REMARK  Name = BDB058901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.508  -0.456  -0.991  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -0.257  -0.698  -1.964  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1        1.918  -0.867  -0.764  0.00  0.00    +0.259 C 
ATOM      4  N   LIG    1        0.737  -0.615  -0.086  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1        0.751   0.035   0.703  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1        1.934  -1.177  -1.952  0.00  0.00    -0.269 OA
BRANCH   3   9
ATOM      7  C   LIG    1        5.577  -0.295  -0.007  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1        4.364  -0.454  -0.693  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        3.178  -0.704   0.010  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1        3.210  -0.817   1.405  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        4.416  -0.660   2.091  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.595  -0.396   1.389  0.00  0.00    +0.011 A 
BRANCH   7  14
ATOM     13  C   LIG    1        8.136   0.071  -0.083  0.00  0.00    +0.091 C 
ATOM     14  C   LIG    1        6.813  -0.019  -0.799  0.00  0.00    +0.160 C 
ATOM     15  O   LIG    1        6.739   0.134  -2.016  0.00  0.00    -0.292 OA
ENDBRANCH   7  14
ENDBRANCH   3   9
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  S   LIG    1       -1.153   1.131  -0.979  0.00  0.00    +0.074 S 
ATOM     17  O   LIG    1       -0.751   1.740   0.275  0.00  0.00    -0.152 OA
ATOM     18  O   LIG    1       -0.837   1.732  -2.255  0.00  0.00    -0.152 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -2.890   0.798  -0.914  0.00  0.00    +0.107 A 
ATOM     20  C   LIG    1       -3.491   0.533   0.320  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -4.870   0.287   0.393  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -5.645   0.318  -0.792  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -7.025   0.071  -0.715  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -7.634  -0.202   0.511  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -6.872  -0.231   1.676  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.022   0.598  -2.020  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -5.499   0.013   1.618  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -3.649   0.842  -2.084  0.00  0.00    +0.029 A 
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5