REMARK  Name = BDB060995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.736  -1.888   0.885  0.00  0.00    +0.059 S 
ATOM      2  O   LIG    1        0.688  -3.142   0.167  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1        1.056  -1.821   2.294  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        1.817  -0.804  -0.029  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        3.219  -0.767   0.234  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        4.018   0.157  -0.503  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        5.427   0.208  -0.287  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1        6.006  -0.568   0.723  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        5.245  -1.481   1.433  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        3.379   0.998  -1.443  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        2.012   0.924  -1.701  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        3.880  -1.592   1.178  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        1.233   0.017  -1.003  0.00  0.00    +0.029 A 
BRANCH   7  14
ATOM     14  N   LIG    1        6.254   1.158  -0.930  0.00  0.00    -0.357 N 
ATOM     15  H   LIG    1        5.970   1.357  -1.882  0.00  0.00    +0.142 HD
ATOM     16  H   LIG    1        7.241   0.920  -0.888  0.00  0.00    +0.142 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  N   LIG    1       -0.808  -1.212   0.717  0.00  0.00    -0.190 NA
ATOM     18  H   LIG    1       -1.484  -1.943   0.494  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.200  -0.181   1.689  0.00  0.00    +0.109 C 
BRANCH  19  24
ATOM     20  C   LIG    1       -4.950   0.063  -1.503  0.00  0.00    +0.104 C 
ATOM     21  N   LIG    1       -4.909   0.994  -0.377  0.00  0.00    -0.305 NA
ATOM     22  C   LIG    1       -5.000   0.309   0.917  0.00  0.00    +0.084 C 
ATOM     23  C   LIG    1       -3.720  -0.427   1.326  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1       -2.508   0.515   1.288  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -2.421   1.211  -0.077  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1       -3.747   1.889  -0.433  0.00  0.00    +0.084 C 
ENDBRANCH  19  24
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5