REMARK  Name = BDB060862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.380   3.975  -0.847  0.00  0.00    -0.009 S 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -2.585   0.675   0.701  0.00  0.00    +0.162 A 
ATOM      3  N   LIG    1       -2.672   1.713  -0.194  0.00  0.00    -0.316 N 
ATOM      4  H   LIG    1       -3.342   1.828  -0.938  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1       -1.669   2.575   0.119  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -0.998   2.120   1.149  0.00  0.00    -0.122 NA
ATOM      7  N   LIG    1       -1.572   0.927   1.516  0.00  0.00    -0.128 NA
BRANCH   2  10
ATOM      8  C   LIG    1       -5.153  -1.948  -0.254  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -4.314  -0.832  -0.333  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1       -3.475  -0.487   0.743  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -3.490  -1.290   1.893  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -4.328  -2.401   1.977  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -5.157  -2.724   0.906  0.00  0.00    +0.045 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.005  -1.681  -2.464  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -6.011  -2.381  -1.227  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   2  10
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  S   LIG    1       -0.005   4.981   0.312  0.00  0.00    -0.009 S 
BRANCH  16  17
ATOM     17  C   LIG    1        1.405   4.065  -0.061  0.00  0.00    +0.200 A 
ATOM     18  N   LIG    1        1.636   2.863   0.529  0.00  0.00    -0.316 N 
ATOM     19  H   LIG    1        1.013   2.400   1.177  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1        2.800   2.381  -0.010  0.00  0.00    +0.162 A 
ATOM     21  N   LIG    1        3.268   3.297  -0.843  0.00  0.00    -0.128 NA
ATOM     22  N   LIG    1        2.384   4.359  -0.877  0.00  0.00    -0.122 NA
BRANCH  20  23
ATOM     23  C   LIG    1        3.394   1.081   0.304  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        4.706   0.805  -0.108  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1        5.317  -0.422   0.173  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        4.604  -1.395   0.872  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1        3.294  -1.140   1.283  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        2.691   0.088   1.001  0.00  0.00    +0.012 A 
BRANCH  25  29
ATOM     29  O   LIG    1        6.601  -0.541  -0.285  0.00  0.00    -0.495 OA
ATOM     30  C   LIG    1        7.272  -1.764  -0.015  0.00  0.00    +0.277 C 
ENDBRANCH  25  29
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7