REMARK  Name = BDB057161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.867  -0.294  -1.898  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -4.573  -0.144  -1.149  0.00  0.00    -0.048 A 
ATOM      3  C   LIG    1       -3.353  -0.236  -1.837  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -2.180  -0.048  -1.099  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -2.163   0.236   0.266  0.00  0.00    +0.102 A 
ATOM      6  N   LIG    1       -0.862   0.336   0.711  0.00  0.00    -0.226 NA
ATOM      7  C   LIG    1       -0.096   0.156  -0.344  0.00  0.00    +0.146 A 
ATOM      8  C   LIG    1       -3.391   0.341   0.942  0.00  0.00    +0.064 A 
ATOM      9  N   LIG    1       -0.857  -0.078  -1.460  0.00  0.00    -0.337 N 
ATOM     10  H   LIG    1       -0.490  -0.246  -2.384  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1       -4.588   0.154   0.221  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        1.338   0.198  -0.329  0.00  0.00    +0.055 A 
ATOM     13  S   LIG    1        2.288  -0.088  -1.730  0.00  0.00    -0.089 S 
ATOM     14  C   LIG    1        3.737   0.147  -0.874  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        5.089   0.020  -1.510  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        6.128   0.670  -0.683  0.00  0.00    -0.311 NA
ATOM     17  H   LIG    1        5.967   1.677  -0.728  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1        6.008   0.249   0.730  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        4.676   0.686   1.383  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1        3.523   0.431   0.460  0.00  0.00    -0.034 A 
ATOM     21  C   LIG    1        2.134   0.463   0.771  0.00  0.00    +0.023 A 
ENDBRANCH   7  12
BRANCH   8  22
ATOM     22  C   LIG    1       -3.430   0.664   2.381  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1       -2.740   1.534   2.891  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1       -4.310  -0.069   3.134  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -4.673  -0.951   2.799  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -4.227   0.054   4.135  0.00  0.00    +0.145 HD
ENDBRANCH   8  22
TORSDOF 2