REMARK  Name = BDB050377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.592  -1.279   0.641  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.651  -1.480   1.320  0.00  0.00    -0.491 OA
BRANCH   2  11
ATOM      3  C   LIG    1        6.358   1.060   0.671  0.00  0.00    +0.211 C 
ATOM      4  C   LIG    1        6.504  -0.199   1.479  0.00  0.00    +0.327 C 
ATOM      5  O   LIG    1        7.559  -0.584   1.972  0.00  0.00    -0.249 OA
ATOM      6  O   LIG    1        5.311  -0.878   1.727  0.00  0.00    -0.425 OA
ATOM      7  C   LIG    1        4.134  -0.564   1.022  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        4.172   0.252  -0.105  0.00  0.00    -0.003 A 
ATOM      9  C   LIG    1        2.987   0.489  -0.802  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        1.782  -0.069  -0.354  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        1.757  -0.878   0.785  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1        2.945  -1.129   1.473  0.00  0.00    +0.092 A 
ATOM     13  C   LIG    1        5.488   0.805  -0.553  0.00  0.00    +0.065 C 
BRANCH   3  14
ATOM     14  C   LIG    1        7.694   1.598   0.239  0.00  0.00    +0.321 C 
ATOM     15  O   LIG    1        8.220   1.375  -0.844  0.00  0.00    -0.250 OA
BRANCH  14  17
ATOM     16  C   LIG    1        9.521   2.904   0.907  0.00  0.00    +0.280 C 
ATOM     17  O   LIG    1        8.225   2.388   1.214  0.00  0.00    -0.467 OA
ENDBRANCH  14  17
ENDBRANCH   3  14
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.677  -2.029   1.408  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.993  -1.978   0.723  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1       -3.806  -3.009   0.303  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1       -3.728  -4.479   0.348  0.00  0.00    +0.088 C 
ATOM     22  O   LIG    1       -4.918  -2.459  -0.269  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1       -4.722  -1.107  -0.166  0.00  0.00    +0.228 A 
ATOM     24  N   LIG    1       -3.585  -0.773   0.416  0.00  0.00    -0.214 NA
BRANCH  23  25
ATOM     25  C   LIG    1       -5.769  -0.242  -0.705  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -5.619   1.153  -0.633  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1       -6.599   2.022  -1.144  0.00  0.00    +0.056 A 
ATOM     28  C   LIG    1       -7.753   1.475  -1.721  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1       -7.917   0.092  -1.799  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.931  -0.759  -1.295  0.00  0.00    +0.013 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -6.420   3.516  -1.036  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1       -6.790   3.995   0.183  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -5.130   3.912  -1.220  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -7.154   4.212  -1.950  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8