REMARK  Name = BDB060996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.708  -1.775   2.339  0.00  0.00    +0.059 S 
ATOM      2  O   LIG    1       -2.754  -1.175   3.139  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1       -1.627  -3.213   2.183  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1       -1.764   2.280  -1.050  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -1.761   0.875  -0.818  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.815   0.379   0.518  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -1.744  -1.034   0.711  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1       -1.672  -1.921  -0.373  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -1.652  -1.431  -1.667  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -1.936   1.332   1.562  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -2.005   2.701   1.316  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -1.692  -0.056  -1.882  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.935   3.168   0.015  0.00  0.00    +0.023 A 
BRANCH   4  14
ATOM     14  N   LIG    1       -1.807   2.848  -2.346  0.00  0.00    -0.357 N 
ATOM     15  H   LIG    1       -2.775   3.002  -2.626  0.00  0.00    +0.142 HD
ATOM     16  H   LIG    1       -1.337   2.280  -3.043  0.00  0.00    +0.142 HD
ENDBRANCH   4  14
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  N   LIG    1       -0.230  -1.265   2.980  0.00  0.00    -0.186 NA
ATOM     18  H   LIG    1       -0.305  -0.443   3.576  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.963  -1.420   2.147  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        1.613  -0.229   1.476  0.00  0.00    +0.039 C 
ATOM     21  C   LIG    1        2.300  -0.926   2.622  0.00  0.00    +0.030 C 
BRANCH  20  22
ATOM     22  C   LIG    1        2.116  -0.329   0.048  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1        1.943   0.760  -0.827  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        2.374   0.719  -2.156  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        2.997  -0.422  -2.648  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.186  -1.516  -1.810  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        2.751  -1.466  -0.481  0.00  0.00    +0.004 A 
ENDBRANCH  20  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5