REMARK  Name = BDB051372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.237  -0.706  -1.163  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1        2.087  -0.121  -0.627  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        0.868  -0.809  -0.643  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        0.790  -2.086  -1.200  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.940  -2.664  -1.742  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        3.158  -1.979  -1.729  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1        4.789   0.167  -1.142  0.00  0.00    -0.111 S 
BRANCH   7   8
ATOM      8  C   LIG    1        5.292  -0.159   0.600  0.00  0.00    +0.160 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.637  -1.631   0.774  0.00  0.00    +0.318 C 
ATOM     10  O   LIG    1        6.168  -2.384  -0.025  0.00  0.00    -0.250 OA
BRANCH   9  11
ATOM     11  O   LIG    1        5.329  -2.081   2.012  0.00  0.00    -0.480 OA
ATOM     12  H   LIG    1        5.599  -3.024   1.989  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1        6.506   0.695   1.000  0.00  0.00    +0.026 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.151   2.013   1.705  0.00  0.00    +0.001 C 
BRANCH  14  16
ATOM     15  C   LIG    1        5.219   4.346   1.545  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        5.398   3.015   0.832  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       -0.331  -2.865  -1.278  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.542  -2.308  -0.763  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.659  -3.324  -0.989  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.974  -2.871  -0.366  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -4.347  -1.621  -0.946  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -5.272  -0.879  -0.258  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -5.220   0.519  -0.435  0.00  0.00    -0.003 A 
ATOM     24  C   LIG    1       -6.138   1.317   0.272  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -7.103   0.742   1.100  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -7.166  -0.640   1.237  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.255  -1.449   0.559  0.00  0.00    +0.046 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -4.163   1.157  -1.329  0.00  0.00    +0.016 C 
ATOM     29  C   LIG    1       -3.000   1.682  -0.485  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -4.719   2.264  -2.232  0.00  0.00    +0.012 C 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 14