REMARK  Name = BDB032574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.206  -1.578   0.089  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1       -0.745  -2.766   0.574  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1        0.295  -3.222  -0.223  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1        0.462  -2.291  -1.163  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1       -0.473  -1.248  -1.027  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -3.303  -1.613   1.493  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -2.269  -0.912   0.837  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -2.253   0.497   0.895  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -3.228   1.218   1.597  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -4.239   0.502   2.247  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -4.279  -0.896   2.195  0.00  0.00    +0.047 A 
BRANCH   9  12
ATOM     12  C   LIG    1       -3.216   2.676   1.665  0.00  0.00    +0.227 A 
ATOM     13  O   LIG    1       -2.207   3.324   0.995  0.00  0.00    -0.444 OA
ATOM     14  C   LIG    1       -2.448   4.644   1.224  0.00  0.00    +0.217 A 
ATOM     15  C   LIG    1       -3.568   4.741   2.009  0.00  0.00    +0.152 A 
ATOM     16  N   LIG    1       -4.051   3.489   2.288  0.00  0.00    -0.217 NA
ENDBRANCH   9  12
BRANCH   6  18
ATOM     17  C   LIG    1       -4.271  -3.716   2.102  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -3.303  -2.978   1.370  0.00  0.00    -0.494 OA
ENDBRANCH   6  18
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  N   LIG    1        1.469  -2.428  -2.106  0.00  0.00    -0.197 N 
ATOM     20  H   LIG    1        2.094  -3.221  -1.976  0.00  0.00    +0.175 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.215  -1.110  -2.829  0.00  0.00    +0.081 S 
ATOM     22  O   LIG    1        1.188  -0.347  -3.508  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        3.346  -1.616  -3.583  0.00  0.00    -0.150 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.865  -0.218  -1.428  0.00  0.00    +0.191 A 
ATOM     25  C   LIG    1        3.846  -0.857  -0.649  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1        4.382  -0.221   0.472  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        3.971   1.066   0.798  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        3.008   1.711   0.018  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1        2.438   1.079  -1.097  0.00  0.00    +0.150 A 
BRANCH  25  30
ATOM     30  O   LIG    1        4.210  -2.153  -0.915  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1        5.588  -2.248  -1.286  0.00  0.00    +0.277 C 
ENDBRANCH  25  30
BRANCH  29  32
ATOM     32  O   LIG    1        1.472   1.660  -1.866  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1        1.022   2.967  -1.535  0.00  0.00    +0.277 C 
ENDBRANCH  29  32
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 8