REMARK  Name = BDB034889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.890   1.384  -2.713  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1        1.635   1.393  -1.903  0.00  0.00    +0.025 A 
ATOM      3  N   LIG    1        1.234   0.300  -1.114  0.00  0.00    -0.321 N 
ATOM      4  C   LIG    1        0.038   0.499  -0.426  0.00  0.00    +0.166 A 
ATOM      5  N   LIG    1       -0.552  -0.357   0.345  0.00  0.00    -0.152 NA
ATOM      6  S   LIG    1       -0.577   2.132  -0.829  0.00  0.00    -0.060 S 
ATOM      7  C   LIG    1        0.787   2.436  -1.865  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -1.696   0.041   0.988  0.00  0.00    +0.270 C 
ATOM      9  O   LIG    1       -1.684   0.750   1.986  0.00  0.00    -0.268 OA
BRANCH   8  10
ATOM     10  C   LIG    1       -2.976  -0.488   0.440  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -4.218  -0.000   0.895  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -5.356  -0.555   0.317  0.00  0.00    +0.139 A 
ATOM     13  N   LIG    1       -6.455   0.039   0.875  0.00  0.00    -0.346 N 
ATOM     14  H   LIG    1       -7.404  -0.193   0.623  0.00  0.00    +0.167 HD
ATOM     15  C   LIG    1       -6.061   0.969   1.800  0.00  0.00    +0.085 A 
ATOM     16  N   LIG    1       -5.417  -1.509  -0.630  0.00  0.00    -0.237 NA
ATOM     17  C   LIG    1       -4.202  -1.942  -1.026  0.00  0.00    +0.114 A 
ATOM     18  C   LIG    1       -4.682   0.968   1.834  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1       -2.986  -1.485  -0.545  0.00  0.00    +0.033 A 
ENDBRANCH   8  10
ENDBRANCH   5   8
BRANCH   3  20
ATOM     20  C   LIG    1        2.000  -0.929  -0.928  0.00  0.00    +0.159 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.157  -0.751   0.033  0.00  0.00    -0.028 A 
ATOM     22  C   LIG    1        4.471  -1.023  -0.378  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        5.539  -0.876   0.510  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.306  -0.464   1.820  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.006  -0.202   2.245  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        2.937  -0.348   1.360  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4