REMARK  Name = BDB058918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.612   0.244  -0.863  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -0.499   0.896  -1.657  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1        1.753   1.107  -1.958  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        1.853   0.438  -0.932  0.00  0.00    +0.259 C 
ATOM      5  N   LIG    1        0.770  -0.219  -0.377  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1        0.787  -0.584   0.573  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1        3.160   0.286  -0.241  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        4.325   0.365  -1.015  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        5.578   0.228  -0.415  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.673   0.024   0.961  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        4.517  -0.036   1.740  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.260   0.099   1.144  0.00  0.00    +0.013 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  13
ATOM     13  S   LIG    1       -1.529   1.026   0.354  0.00  0.00    +0.074 S 
ATOM     14  O   LIG    1       -1.048   0.535   1.631  0.00  0.00    -0.152 OA
ATOM     15  O   LIG    1       -1.545   2.437   0.036  0.00  0.00    -0.152 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -3.139   0.351   0.061  0.00  0.00    +0.107 A 
ATOM     17  C   LIG    1       -3.461  -0.907   0.581  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1       -4.736  -1.431   0.368  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.682  -0.699  -0.351  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.359   0.562  -0.858  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -4.087   1.094  -0.650  0.00  0.00    +0.028 A 
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 4