REMARK  Name = BDB048599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.010  -0.364   0.366  0.00  0.00    -0.037 A 
ATOM      2  C   LIG    1       -0.641  -0.206  -0.865  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1       -2.037  -0.112  -0.931  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -2.799  -0.169   0.235  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -2.154  -0.319   1.464  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.762  -0.412   1.533  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.514  -0.454   0.434  0.00  0.00    +0.109 C 
BRANCH   7   8
ATOM      8  S   LIG    1        2.271   1.197   0.601  0.00  0.00    -0.121 S 
BRANCH   8  14
ATOM      9  C   LIG    1        6.577  -1.354   2.311  0.00  0.00    +0.047 C 
ATOM     10  C   LIG    1        5.954  -0.438   1.293  0.00  0.00    -0.008 A 
ATOM     11  C   LIG    1        6.717   0.083   0.232  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1        6.109   0.934  -0.695  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        4.755   1.267  -0.570  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        3.990   0.748   0.474  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.596  -0.094   1.409  0.00  0.00    +0.021 A 
BRANCH  11  16
ATOM     16  O   LIG    1        8.028  -0.310   0.203  0.00  0.00    -0.481 OA
BRANCH  16  17
ATOM     17  C   LIG    1        8.898   0.274  -0.754  0.00  0.00    +0.349 C 
BRANCH  17  18
ATOM     18  C   LIG    1        8.829  -0.340  -2.145  0.00  0.00    +0.343 C 
ATOM     19  O   LIG    1        8.140  -1.272  -2.523  0.00  0.00    -0.247 OA
BRANCH  18  20
ATOM     20  O   LIG    1        9.662   0.277  -3.012  0.00  0.00    -0.478 OA
ATOM     21  H   LIG    1        9.533  -0.217  -3.850  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  11  16
ENDBRANCH   8  14
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  O   LIG    1       -4.162  -0.090   0.314  0.00  0.00    -0.487 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.872   0.100  -0.906  0.00  0.00    +0.264 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -6.343   0.188  -0.581  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -7.160  -0.948  -0.656  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -8.518  -0.866  -0.338  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -9.083   0.349   0.077  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1       -8.262   1.484   0.157  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1       -6.904   1.402  -0.161  0.00  0.00    +0.007 A 
BRANCH  27  30
ATOM     30  C   LIG    1      -10.553   0.441   0.400  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1      -11.305   0.749  -0.693  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1      -11.068  -0.721   0.892  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1      -10.840   1.395   1.330  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 11