REMARK  Name = BDB060986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.993   1.341  -1.872  0.00  0.00    +0.059 S 
ATOM      2  O   LIG    1       -1.196   2.680  -1.364  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1       -1.302   0.980  -3.237  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -1.835   0.171  -0.822  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -3.161   0.417  -0.357  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -3.747  -0.527   0.537  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -5.053  -0.291   1.054  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -5.803   0.797   0.597  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -5.254   1.709  -0.288  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.003  -1.681   0.880  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -1.724  -1.918   0.382  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.953   1.525  -0.751  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.138  -0.993  -0.466  0.00  0.00    +0.029 A 
BRANCH   7  14
ATOM     14  N   LIG    1       -5.743  -1.228   1.861  0.00  0.00    -0.357 N 
ATOM     15  H   LIG    1       -5.127  -1.770   2.456  0.00  0.00    +0.142 HD
ATOM     16  H   LIG    1       -6.298  -1.850   1.276  0.00  0.00    +0.142 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  N   LIG    1        0.636   0.998  -1.662  0.00  0.00    -0.186 NA
ATOM     18  H   LIG    1        1.138   0.901  -2.543  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.328   1.655  -0.556  0.00  0.00    +0.141 C 
BRANCH  19  23
ATOM     20  C   LIG    1        5.086  -0.348   0.203  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        5.018   0.714  -0.702  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        3.808   1.369  -0.946  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        2.644   0.973  -0.276  0.00  0.00    -0.032 A 
ATOM     24  C   LIG    1        2.714  -0.100   0.623  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        3.928  -0.753   0.864  0.00  0.00    +0.046 A 
BRANCH  20  27
ATOM     26  C   LIG    1        6.457  -1.972   1.268  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        6.330  -0.898   0.345  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6