REMARK  Name = BDB052106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.094  -1.814  -0.268  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.823  -2.259   0.656  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1        1.077  -1.732   2.001  0.00  0.00    +0.132 C 
ATOM      4  C   LIG    1        2.009  -2.774   2.618  0.00  0.00    +0.031 C 
ATOM      5  C   LIG    1        2.812  -3.280   1.427  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        1.800  -3.269   0.294  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1       -0.110  -2.259  -1.421  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.732  -0.369   1.927  0.00  0.00    +0.099 A 
ATOM      9  S   LIG    1        1.459   0.780   3.180  0.00  0.00    -0.078 S 
ATOM     10  C   LIG    1        2.410   1.922   2.322  0.00  0.00    +0.075 A 
ATOM     11  C   LIG    1        2.893   1.362   1.156  0.00  0.00    +0.078 A 
ATOM     12  N   LIG    1        2.507   0.048   0.944  0.00  0.00    -0.242 NA
BRANCH  11  13
ATOM     13  C   LIG    1        3.780   2.045   0.221  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.721   1.296  -0.502  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        5.601   1.919  -1.387  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.543   3.297  -1.579  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.601   4.054  -0.874  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.724   3.432   0.022  0.00  0.00    +0.010 A 
ENDBRANCH  11  13
ENDBRANCH   3   8
BRANCH   1  19
ATOM     19  C   LIG    1       -1.115  -0.735   0.155  0.00  0.00    +0.162 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.550  -1.280   0.369  0.00  0.00    +0.018 C 
ATOM     21  C   LIG    1       -3.174  -1.959  -0.860  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -4.657  -2.294  -0.643  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -5.031  -2.516   0.824  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -3.873  -3.115   1.605  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -2.633  -2.210   1.593  0.00  0.00    +0.006 C 
ENDBRANCH  19  20
BRANCH  19  27
ATOM     26  C   LIG    1       -1.266   1.621  -0.630  0.00  0.00    +0.230 C 
ATOM     27  N   LIG    1       -1.087   0.282  -0.892  0.00  0.00    -0.302 N 
ATOM     28  H   LIG    1       -0.914  -0.036  -1.843  0.00  0.00    +0.150 HD
ATOM     29  O   LIG    1       -1.488   2.058   0.498  0.00  0.00    -0.274 OA
BRANCH  26  30
ATOM     30  C   LIG    1       -1.152   2.527  -1.872  0.00  0.00    +0.137 C 
ATOM     31  C   LIG    1        0.317   2.830  -2.135  0.00  0.00    +0.034 C 
BRANCH  30  33
ATOM     32  C   LIG    1       -3.315   3.600  -1.747  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1       -1.881   3.799  -1.665  0.00  0.00    -0.309 NA
ATOM     34  H   LIG    1       -1.655   4.125  -0.723  0.00  0.00    +0.122 HD
ENDBRANCH  30  33
ENDBRANCH  26  30
ENDBRANCH  19  27
ENDBRANCH   1  19
TORSDOF 7