REMARK  Name = BDB027171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.651   0.139   1.963  0.00  0.00    +0.105 A 
ATOM      2  C   LIG    1       -0.250   1.425   1.590  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        0.911   1.597   0.828  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        1.670   0.488   0.447  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.262  -0.793   0.837  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        0.107  -0.975   1.599  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -2.115  -0.065   2.940  0.00  0.00    +0.059 S 
ATOM      8  O   LIG    1       -2.208   1.061   3.842  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1       -2.189  -1.430   3.408  0.00  0.00    -0.153 OA
BRANCH   7  10
ATOM     10  N   LIG    1       -3.326   0.153   1.798  0.00  0.00    -0.185 NA
ATOM     11  H   LIG    1       -4.034   0.822   2.103  0.00  0.00    +0.148 HD
BRANCH  10  14
ATOM     12  N   LIG    1       -5.617  -2.457   0.648  0.00  0.00    -0.268 N 
ATOM     13  C   LIG    1       -4.666  -1.968   1.693  0.00  0.00    +0.136 C 
ATOM     14  C   LIG    1       -3.731  -0.988   0.966  0.00  0.00    +0.096 C 
ATOM     15  C   LIG    1       -4.581  -0.500  -0.198  0.00  0.00    +0.041 C 
ATOM     16  C   LIG    1       -5.317  -1.758  -0.625  0.00  0.00    +0.118 C 
BRANCH  12  18
ATOM     17  N   LIG    1       -6.876  -4.606   0.795  0.00  0.00    -0.174 NA
ATOM     18  C   LIG    1       -6.295  -3.608   0.733  0.00  0.00    +0.169 C 
ENDBRANCH  12  18
ENDBRANCH  10  14
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  O   LIG    1        2.817   0.514  -0.295  0.00  0.00    -0.487 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.321   1.792  -0.674  0.00  0.00    +0.264 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.606   1.584  -1.437  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1        4.628   1.648  -2.837  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        5.820   1.446  -3.536  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.998   1.171  -2.844  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.986   1.093  -1.452  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.796   1.295  -0.752  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 7