REMARK  Name = BDB003081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.579  -0.008   0.434  0.00  0.00    -0.174 NA
ATOM      2  C   LIG    1        0.656   0.352   1.210  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        1.609  -0.848   1.358  0.00  0.00    +0.102 C 
ATOM      4  N   LIG    1        2.054  -1.424   0.080  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        1.132  -1.126  -1.026  0.00  0.00    +0.102 C 
ATOM      6  C   LIG    1       -0.338  -1.103  -0.565  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -1.960  -0.226   1.407  0.00  0.00    +0.062 S 
ATOM      8  O   LIG    1       -1.876  -1.535   2.015  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1       -2.159   0.970   2.196  0.00  0.00    -0.153 OA
BRANCH   7  15
ATOM     10  C   LIG    1       -5.150   1.056  -2.683  0.00  0.00    +0.051 C 
ATOM     11  C   LIG    1       -4.660   0.378  -1.450  0.00  0.00    -0.011 A 
ATOM     12  S   LIG    1       -5.622  -0.815  -0.694  0.00  0.00    -0.097 S 
ATOM     13  C   LIG    1       -4.477  -1.061   0.560  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -4.780  -2.039   1.647  0.00  0.00    +0.053 C 
ATOM     15  C   LIG    1       -3.358  -0.269   0.374  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1       -3.477   0.578  -0.772  0.00  0.00    +0.039 A 
ENDBRANCH   7  15
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1        3.471  -1.229  -0.239  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.928   0.195  -0.486  0.00  0.00    -0.033 A 
ATOM     19  C   LIG    1        3.919   0.733  -1.782  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        4.335   2.046  -2.012  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.773   2.835  -0.952  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.801   2.311   0.339  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.385   0.998   0.570  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 4