REMARK  Name = BDB028484
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.222   1.671   0.650  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        1.143   0.494   0.310  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1        2.230  -0.361   0.254  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1        3.541   0.129   0.680  0.00  0.00    +0.117 C 
ATOM      5  C   LIG    1        4.575   0.024  -0.458  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1        4.511  -1.339  -1.189  0.00  0.00    +0.011 C 
ATOM      7  C   LIG    1        3.568  -2.327  -0.504  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1        2.185  -1.710  -0.309  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -0.049  -0.068  -0.067  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.161  -1.045   0.162  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.970   0.346   0.053  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1        6.657  -0.521   0.917  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        7.932  -0.199   1.385  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        8.537   0.995   0.998  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.866   1.868   0.145  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.590   1.547  -0.323  0.00  0.00    +0.004 A 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1       -1.273   0.711   0.008  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.474  -0.103  -0.495  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.572  -1.289   0.319  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -2.773  -1.002   1.227  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -3.772   0.737  -0.416  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.885   0.247  -1.258  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -6.039   1.178  -1.218  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -6.856   0.992   0.032  0.00  0.00    -0.023 A 
ATOM     25  C   LIG    1       -6.830  -0.180   0.764  0.00  0.00    -0.005 A 
ATOM     26  S   LIG    1       -7.855  -0.148   2.116  0.00  0.00    -0.101 S 
ATOM     27  C   LIG    1       -8.367   1.444   1.747  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -5.956  -1.347   0.431  0.00  0.00    +0.058 C 
ATOM     29  C   LIG    1       -7.759   1.936   0.611  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1       -5.327  -1.136  -0.965  0.00  0.00    +0.090 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6