REMARK  Name = BDB035943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.677   1.133  -0.266  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.638   0.626  -0.172  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.923   0.169  -1.446  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.138  -0.416  -1.825  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1        3.131  -0.543  -0.833  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.859  -0.102   0.461  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        3.730  -0.071   1.663  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        2.673   0.206   2.733  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1        1.537   0.858   2.118  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1       -0.156   0.386  -2.244  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        1.633   0.471   0.789  0.00  0.00    +0.139 A 
ATOM     12  N   LIG    1       -1.163   0.987  -1.503  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        4.427  -1.114  -1.176  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1        5.627  -0.490  -1.484  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        5.880   0.973  -1.555  0.00  0.00    +0.067 C 
ATOM     16  N   LIG    1        6.680  -1.354  -1.748  0.00  0.00    -0.252 NA
ATOM     17  C   LIG    1        6.268  -2.598  -1.650  0.00  0.00    +0.156 A 
ATOM     18  S   LIG    1        4.622  -2.818  -1.233  0.00  0.00    -0.075 S 
ENDBRANCH   5  13
BRANCH   1  19
ATOM     19  N   LIG    1       -1.365   1.691   0.801  0.00  0.00    -0.196 N 
ATOM     20  H   LIG    1       -0.960   1.611   1.731  0.00  0.00    +0.175 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.007   2.002   0.802  0.00  0.00    +0.081 S 
ATOM     22  O   LIG    1       -3.250   2.998  -0.220  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1       -3.359   2.276   2.184  0.00  0.00    -0.150 OA
BRANCH  21  25
ATOM     24  C   LIG    1       -3.367  -0.705   1.067  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -3.759   0.455   0.382  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -4.743   0.364  -0.607  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -5.312  -0.877  -0.919  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -4.880  -2.034  -0.272  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -3.905  -1.949   0.718  0.00  0.00    +0.048 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -2.991  -0.877   3.337  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -2.409  -0.659   2.048  0.00  0.00    -0.493 OA
ENDBRANCH  24  31
BRANCH  26  32
ATOM     32  O   LIG    1       -5.268   1.474  -1.209  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -4.828   1.584  -2.564  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6