REMARK  Name = BDB006105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.906   1.606  -0.522  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -0.568   0.308  -0.200  0.00  0.00    -0.325 N 
ATOM      3  H   LIG    1        0.395   0.007  -0.291  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -1.431  -0.621   0.310  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1       -2.805  -0.140   0.484  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.765  -0.999   0.987  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -3.351  -2.367   1.329  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1       -2.023  -2.672   1.117  0.00  0.00    -0.241 N 
ATOM      9  H   LIG    1       -1.721  -3.614   1.348  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1       -4.153  -3.178   1.777  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -5.073  -0.545   1.154  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -5.391   0.773   0.810  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -4.405   1.632   0.304  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -3.093   1.186   0.134  0.00  0.00    +0.077 A 
ATOM     15  N   LIG    1       -1.066  -1.830   0.617  0.00  0.00    -0.153 NA
ATOM     16  N   LIG    1       -2.116   2.077  -0.374  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1        0.182   2.531  -1.049  0.00  0.00    +0.180 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.096   2.778   0.064  0.00  0.00    -0.183 NA
ATOM     19  H   LIG    1        0.783   3.366   0.837  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  S   LIG    1        2.744   2.761  -0.197  0.00  0.00    +0.059 S 
ATOM     21  O   LIG    1        2.992   3.297  -1.515  0.00  0.00    -0.153 OA
ATOM     22  O   LIG    1        3.360   3.306   0.991  0.00  0.00    -0.153 OA
BRANCH  20  27
ATOM     23  C   LIG    1        3.586  -3.244  -0.252  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        3.380  -1.757  -0.243  0.00  0.00    -0.050 A 
ATOM     25  C   LIG    1        3.511  -1.017  -1.427  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        3.344   0.368  -1.418  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1        3.050   1.014  -0.215  0.00  0.00    +0.105 A 
ATOM     28  C   LIG    1        2.950   0.295   0.979  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1        3.116  -1.090   0.961  0.00  0.00    +0.005 A 
ENDBRANCH  20  27
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4