REMARK  Name = BDB059347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.428   0.502   0.177  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.789  -0.129   0.358  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.923  -1.095   0.047  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.527   1.728   0.200  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.025  -0.471  -0.415  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -2.871   0.282  -0.199  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1       -1.624  -0.351  -0.059  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -1.551  -1.743  -0.143  0.00  0.00    +0.139 A 
ATOM      9  F   LIG    1       -0.372  -2.372  -0.013  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1       -2.695  -2.514  -0.367  0.00  0.00    -0.011 A 
ATOM     11  C   LIG    1       -2.603  -4.008  -0.427  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -3.930  -1.865  -0.488  0.00  0.00    +0.051 A 
BRANCH   5  13
ATOM     13  O   LIG    1       -5.294   0.014  -0.555  0.00  0.00    -0.492 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -5.693   2.034   0.728  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1       -5.490   1.425  -0.649  0.00  0.00    +0.225 C 
ENDBRANCH  13  15
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  N   LIG    1        2.030   0.770   0.230  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        1.742   1.763   0.216  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.952   0.471  -1.185  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1        2.689   1.533  -2.129  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        2.728  -0.921  -1.532  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.599   0.634  -0.601  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1        4.989   1.835  -0.023  0.00  0.00    +0.150 A 
ATOM     23  F   LIG    1        4.126   2.851   0.111  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1        6.291   1.998   0.443  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        7.205   0.949   0.326  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        6.814  -0.259  -0.256  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.508  -0.422  -0.722  0.00  0.00    +0.031 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 6