REMARK  Name = BDB009221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.706   1.103  -0.195  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.411   0.677  -0.926  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.353   1.606  -1.396  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.137   2.970  -1.143  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.032   3.394  -0.403  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.887   2.463   0.079  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.996   0.449   0.216  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        3.199   1.317  -0.263  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.666   0.079   0.301  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        1.219  -0.987   0.705  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        6.553  -0.410   0.770  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.384   0.256   0.380  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        4.119  -0.289   0.647  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        4.038  -1.505   1.325  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        5.200  -2.167   1.731  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        6.454  -1.620   1.459  0.00  0.00    +0.015 A 
BRANCH  11  18
ATOM     17  C   LIG    1        8.950  -1.031  -0.449  0.00  0.00    +0.090 C 
ATOM     18  S   LIG    1        8.132   0.341   0.409  0.00  0.00    -0.129 S 
ENDBRANCH  11  18
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -2.551   1.178  -2.215  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.207  -0.119  -1.751  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -4.135  -0.099  -0.577  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -4.407   1.174   0.173  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -5.123   0.954   1.509  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -6.240  -0.074   1.375  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.693  -1.416   0.885  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.705  -1.270  -0.240  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -4.378  -2.504  -0.997  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -4.871  -3.589  -0.709  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -3.499  -2.353  -2.034  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -3.256  -3.186  -2.561  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -2.917  -1.190  -2.429  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5