REMARK  Name = BDB051206
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.164  -0.787   0.868  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1       -1.811  -1.921   1.631  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.767  -1.727   2.549  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.365  -2.797   3.341  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.967  -4.054   3.246  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.996  -4.259   2.335  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -0.140  -0.560   2.696  0.00  0.00    -0.221 NA
ATOM      8  C   LIG    1       -0.531   0.446   1.899  0.00  0.00    +0.195 A 
ATOM      9  C   LIG    1       -2.413  -3.203   1.526  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -1.510   0.381   0.991  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -3.246  -0.881  -0.054  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -4.047  -1.308   0.404  0.00  0.00    +0.155 HD
BRANCH  11  18
ATOM     13  C   LIG    1       -3.057   2.377  -3.844  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -3.447   1.408  -2.791  0.00  0.00    +0.062 A 
ATOM     15  N   LIG    1       -4.718   0.999  -2.685  0.00  0.00    -0.178 NA
ATOM     16  N   LIG    1       -4.687   0.129  -1.658  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1       -5.552  -0.324  -1.393  0.00  0.00    +0.190 HD
ATOM     18  C   LIG    1       -3.450  -0.025  -1.091  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1       -2.620   0.798  -1.820  0.00  0.00    +0.068 A 
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   8  20
ATOM     20  S   LIG    1        0.311   2.000   2.082  0.00  0.00    -0.050 S 
BRANCH  20  21
ATOM     21  C   LIG    1        1.528   1.818   0.789  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        2.719   1.121   1.036  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        3.687   0.970   0.028  0.00  0.00    -0.017 A 
ATOM     24  C   LIG    1        3.454   1.543  -1.246  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1        4.423   1.397  -2.252  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        5.603   0.689  -2.009  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.829   0.119  -0.758  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        2.260   2.244  -1.480  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        4.878   0.260   0.255  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        1.304   2.379  -0.469  0.00  0.00    +0.016 A 
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 4