REMARK  Name = BDB031647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.279  -2.090   1.416  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.411  -1.472   0.351  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.076  -0.090   0.324  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -1.262   0.391  -0.710  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1       -1.081   1.741  -0.495  0.00  0.00    -0.358 N 
ATOM      6  H   LIG    1       -0.525   2.346  -1.084  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1       -1.750   2.140   0.628  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -0.760  -0.438  -1.722  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1       -1.084  -1.792  -1.679  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -2.378   1.033   1.157  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1       -1.895  -2.299  -0.667  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        0.104   0.066  -2.727  0.00  0.00    -0.214 N 
ATOM     13  H   LIG    1       -0.091   0.967  -3.156  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1        1.734  -0.356  -2.721  0.00  0.00    +0.072 S 
ATOM     15  O   LIG    1        2.374   0.522  -3.678  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        1.868  -1.793  -2.808  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.271   0.150  -1.098  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        2.225  -0.762  -0.038  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        2.646  -0.363   1.232  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        3.128   0.935   1.438  0.00  0.00    +0.052 A 
ATOM     21  C   LIG    1        3.192   1.835   0.365  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        2.769   1.443  -0.907  0.00  0.00    +0.030 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.562   1.343   2.743  0.00  0.00    +0.099 C 
ATOM     24  N   LIG    1        3.911   1.683   3.796  0.00  0.00    -0.191 NA
ENDBRANCH  20  23
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH  10  25
ATOM     25  C   LIG    1       -3.179   1.055   2.342  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1       -3.829   1.073   3.303  0.00  0.00    -0.191 NA
ENDBRANCH  10  25
TORSDOF 5