REMARK  Name = BDB026857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.863   0.029  -0.293  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.956   1.549  -0.269  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.191   2.292  -1.438  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.266   3.685  -1.392  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.095   4.355  -0.183  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.842   3.634   0.982  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.769   2.240   0.940  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.462  -0.365  -0.845  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.372  -0.316  -1.864  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        0.853  -1.735  -0.486  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        1.437  -1.871   0.932  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        5.333  -0.086   1.357  0.00  0.00    +0.105 A 
ATOM     13  C   LIG    1        4.193   0.714   1.459  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        2.933   0.132   1.319  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        2.804  -1.246   1.090  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        3.961  -2.036   1.000  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        5.225  -1.460   1.137  0.00  0.00    +0.029 A 
BRANCH  12  18
ATOM     18  S   LIG    1        6.928   0.665   1.522  0.00  0.00    +0.056 S 
ATOM     19  O   LIG    1        7.923  -0.378   1.627  0.00  0.00    -0.153 OA
ATOM     20  O   LIG    1        6.830   1.744   2.476  0.00  0.00    -0.153 OA
BRANCH  18  21
ATOM     21  N   LIG    1        7.143   1.337  -0.009  0.00  0.00    -0.204 NA
ATOM     22  H   LIG    1        7.928   0.868  -0.465  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1        6.299   1.306  -0.579  0.00  0.00    +0.144 HD
ENDBRANCH  18  21
ENDBRANCH  12  18
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  24
ATOM     24  C   LIG    1       -2.015  -0.610  -1.122  0.00  0.00    +0.186 C 
ATOM     25  O   LIG    1       -1.804  -1.025  -2.267  0.00  0.00    -0.290 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -3.353  -0.712  -0.521  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1       -4.519  -1.312  -1.110  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -5.567  -1.184  -0.199  0.00  0.00    +0.066 A 
ATOM     29  C   LIG    1       -6.844  -1.665  -0.462  0.00  0.00    +0.136 A 
ATOM     30  N   LIG    1       -7.086  -2.283  -1.639  0.00  0.00    -0.261 NA
ATOM     31  C   LIG    1       -6.079  -2.411  -2.529  0.00  0.00    +0.111 A 
ATOM     32  N   LIG    1       -5.073  -0.529   0.901  0.00  0.00    -0.359 N 
ATOM     33  H   LIG    1       -5.616  -0.288   1.720  0.00  0.00    +0.165 HD
ATOM     34  C   LIG    1       -4.786  -1.953  -2.331  0.00  0.00    +0.030 A 
ATOM     35  C   LIG    1       -3.743  -0.245   0.723  0.00  0.00    +0.095 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 9