REMARK  Name = BDB056407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.196  -1.269  -0.376  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -0.360  -1.290   0.913  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.711  -1.590   1.103  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -2.515  -1.872  -0.004  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1       -1.972  -1.885  -1.292  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1       -0.619  -1.583  -1.471  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   4   7
ATOM      7  S   LIG    1       -4.226  -2.287   0.223  0.00  0.00    +0.073 S 
ATOM      8  O   LIG    1       -4.515  -2.415   1.635  0.00  0.00    -0.150 OA
ATOM      9  O   LIG    1       -4.503  -3.393  -0.676  0.00  0.00    -0.150 OA
BRANCH   7  10
ATOM     10  N   LIG    1       -5.061  -0.987  -0.412  0.00  0.00    -0.199 N 
ATOM     11  H   LIG    1       -5.829  -1.268  -1.011  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -5.167   0.197   0.337  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1       -4.054   0.617   0.958  0.00  0.00    -0.239 NA
ATOM     14  C   LIG    1       -4.123   1.799   1.609  0.00  0.00    +0.113 A 
ATOM     15  C   LIG    1       -5.255   2.595   1.639  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -6.383   2.156   0.957  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -6.338   0.939   0.281  0.00  0.00    +0.045 A 
ENDBRANCH  10  12
ENDBRANCH   7  10
ENDBRANCH   4   7
BRANCH   1  19
ATOM     18  N   LIG    1        1.890   0.092  -0.080  0.00  0.00    -0.147 NA
ATOM     19  N   LIG    1        1.558  -0.995  -0.602  0.00  0.00    -0.149 NA
BRANCH  18  25
ATOM     20  C   LIG    1        6.660  -1.049   0.622  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1        5.620  -0.154   0.014  0.00  0.00    -0.007 A 
ATOM     22  C   LIG    1        5.948   0.974  -0.743  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        4.957   1.790  -1.292  0.00  0.00    +0.070 A 
ATOM     24  C   LIG    1        3.604   1.478  -1.130  0.00  0.00    +0.056 A 
ATOM     25  C   LIG    1        3.251   0.369  -0.334  0.00  0.00    +0.107 A 
ATOM     26  C   LIG    1        4.261  -0.436   0.222  0.00  0.00    +0.038 A 
BRANCH  24  27
ATOM     27  N   LIG    1        2.624   2.386  -1.586  0.00  0.00    -0.356 N 
ATOM     28  H   LIG    1        1.707   1.947  -1.648  0.00  0.00    +0.142 HD
ATOM     29  H   LIG    1        2.889   2.877  -2.433  0.00  0.00    +0.142 HD
ENDBRANCH  24  27
BRANCH  22  30
ATOM     30  O   LIG    1        7.238   1.356  -0.982  0.00  0.00    -0.506 OA
ATOM     31  H   LIG    1        7.845   0.755  -0.523  0.00  0.00    +0.292 HD
ENDBRANCH  22  30
ENDBRANCH  18  25
ENDBRANCH   1  19
TORSDOF 7