REMARK  Name = BDB009222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.281   2.186   0.999  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.394   1.009   1.355  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.628   1.069   2.025  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.162   2.323   2.352  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.501   3.496   1.983  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.287   3.428   1.301  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.424   1.116   0.620  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1        2.133   0.527   1.389  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.583   2.159   0.273  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        1.814   3.054  -0.531  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        6.225   0.080  -0.916  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        5.538   1.165  -1.462  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        4.276   1.528  -0.975  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        3.690   0.820   0.074  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        4.388  -0.261   0.628  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        5.647  -0.626   0.140  0.00  0.00    +0.016 A 
BRANCH  11  18
ATOM     17  C   LIG    1        7.472  -2.015  -2.174  0.00  0.00    +0.090 C 
ATOM     18  S   LIG    1        7.832  -0.352  -1.552  0.00  0.00    -0.129 S 
ENDBRANCH  11  18
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -2.357  -0.193   2.430  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.457  -1.229   1.314  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.412  -1.011   0.182  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -4.308   0.196   0.145  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -5.432   0.085  -0.890  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.912  -0.473  -2.208  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.291  -1.857  -2.011  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.422  -1.943  -0.786  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -2.539  -3.132  -0.685  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -2.542  -4.015  -1.536  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -1.728  -3.183   0.416  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -1.120  -3.991   0.503  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -1.667  -2.257   1.409  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5