REMARK  Name = BDB051371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.937  -0.287  -0.759  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1        2.218   0.709  -0.098  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        0.885   0.493   0.261  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        0.252  -0.714  -0.044  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.965  -1.706  -0.717  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        2.301  -1.490  -1.077  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1        4.635   0.014  -1.208  0.00  0.00    -0.111 S 
BRANCH   7   8
ATOM      8  C   LIG    1        5.482  -1.254  -0.182  0.00  0.00    +0.160 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.198  -1.119   1.302  0.00  0.00    +0.318 C 
ATOM     10  O   LIG    1        5.095  -2.058   2.080  0.00  0.00    -0.250 OA
BRANCH   9  11
ATOM     11  O   LIG    1        5.128   0.141   1.772  0.00  0.00    -0.480 OA
ATOM     12  H   LIG    1        4.947   0.032   2.729  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1        6.990  -1.349  -0.470  0.00  0.00    +0.026 C 
BRANCH  13  14
ATOM     14  C   LIG    1        7.929  -0.316   0.171  0.00  0.00    +0.001 C 
BRANCH  14  16
ATOM     15  C   LIG    1        8.887   2.012   0.176  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        7.781   1.110  -0.353  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1       -1.050  -0.794   0.364  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.757  -1.996   0.061  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.183  -1.874   0.585  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.933  -0.708  -0.054  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -5.281  -0.749   0.420  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -6.134   0.213  -0.046  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -7.447   0.109   0.423  0.00  0.00    +0.091 A 
ATOM     24  C   LIG    1       -8.431   1.022   0.033  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -8.092   2.054  -0.841  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -6.782   2.167  -1.313  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -5.805   1.250  -0.918  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  O   LIG    1       -9.669   0.795   0.570  0.00  0.00    -0.495 OA
ATOM     29  C   LIG    1      -10.702   1.702   0.209  0.00  0.00    +0.277 C 
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 14