  -1.726  0.00  0.00    -0.166 F 
ENDBRANCH   3  30
TORSDOF 5