REMARK  Name = BDB015604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.254   2.541  -0.222  0.00  0.00    +0.241 A 
ATOM      2  N   LIG    1       -1.045   1.485  -0.141  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -0.393   0.337   0.021  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1        0.927   0.235   0.155  0.00  0.00    -0.175 NA
ATOM      5  C   LIG    1        1.595   1.386   0.116  0.00  0.00    +0.328 A 
ATOM      6  N   LIG    1        1.052   2.584  -0.046  0.00  0.00    -0.160 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.199  -0.914   0.075  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -0.587  -2.092   0.310  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -1.279  -3.292   0.378  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -0.522  -4.507   0.640  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.659  -3.374   0.210  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -3.304  -4.417   0.274  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.358  -2.077  -0.064  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.838  -2.139  -0.264  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.642  -0.942  -0.120  0.00  0.00    +0.021 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  N   LIG    1       -0.847   3.805  -0.268  0.00  0.00    -0.188 N 
ATOM     17  H   LIG    1       -0.142   4.539  -0.282  0.00  0.00    +0.176 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -1.978   4.040  -1.466  0.00  0.00    +0.045 S 
ATOM     19  O   LIG    1       -1.698   3.164  -2.582  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -2.033   5.475  -1.664  0.00  0.00    -0.155 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -3.782   4.248   0.619  0.00  0.00    +0.030 C 
ATOM     22  C   LIG    1       -3.518   3.545  -0.697  0.00  0.00    +0.185 C 
ENDBRANCH  18  22
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   5  23
ATOM     23  O   LIG    1        2.978   1.391   0.270  0.00  0.00    -0.423 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.576   0.157   0.414  0.00  0.00    +0.138 A 
ATOM     25  C   LIG    1        4.016  -0.535  -0.729  0.00  0.00    -0.008 A 
ATOM     26  C   LIG    1        3.813   0.019  -2.110  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1        4.614  -1.790  -0.564  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        4.802  -2.324   0.712  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        4.398  -1.609   1.839  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        3.796  -0.352   1.706  0.00  0.00    -0.008 A 
ATOM     31  C   LIG    1        3.357   0.399   2.930  0.00  0.00    +0.047 C 
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 6