REMARK  Name = BDB061002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.670  -0.623   0.302  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -1.968   0.629   0.391  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -1.058   1.003  -0.646  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -0.355   2.241  -0.528  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -0.554   3.099   0.561  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -1.439   2.745   1.561  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -0.903   0.115  -1.735  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.585  -1.094  -1.810  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.125   1.533   1.478  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -2.458  -1.460  -0.797  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -5.194  -2.170   2.668  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.288  -2.182   1.461  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -3.587  -0.995   1.325  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -3.744  -0.322   2.057  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -4.211  -3.179   0.753  0.00  0.00    -0.276 OA
ENDBRANCH   1  13
BRANCH   4  16
ATOM     16  S   LIG    1        0.852   2.774  -1.733  0.00  0.00    +0.059 S 
ATOM     17  O   LIG    1        1.519   3.960  -1.237  0.00  0.00    -0.153 OA
ATOM     18  O   LIG    1        0.224   2.759  -3.034  0.00  0.00    -0.153 OA
BRANCH  16  19
ATOM     19  N   LIG    1        1.976   1.541  -1.710  0.00  0.00    -0.186 NA
ATOM     20  H   LIG    1        2.260   1.200  -2.626  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.943   1.492  -0.622  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.522   0.105  -0.489  0.00  0.00    -0.032 A 
ATOM     23  C   LIG    1        2.711  -0.960  -0.067  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        3.235  -2.248   0.047  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.573  -2.486  -0.260  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.388  -1.437  -0.682  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.866  -0.147  -0.798  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   4  16
TORSDOF 5