REMARK  Name = BDB063075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.184  -2.383  -0.188  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -1.490  -1.185  -0.130  0.00  0.00    +0.192 A 
ATOM      3  O   LIG    1       -1.983  -0.148   0.621  0.00  0.00    -0.434 OA
ATOM      4  C   LIG    1       -1.397   1.090   0.457  0.00  0.00    +0.212 A 
ATOM      5  C   LIG    1       -0.250   1.287  -0.203  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1        0.528   0.156  -0.810  0.00  0.00    +0.119 C 
ATOM      7  C   LIG    1        0.234   2.671  -0.360  0.00  0.00    +0.262 A 
ATOM      8  O   LIG    1        1.192   2.946  -1.073  0.00  0.00    -0.267 OA
ATOM      9  N   LIG    1       -0.469   3.630   0.316  0.00  0.00    -0.275 N 
ATOM     10  H   LIG    1       -0.163   4.587   0.217  0.00  0.00    +0.173 HD
ATOM     11  C   LIG    1       -1.648   3.423   0.973  0.00  0.00    +0.329 A 
ATOM     12  O   LIG    1       -2.289   4.340   1.474  0.00  0.00    -0.247 OA
ATOM     13  N   LIG    1       -2.074   2.128   1.021  0.00  0.00    -0.278 N 
ATOM     14  H   LIG    1       -2.946   1.950   1.503  0.00  0.00    +0.173 HD
ATOM     15  C   LIG    1       -0.319  -1.113  -0.868  0.00  0.00    +0.101 A 
ATOM     16  N   LIG    1        0.114  -2.138  -1.641  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1       -0.645  -3.243  -1.631  0.00  0.00    +0.223 A 
ATOM     18  N   LIG    1       -1.779  -3.419  -0.936  0.00  0.00    -0.217 NA
ENDROOT
BRANCH   6  19
ATOM     19  C   LIG    1        1.868  -0.103  -0.134  0.00  0.00    +0.003 A 
ATOM     20  S   LIG    1        1.962  -0.561   1.522  0.00  0.00    -0.101 S 
ATOM     21  C   LIG    1        3.668  -0.633   1.475  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1        4.165  -0.310   0.233  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        3.129  -0.003  -0.694  0.00  0.00    +0.012 A 
ENDBRANCH   6  19
BRANCH   1  24
ATOM     24  N   LIG    1       -3.392  -2.561   0.493  0.00  0.00    -0.340 N 
ATOM     25  H   LIG    1       -3.311  -2.311   1.472  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -3.684  -3.526   0.359  0.00  0.00    +0.144 HD
ENDBRANCH   1  24
TORSDOF 2