REMARK  Name = BDB051366
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.141   0.408   1.707  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1        2.476  -0.770   2.051  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        1.207  -1.053   1.529  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        0.585  -0.151   0.668  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.240   1.039   0.345  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        2.506   1.322   0.864  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1        4.749   0.793   2.368  0.00  0.00    -0.111 S 
BRANCH   7   8
ATOM      8  C   LIG    1        5.847  -0.289   1.353  0.00  0.00    +0.160 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.698  -1.736   1.793  0.00  0.00    +0.318 C 
ATOM     10  O   LIG    1        5.105  -2.629   1.209  0.00  0.00    -0.250 OA
BRANCH   9  11
ATOM     11  O   LIG    1        6.319  -2.000   2.963  0.00  0.00    -0.480 OA
ATOM     12  H   LIG    1        6.136  -2.949   3.126  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1        5.689  -0.153  -0.171  0.00  0.00    +0.026 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.071   1.232  -0.706  0.00  0.00    +0.001 C 
BRANCH  14  16
ATOM     15  C   LIG    1        6.736   0.483  -3.057  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        5.843   1.379  -2.213  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       -0.644  -0.292   0.091  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.370  -1.506   0.287  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.212  -1.454   1.562  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.262  -0.345   1.522  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -4.210  -0.658   0.502  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -5.227   0.234   0.275  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -6.102  -0.086  -0.787  0.00  0.00    -0.006 A 
ATOM     24  C   LIG    1       -5.869  -1.337  -1.599  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1       -7.149   0.805  -1.119  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1       -8.090   0.535  -2.263  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -7.335   1.966  -0.354  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.484   2.260   0.707  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -5.431   1.401   1.017  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 13