REMARK  Name = BDB020186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.757  -0.707   0.492  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        0.882  -1.730   0.859  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -0.504  -1.543   0.792  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -1.060  -0.341   0.329  0.00  0.00    -0.032 A 
ATOM      5  C   LIG    1       -0.165   0.666  -0.064  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        1.224   0.480  -0.003  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.561  -0.156   0.275  0.00  0.00    +0.084 C 
ATOM      8  C   LIG    1       -3.262   0.474   1.448  0.00  0.00    +0.230 C 
ATOM      9  O   LIG    1       -3.163   0.086   2.599  0.00  0.00    -0.274 OA
ATOM     10  N   LIG    1       -4.066   1.470   0.983  0.00  0.00    -0.255 N 
ATOM     11  H   LIG    1       -4.707   1.964   1.581  0.00  0.00    +0.158 HD
ATOM     12  C   LIG    1       -4.186   1.475  -0.371  0.00  0.00    +0.224 C 
ATOM     13  O   LIG    1       -4.963   2.127  -1.044  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -3.226   0.497  -0.942  0.00  0.00    +0.096 C 
ATOM     15  C   LIG    1       -3.371  -0.982  -0.710  0.00  0.00    +0.035 C 
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  N   LIG    1        3.154  -1.005   0.495  0.00  0.00    -0.221 N 
ATOM     17  H   LIG    1        3.427  -1.885   0.935  0.00  0.00    +0.173 HD
BRANCH  16  19
ATOM     18  C   LIG    1        4.832   0.552  -0.891  0.00  0.00    +0.218 C 
ATOM     19  S   LIG    1        4.331   0.162   0.772  0.00  0.00    +0.040 S 
ATOM     20  O   LIG    1        3.758   1.339   1.383  0.00  0.00    -0.155 OA
ATOM     21  O   LIG    1        5.432  -0.547   1.392  0.00  0.00    -0.155 OA
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 3