REMARK  Name = BDB060859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.478  -1.496  -4.143  0.00  0.00    -0.009 S 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        0.199   1.145  -1.942  0.00  0.00    +0.166 A 
ATOM      3  N   LIG    1        0.227   0.015  -2.721  0.00  0.00    -0.316 N 
ATOM      4  H   LIG    1        0.953  -0.683  -2.774  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1       -1.011  -0.082  -3.278  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -1.744   0.947  -2.932  0.00  0.00    -0.122 NA
ATOM      7  N   LIG    1       -0.982   1.724  -2.096  0.00  0.00    -0.128 NA
BRANCH   2   9
ATOM      8  C   LIG    1        0.947   2.462   0.026  0.00  0.00    +0.128 A 
ATOM      9  C   LIG    1        1.252   1.593  -1.037  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        2.579   1.163  -1.174  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        3.564   1.586  -0.273  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.234   2.439   0.778  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        1.922   2.878   0.929  0.00  0.00    +0.046 A 
BRANCH   8  14
ATOM     14  O   LIG    1       -0.329   2.913   0.262  0.00  0.00    -0.506 OA
ATOM     15  H   LIG    1       -0.834   2.805  -0.576  0.00  0.00    +0.292 HD
ENDBRANCH   8  14
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  S   LIG    1       -3.208  -1.938  -3.110  0.00  0.00    -0.009 S 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.483  -2.485  -1.647  0.00  0.00    +0.200 A 
ATOM     18  N   LIG    1       -2.358  -1.658  -0.575  0.00  0.00    -0.316 N 
ATOM     19  H   LIG    1       -2.645  -0.692  -0.500  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1       -1.577  -2.329   0.334  0.00  0.00    +0.166 A 
ATOM     21  N   LIG    1       -1.347  -3.544  -0.143  0.00  0.00    -0.128 NA
ATOM     22  N   LIG    1       -1.906  -3.635  -1.402  0.00  0.00    -0.122 NA
BRANCH  20  23
ATOM     23  C   LIG    1       -1.075  -1.758   1.582  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -1.094  -0.381   1.855  0.00  0.00    +0.128 A 
ATOM     25  C   LIG    1       -0.541   0.131   3.031  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        0.035  -0.734   3.960  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        0.052  -2.105   3.716  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -0.497  -2.611   2.535  0.00  0.00    +0.015 A 
BRANCH  24  29
ATOM     29  O   LIG    1       -1.641   0.490   0.947  0.00  0.00    -0.506 OA
ATOM     30  H   LIG    1       -1.311   1.389   1.155  0.00  0.00    +0.292 HD
ENDBRANCH  24  29
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7