REMARK  Name = BDB003363
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.966   0.708  -1.044  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1        0.691   2.000  -1.754  0.00  0.00    +0.208 C 
ATOM      3  O   LIG    1        1.359   2.329  -2.731  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1       -0.334   2.892  -1.182  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.237   2.416  -0.226  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -2.052   3.341   0.435  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -2.038   4.693   0.073  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.189   5.142  -0.935  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.243   0.959   0.075  0.00  0.00    +0.095 C 
ATOM     10  N   LIG    1       -2.199   0.190   0.498  0.00  0.00    -0.128 NA
ATOM     11  C   LIG    1       -0.325   4.245  -1.555  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        0.040   0.254  -0.190  0.00  0.00    +0.057 C 
ENDROOT
BRANCH  10  13
ATOM     13  S   LIG    1       -3.742   0.612   0.658  0.00  0.00    +0.106 S 
ATOM     14  O   LIG    1       -3.986   1.122   1.992  0.00  0.00    -0.146 OA
ATOM     15  O   LIG    1       -4.239   1.278  -0.526  0.00  0.00    -0.146 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -4.482  -1.010   0.656  0.00  0.00    +0.150 A 
ATOM     17  S   LIG    1       -4.362  -1.909  -0.798  0.00  0.00    -0.076 S 
ATOM     18  C   LIG    1       -5.212  -3.233  -0.125  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -5.583  -3.001   1.181  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -5.162  -1.716   1.632  0.00  0.00    +0.037 A 
ENDBRANCH  13  16
ENDBRANCH  10  13
BRANCH   1  21
ATOM     21  N   LIG    1        2.125   0.070  -1.446  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1        2.559   0.531  -2.250  0.00  0.00    +0.152 HD
BRANCH  21  27
ATOM     23  C   LIG    1        5.728  -3.483   1.259  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        4.767  -2.564   0.566  0.00  0.00    -0.050 A 
ATOM     25  C   LIG    1        3.838  -1.822   1.299  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        2.960  -0.940   0.655  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        3.004  -0.761  -0.731  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1        3.945  -1.507  -1.456  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        4.823  -2.390  -0.819  0.00  0.00    +0.005 A 
ENDBRANCH  21  27
ENDBRANCH   1  21
TORSDOF 4