REMARK  Name = BDB006886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.470   0.160   1.190  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.229  -0.866   0.572  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.627  -1.015   0.549  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        1.987  -2.140  -0.201  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1        3.323  -2.493  -0.374  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        4.307  -1.701   0.217  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        3.935  -0.577   0.971  0.00  0.00    +0.107 A 
ATOM      8  C   LIG    1        0.771  -2.859  -0.737  0.00  0.00    +0.008 C 
ATOM      9  C   LIG    1        0.651  -4.265  -0.139  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.784  -2.928  -2.268  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.592  -0.224   1.149  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -0.374  -1.944  -0.234  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1        0.054   1.100   1.794  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  S   LIG    1        5.188   0.433   1.720  0.00  0.00    +0.060 S 
ATOM     15  O   LIG    1        4.936   0.440   3.145  0.00  0.00    -0.153 OA
ATOM     16  O   LIG    1        6.476   0.032   1.190  0.00  0.00    -0.153 OA
BRANCH  14  17
ATOM     17  N   LIG    1        4.855   1.992   1.097  0.00  0.00    -0.183 NA
ATOM     18  C   LIG    1        5.527   3.072   1.850  0.00  0.00    +0.131 C 
ATOM     19  C   LIG    1        5.049   2.139  -0.362  0.00  0.00    +0.131 C 
ENDBRANCH  14  17
ENDBRANCH   7  14
BRANCH   1  20
ATOM     20  C   LIG    1       -2.005   0.099   1.103  0.00  0.00    +0.181 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -3.971   0.297  -0.392  0.00  0.00    +0.097 C 
ATOM     22  N   LIG    1       -2.496   0.472  -0.242  0.00  0.00    -0.286 NA
ATOM     23  C   LIG    1       -2.159   1.875  -0.589  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -2.975   2.948   0.182  0.00  0.00    +0.065 C 
ATOM     25  C   LIG    1       -2.623   4.346  -0.322  0.00  0.00    +0.025 C 
ATOM     26  N   LIG    1       -4.428   2.744   0.039  0.00  0.00    -0.311 NA
ATOM     27  H   LIG    1       -4.925   3.396   0.646  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -4.801   1.364   0.380  0.00  0.00    +0.102 C 
BRANCH  21  29
ATOM     29  C   LIG    1       -4.505  -1.121  -0.050  0.00  0.00    +0.179 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -3.845  -2.261  -2.037  0.00  0.00    +0.194 C 
ATOM     31  O   LIG    1       -3.745  -2.193  -0.621  0.00  0.00    -0.381 OA
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 6