REMARK  Name = BDB030307
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.067  -0.698  -0.630  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.071  -1.648  -0.400  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        3.198  -1.298   0.342  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        4.196  -2.269   0.570  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        4.091  -3.201   0.193  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        5.358  -2.051   1.287  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        5.529  -0.709   1.832  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        4.566   0.262   1.624  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        4.979   1.744   2.353  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        6.449   1.109   2.956  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        6.622  -0.212   2.607  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        6.184  -2.945   1.445  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        3.344   0.007   0.859  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.346   0.954   0.612  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        1.213   0.605  -0.134  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1       -1.278  -0.397  -1.215  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1       -1.367   0.134  -0.359  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -0.120  -1.109  -1.430  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -0.039  -2.056  -2.204  0.00  0.00    -0.270 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -2.524  -0.830  -1.805  0.00  0.00    +0.143 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -4.210   0.565  -0.506  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1       -3.568   0.256  -1.720  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -3.889   0.990  -2.875  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -4.844   2.003  -2.830  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.483   2.298  -1.630  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.166   1.585  -0.471  0.00  0.00    +0.046 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -4.561  -0.008   1.783  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -3.814  -0.170   0.583  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  20  22
ENDBRANCH  16  20
ENDBRANCH   1  18
TORSDOF 4