REMARK  Name = BDB002660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.650   1.926  -0.690  0.00  0.00    +0.109 A 
ATOM      2  C   LIG    1       -0.297   1.811  -0.369  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1        0.519   0.950  -1.108  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -0.010   0.209  -2.170  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.354   0.382  -2.521  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.179   1.232  -1.780  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -2.691   3.008   0.256  0.00  0.00    +0.074 S 
ATOM      8  O   LIG    1       -1.889   4.077   0.806  0.00  0.00    -0.150 OA
ATOM      9  O   LIG    1       -3.861   3.299  -0.548  0.00  0.00    -0.150 OA
BRANCH   7  12
ATOM     10  C   LIG    1       -3.231   0.665   3.494  0.00  0.00    +0.111 C 
ATOM     11  C   LIG    1       -2.459   1.502   2.514  0.00  0.00    +0.229 C 
ATOM     12  N   LIG    1       -3.240   2.027   1.478  0.00  0.00    -0.186 N 
ATOM     13  H   LIG    1       -4.234   1.832   1.415  0.00  0.00    +0.177 HD
ATOM     14  O   LIG    1       -1.255   1.688   2.616  0.00  0.00    -0.275 OA
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  15
ATOM     15  N   LIG    1        0.760  -0.668  -2.961  0.00  0.00    -0.297 N 
ATOM     16  H   LIG    1        0.409  -0.826  -3.900  0.00  0.00    +0.154 HD
BRANCH  15  17
ATOM     17  C   LIG    1        1.994  -1.179  -2.739  0.00  0.00    +0.141 C 
ATOM     18  S   LIG    1        2.988  -1.514  -4.042  0.00  0.00    -0.018 S 
BRANCH  17  19
ATOM     19  N   LIG    1        2.453  -1.454  -1.488  0.00  0.00    -0.261 N 
ATOM     20  H   LIG    1        3.432  -1.700  -1.475  0.00  0.00    +0.157 HD
ATOM     21  C   LIG    1        1.718  -1.957  -0.411  0.00  0.00    +0.285 C 
ATOM     22  O   LIG    1        0.527  -2.246  -0.478  0.00  0.00    -0.266 OA
BRANCH  21  23
ATOM     23  C   LIG    1        2.517  -2.167   0.787  0.00  0.00    +0.189 A 
ATOM     24  O   LIG    1        1.954  -2.870   1.820  0.00  0.00    -0.458 OA
ATOM     25  C   LIG    1        2.867  -2.936   2.820  0.00  0.00    +0.196 A 
ATOM     26  C   LIG    1        4.021  -2.285   2.460  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1        3.799  -1.786   1.152  0.00  0.00    +0.054 A 
ENDBRANCH  21  23
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   4  15
TORSDOF 6