REMARK  Name = BDB032570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.066   0.009  -1.370  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1       -0.077  -0.876  -1.683  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1        1.133  -0.212  -1.758  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1        0.865   1.068  -1.496  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1       -0.511   1.262  -1.264  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -4.089  -2.188  -1.855  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -2.805  -1.651  -1.979  0.00  0.00    +0.061 A 
ATOM      8  C   LIG    1       -2.403  -0.546  -1.203  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1       -3.314  -0.010  -0.277  0.00  0.00    +0.132 A 
ATOM     10  C   LIG    1       -4.608  -0.526  -0.171  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -4.987  -1.615  -0.953  0.00  0.00    +0.049 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -3.715  -3.877  -3.489  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -4.588  -3.251  -2.556  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
BRANCH   9  14
ATOM     14  O   LIG    1       -2.956   1.069   0.493  0.00  0.00    -0.489 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.871   0.750   1.893  0.00  0.00    +0.167 C 
ATOM     16  C   LIG    1       -3.721   1.764   2.651  0.00  0.00    +0.051 C 
ATOM     17  C   LIG    1       -1.409   0.853   2.319  0.00  0.00    +0.051 C 
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   1   8
BRANCH   4  18
ATOM     18  N   LIG    1        1.807   2.082  -1.432  0.00  0.00    -0.197 N 
ATOM     19  H   LIG    1        1.531   2.986  -1.062  0.00  0.00    +0.175 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.453   1.800  -1.250  0.00  0.00    +0.081 S 
ATOM     21  O   LIG    1        3.909   1.142  -2.456  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1        4.025   3.073  -0.851  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.569   0.727   0.155  0.00  0.00    +0.191 A 
ATOM     24  C   LIG    1        2.882   1.064   1.331  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1        2.905   0.204   2.435  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1        3.663  -0.963   2.393  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        4.392  -1.274   1.246  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        4.335  -0.442   0.121  0.00  0.00    +0.150 A 
BRANCH  24  29
ATOM     29  O   LIG    1        2.127   2.208   1.407  0.00  0.00    -0.493 OA
ATOM     30  C   LIG    1        2.736   3.161   2.284  0.00  0.00    +0.277 C 
ENDBRANCH  24  29
BRANCH  28  31
ATOM     31  O   LIG    1        5.138  -0.749  -0.941  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1        4.612  -1.848  -1.688  0.00  0.00    +0.277 C 
ENDBRANCH  28  31
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   4  18
TORSDOF 9