REMARK  Name = BDB057641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.922   0.807  -1.348  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        0.166   0.645  -0.477  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.410   0.217  -0.962  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        1.522  -0.044  -2.337  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1        2.732  -0.507  -2.854  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        2.830  -0.695  -3.842  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        3.838  -0.749  -2.096  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1        3.740  -0.482  -0.626  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        5.010  -0.824   0.107  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1        4.803  -0.974   1.904  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1        3.798   0.505   2.143  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        2.483   0.389   1.374  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1        4.874  -1.159  -2.611  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.448   0.145  -3.213  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        2.600   0.018  -0.092  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -0.777   0.582  -2.717  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1       -2.708   2.287  -1.345  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -2.230   1.276  -0.839  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1       -2.846   0.561   0.181  0.00  0.00    -0.295 N 
ATOM     20  C   LIG    1       -2.481  -0.801   0.593  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1       -3.694  -1.606   1.095  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1       -4.458  -0.969   2.178  0.00  0.00    -0.313 NA
ATOM     23  H   LIG    1       -4.103  -1.273   3.084  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -4.405   0.502   2.116  0.00  0.00    +0.100 C 
ATOM     25  C   LIG    1       -4.105   1.077   0.722  0.00  0.00    +0.123 C 
ENDBRANCH   1  18
TORSDOF 1