REMARK  Name = BDB028643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.735  -1.191  -2.639  0.00  0.00    -0.196 N 
ATOM      2  H   LIG    1       -0.466  -2.150  -2.425  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.119  -0.180  -2.217  0.00  0.00    +0.192 A 
ATOM      4  C   LIG    1        1.416  -0.417  -1.688  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        1.890   0.849  -1.407  0.00  0.00    +0.173 A 
ATOM      6  C   LIG    1        3.142   1.117  -0.865  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.959   0.007  -0.592  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        3.497  -1.298  -0.862  0.00  0.00    +0.052 A 
ATOM      9  O   LIG    1        0.946   1.769  -1.738  0.00  0.00    -0.353 OA
ATOM     10  C   LIG    1        2.224  -1.537  -1.414  0.00  0.00    +0.135 A 
ATOM     11  N   LIG    1       -0.169   1.124  -2.247  0.00  0.00    -0.060 NA
BRANCH  10  12
ATOM     12  O   LIG    1        1.697  -2.770  -1.692  0.00  0.00    -0.494 OA
ATOM     13  C   LIG    1        2.562  -3.892  -1.564  0.00  0.00    +0.277 C 
ENDBRANCH  10  12
BRANCH   7  14
ATOM     14  C   LIG    1        5.330   0.222   0.010  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  N   LIG    1        5.244   0.575   1.420  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        5.322   1.868   1.799  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        5.222   1.814   3.129  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        5.096   0.496   3.604  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        5.121  -0.287   2.475  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   3
BRANCH   1  20
ATOM     20  S   LIG    1       -2.379  -0.996  -2.837  0.00  0.00    +0.077 S 
ATOM     21  O   LIG    1       -2.953  -2.325  -2.925  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.606  -0.042  -3.904  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -2.675  -0.918  -0.087  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -2.935  -0.280  -1.308  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -3.641   0.932  -1.356  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -4.100   1.525  -0.176  0.00  0.00    -0.004 A 
ATOM     27  C   LIG    1       -4.850   2.825  -0.231  0.00  0.00    +0.042 C 
ATOM     28  C   LIG    1       -5.565   3.084   1.087  0.00  0.00    +0.046 C 
ATOM     29  C   LIG    1       -4.610   2.786   2.230  0.00  0.00    +0.229 C 
ATOM     30  O   LIG    1       -4.218   1.410   2.256  0.00  0.00    -0.492 OA
ATOM     31  C   LIG    1       -3.821   0.906   1.044  0.00  0.00    +0.127 A 
ATOM     32  C   LIG    1       -3.128  -0.309   1.088  0.00  0.00    +0.093 A 
BRANCH  23  34
ATOM     33  C   LIG    1       -1.864  -2.831   1.088  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -1.964  -2.087  -0.121  0.00  0.00    -0.493 OA
ENDBRANCH  23  34
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 7