REMARK  Name = BDB054708
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.250   0.394   0.923  0.00  0.00    +0.090 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.193   0.796   0.731  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        1.912   1.904   1.156  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.430   3.063   1.955  0.00  0.00    +0.066 C 
ATOM      5  N   LIG    1        3.250   1.903   0.791  0.00  0.00    -0.244 NA
ATOM      6  C   LIG    1        3.558   0.833   0.084  0.00  0.00    +0.109 A 
ATOM      7  S   LIG    1        2.239  -0.240  -0.165  0.00  0.00    -0.071 S 
BRANCH   6   8
ATOM      8  C   LIG    1        4.909   0.569  -0.456  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        5.263  -0.613  -1.126  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        6.562  -0.806  -1.615  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        7.544   0.180  -1.452  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        7.204   1.357  -0.776  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        5.905   1.547  -0.289  0.00  0.00    +0.011 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.948  -0.037  -1.959  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        9.761  -0.582  -1.012  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        9.007  -0.878  -3.030  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        9.557   1.114  -2.358  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     18  C   LIG    1        0.090  -0.635   3.235  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -0.688   0.375   2.398  0.00  0.00    +0.016 C 
ENDBRANCH   1  19
BRANCH   1  20
ATOM     20  S   LIG    1       -1.327   1.532  -0.057  0.00  0.00    -0.117 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.797   0.538  -0.212  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -2.800  -0.632  -0.975  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1       -3.966  -1.406  -1.101  0.00  0.00    -0.008 A 
ATOM     24  C   LIG    1       -3.942  -2.659  -1.932  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1       -5.141  -0.993  -0.451  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -5.146   0.196   0.284  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1       -3.978   0.956   0.401  0.00  0.00    +0.018 A 
BRANCH  25  28
ATOM     28  O   LIG    1       -6.245  -1.783  -0.647  0.00  0.00    -0.481 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -7.262  -1.748   0.356  0.00  0.00    +0.349 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -8.384  -0.790  -0.010  0.00  0.00    +0.343 C 
ATOM     31  O   LIG    1       -9.275  -0.456   0.757  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -8.317  -0.348  -1.290  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -7.522  -0.713  -1.737  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 10