REMARK  Name = BDB051370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.918   0.347   0.802  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -2.003   0.562   1.834  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -0.649   0.275   1.645  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -0.190  -0.221   0.423  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.100  -0.424  -0.614  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -2.458  -0.135  -0.426  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -4.637   0.728   1.074  0.00  0.00    -0.111 S 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.402  -0.920   0.777  0.00  0.00    +0.160 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.840  -1.955   1.737  0.00  0.00    +0.318 C 
ATOM     10  O   LIG    1       -4.314  -3.009   1.410  0.00  0.00    -0.250 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -4.990  -1.657   3.043  0.00  0.00    -0.480 OA
ATOM     12  H   LIG    1       -4.562  -2.405   3.510  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1       -6.933  -0.876   0.908  0.00  0.00    +0.026 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -7.673   0.015  -0.098  0.00  0.00    +0.001 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -8.308   0.435  -2.500  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -7.446  -0.389  -1.556  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        1.155  -0.460   0.373  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.683  -0.968  -0.851  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.187  -1.160  -0.698  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.905   0.147  -0.376  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1        5.307  -0.120  -0.369  0.00  0.00    -0.488 OA
BRANCH  21  22
ATOM     22  C   LIG    1        6.158   0.931  -0.135  0.00  0.00    +0.162 A 
ATOM     23  C   LIG    1        7.536   0.640  -0.211  0.00  0.00    +0.161 A 
ATOM     24  C   LIG    1        8.470   1.658   0.016  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        8.044   2.953   0.319  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        6.684   3.239   0.397  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.743   2.232   0.171  0.00  0.00    +0.049 A 
BRANCH  23  28
ATOM     28  O   LIG    1        7.863  -0.658  -0.517  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        9.241  -0.997  -0.560  0.00  0.00    +0.277 C 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 14