REMARK  Name = BDB052123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.380  -0.988  -2.265  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.482  -1.687  -1.456  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1        0.818  -1.494  -0.049  0.00  0.00    +0.132 C 
ATOM      4  C   LIG    1        1.169  -2.900   0.436  0.00  0.00    +0.031 C 
ATOM      5  C   LIG    1        1.776  -3.569  -0.786  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        1.019  -2.949  -1.945  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1       -0.480  -1.310  -3.458  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.967  -0.523   0.169  0.00  0.00    +0.100 A 
ATOM      9  S   LIG    1        3.276  -0.355  -0.936  0.00  0.00    -0.070 S 
ATOM     10  C   LIG    1        3.965   0.878   0.044  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1        3.169   1.065   1.172  0.00  0.00    +0.081 A 
ATOM     12  C   LIG    1        3.542   2.036   2.136  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1        4.702   2.798   1.902  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        5.479   2.596   0.763  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        2.709   2.315   3.349  0.00  0.00    +0.046 C 
ATOM     16  C   LIG    1        5.129   1.629  -0.182  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        2.052   0.245   1.237  0.00  0.00    -0.242 NA
ENDBRANCH   3   8
BRANCH   1  18
ATOM     18  C   LIG    1       -1.386   0.062  -1.720  0.00  0.00    +0.162 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.856   1.287  -0.954  0.00  0.00    +0.018 C 
ATOM     20  C   LIG    1        0.213   2.020  -1.792  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1        0.750   3.259  -1.080  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -0.368   4.224  -0.716  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -1.457   3.527   0.090  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -1.986   2.285  -0.625  0.00  0.00    +0.006 C 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     25  C   LIG    1       -2.761  -0.973   0.167  0.00  0.00    +0.230 C 
ATOM     26  N   LIG    1       -2.512  -0.693  -1.159  0.00  0.00    -0.302 N 
ATOM     27  H   LIG    1       -2.886  -1.406  -1.782  0.00  0.00    +0.150 HD
ATOM     28  O   LIG    1       -2.202  -0.432   1.111  0.00  0.00    -0.274 OA
BRANCH  25  29
ATOM     29  C   LIG    1       -3.855  -2.060   0.335  0.00  0.00    +0.137 C 
ATOM     30  C   LIG    1       -4.094  -2.353   1.806  0.00  0.00    +0.034 C 
BRANCH  29  32
ATOM     31  C   LIG    1       -4.472  -4.207  -0.664  0.00  0.00    +0.101 C 
ATOM     32  N   LIG    1       -3.403  -3.248  -0.423  0.00  0.00    -0.309 NA
ATOM     33  H   LIG    1       -2.652  -3.697   0.093  0.00  0.00    +0.122 HD
ENDBRANCH  29  32
ENDBRANCH  25  29
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 6