REMARK  Name = BDB035949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.696  -1.692   0.358  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.525  -0.987   0.303  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.003  -1.223  -0.972  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.207  -0.713  -1.472  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1        2.983   0.101  -0.617  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1        2.502   0.360   0.670  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        3.133   1.120   1.781  0.00  0.00    +0.083 C 
ATOM      8  C   LIG    1        1.951   1.207   2.760  0.00  0.00    +0.175 C 
ATOM      9  C   LIG    1        1.246   2.561   2.719  0.00  0.00    +0.052 C 
ATOM     10  O   LIG    1        0.984   0.178   2.428  0.00  0.00    -0.488 OA
ATOM     11  O   LIG    1        0.118  -2.014  -1.634  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1        1.300  -0.175   1.126  0.00  0.00    +0.139 A 
ATOM     13  N   LIG    1       -0.954  -2.305  -0.802  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   5  14
ATOM     14  C   LIG    1        4.260   0.646  -1.086  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1        4.381   2.001  -1.430  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        5.598   2.519  -1.877  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        6.711   1.688  -1.987  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.607   0.339  -1.652  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.389  -0.178  -1.205  0.00  0.00    +0.008 A 
ENDBRANCH   5  14
BRANCH   1  20
ATOM     20  N   LIG    1       -1.519  -1.717   1.476  0.00  0.00    -0.196 N 
ATOM     21  H   LIG    1       -1.290  -1.094   2.248  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -3.126  -2.176   1.443  0.00  0.00    +0.081 S 
ATOM     23  O   LIG    1       -3.693  -1.732   2.704  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -3.160  -3.579   1.085  0.00  0.00    -0.150 OA
BRANCH  22  26
ATOM     25  C   LIG    1       -4.666  -1.727  -0.817  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -3.855  -1.174   0.178  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -3.623   0.210   0.182  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -4.143   1.018  -0.835  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -4.946   0.461  -1.826  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -5.222  -0.905  -1.806  0.00  0.00    +0.048 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -4.376  -3.785  -1.818  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -5.044  -3.041  -0.797  0.00  0.00    -0.493 OA
ENDBRANCH  25  32
BRANCH  27  33
ATOM     33  O   LIG    1       -2.834   0.793   1.142  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -3.621   1.584   2.038  0.00  0.00    +0.277 C 
ENDBRANCH  27  33
ENDBRANCH  22  26
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 6