REMARK  Name = BDB059389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.868   0.100  -0.993  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1       -0.168   0.479  -0.159  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.099   0.407   0.855  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.708  -0.070  -2.199  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.616   0.066  -0.584  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        3.336   0.218  -1.124  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        2.200  -0.081  -0.362  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1        2.346  -0.563   0.943  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        3.624  -0.716   1.483  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        4.755  -0.398   0.725  0.00  0.00    +0.045 A 
BRANCH   5  12
ATOM     11  C   LIG    1        6.961   0.228  -0.946  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        5.636   0.405  -1.429  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  13
ATOM     13  N   LIG    1       -1.584   0.278  -0.722  0.00  0.00    -0.108 NA
ATOM     14  H   LIG    1       -1.525   0.029  -1.723  0.00  0.00    +0.172 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -2.465  -0.946   0.090  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1       -2.538  -2.083  -0.800  0.00  0.00    -0.152 OA
ATOM     17  O   LIG    1       -1.911  -1.055   1.426  0.00  0.00    -0.152 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -4.067  -0.200   0.204  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1       -4.328   0.710   1.234  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1       -5.596   1.283   1.338  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -6.594   0.940   0.423  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -6.331   0.022  -0.595  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -5.066  -0.555  -0.706  0.00  0.00    +0.028 A 
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   2  13
TORSDOF 5