REMARK  Name = BDB003434
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -7.011  -0.808  -1.661  0.00  0.00    +0.157 C 
ATOM      2  N   LIG    1       -5.603  -0.563  -1.414  0.00  0.00    -0.262 N 
ATOM      3  C   LIG    1       -5.024  -1.275  -0.341  0.00  0.00    +0.333 A 
ATOM      4  O   LIG    1       -5.696  -2.058   0.337  0.00  0.00    -0.246 OA
ATOM      5  N   LIG    1       -3.668  -1.054  -0.085  0.00  0.00    -0.280 N 
ATOM      6  C   LIG    1       -2.998  -1.746   1.000  0.00  0.00    +0.155 C 
ATOM      7  C   LIG    1       -2.972  -0.170  -0.874  0.00  0.00    +0.169 A 
ATOM      8  C   LIG    1       -3.573   0.494  -1.898  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -2.595   1.269  -2.449  0.00  0.00    -0.327 N 
ATOM     10  H   LIG    1       -2.684   1.898  -3.236  0.00  0.00    +0.168 HD
ATOM     11  C   LIG    1       -1.459   1.028  -1.726  0.00  0.00    +0.169 A 
ATOM     12  N   LIG    1       -1.654   0.158  -0.760  0.00  0.00    -0.204 NA
ATOM     13  C   LIG    1       -4.938   0.344  -2.243  0.00  0.00    +0.282 A 
ATOM     14  O   LIG    1       -5.450   0.958  -3.173  0.00  0.00    -0.265 OA
ENDROOT
BRANCH  11  15
ATOM     15  S   LIG    1        0.005   1.839  -2.133  0.00  0.00    -0.086 S 
BRANCH  15  16
ATOM     16  C   LIG    1        1.121   1.143  -0.874  0.00  0.00    +0.097 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.526   1.725  -1.030  0.00  0.00    +0.128 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.436   1.185  -0.035  0.00  0.00    -0.233 N 
ATOM     19  C   LIG    1        3.596   1.709   1.218  0.00  0.00    +0.254 C 
ATOM     20  O   LIG    1        3.072   2.688   1.713  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1        4.537   0.834   1.916  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.868  -0.196   1.054  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        5.737  -1.205   1.420  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        6.279  -1.145   2.708  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.941  -0.094   3.587  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.056   0.914   3.193  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        4.138   0.021  -0.194  0.00  0.00    +0.254 C 
ATOM     28  O   LIG    1        4.169  -0.731  -1.148  0.00  0.00    -0.270 OA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  11  15
TORSDOF 4