REMARK  Name = BDB051411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.127   1.627   0.787  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.020   0.251   0.603  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.214  -0.325   0.278  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        1.359   0.468   0.125  0.00  0.00    -0.037 A 
ATOM      5  C   LIG    1        1.247   1.850   0.311  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        0.013   2.421   0.632  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -2.257   2.326   1.100  0.00  0.00    -0.477 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -3.454   1.622   1.481  0.00  0.00    +0.285 C 
BRANCH   8  10
ATOM      9  O   LIG    1       -5.098   2.112   3.215  0.00  0.00    -0.247 OA
ATOM     10  C   LIG    1       -4.025   2.370   2.689  0.00  0.00    +0.346 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -3.217   3.358   3.149  0.00  0.00    -0.478 OA
ATOM     12  H   LIG    1       -2.407   3.404   2.593  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   8  10
BRANCH   8  13
ATOM     13  C   LIG    1       -4.487   1.683   0.348  0.00  0.00    +0.091 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.269   0.621  -0.704  0.00  0.00    -0.043 A 
ATOM     15  C   LIG    1       -4.794  -0.667  -0.526  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.572  -1.658  -1.482  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.824  -1.373  -2.623  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -3.298  -0.096  -2.809  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.521   0.898  -1.855  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1        2.689  -0.159  -0.212  0.00  0.00    +0.109 C 
BRANCH  20  21
ATOM     21  S   LIG    1        3.624  -0.580   1.296  0.00  0.00    -0.121 S 
BRANCH  21  22
ATOM     22  C   LIG    1        5.005  -1.431   0.558  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        5.228  -2.774   0.874  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        6.306  -3.462   0.313  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        7.173  -2.806  -0.560  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.965  -1.462  -0.868  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.886  -0.775  -0.307  0.00  0.00    +0.015 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 9