REMARK  Name = BDB064086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.655  -0.960   0.853  0.00  0.00    -0.237 N 
ATOM      2  C   LIG    1        2.102  -1.905   0.003  0.00  0.00    +0.145 C 
ATOM      3  S   LIG    1        2.813  -3.213  -0.727  0.00  0.00    -0.018 S 
ATOM      4  N   LIG    1        0.764  -1.587  -0.163  0.00  0.00    -0.292 N 
ATOM      5  H   LIG    1        0.082  -2.083  -0.730  0.00  0.00    +0.154 HD
ATOM      6  C   LIG    1        0.457  -0.465   0.549  0.00  0.00    +0.098 C 
ATOM      7  C   LIG    1       -0.728   0.147   0.631  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1        1.708  -0.032   1.236  0.00  0.00    +0.267 C 
ATOM      9  O   LIG    1        1.821   0.929   1.975  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -1.935  -0.264  -0.026  0.00  0.00    +0.095 A 
ATOM     11  C   LIG    1       -3.188   0.415   0.076  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -4.062  -0.324  -0.714  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -5.409   0.009  -0.886  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -5.875   1.147  -0.220  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.026   1.911   0.580  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -3.311  -1.351  -1.215  0.00  0.00    -0.276 N 
ATOM     17  H   LIG    1       -3.620  -2.091  -1.835  0.00  0.00    +0.189 HD
ATOM     18  C   LIG    1       -3.679   1.558   0.738  0.00  0.00    +0.012 A 
ATOM     19  N   LIG    1       -2.027  -1.344  -0.820  0.00  0.00    -0.173 NA
ENDBRANCH   7  10
BRANCH   1  20
ATOM     20  C   LIG    1        4.034  -0.870   1.287  0.00  0.00    +0.204 C 
BRANCH  20  23
ATOM     21  C   LIG    1        6.290   1.207  -1.487  0.00  0.00    +0.106 C 
ATOM     22  C   LIG    1        5.497   0.473  -0.500  0.00  0.00    -0.104 C 
ATOM     23  C   LIG    1        4.842  -0.130   0.306  0.00  0.00    -0.083 C 
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 3