REMARK  Name = BDB016302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.961   1.267   1.560  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.046   1.655   0.401  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -0.990   0.682   0.182  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.313   0.691   0.944  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.210  -0.624  -0.283  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.358  -1.069  -0.979  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.455  -2.421  -1.372  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.426  -3.328  -1.150  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.265  -2.895  -0.534  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.490  -0.310  -1.337  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.271  -0.819  -1.734  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -3.763   1.015  -1.304  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -4.878   1.391  -1.680  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.133  -1.560  -0.110  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.730   2.010  -0.895  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        1.149  -1.174   0.510  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1        2.112  -0.473  -0.229  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        3.318  -0.098   0.371  0.00  0.00    +0.088 A 
ATOM     19  C   LIG    1        3.595  -0.433   1.697  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        2.644  -1.135   2.436  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        1.430  -1.501   1.847  0.00  0.00    +0.009 A 
BRANCH  18  22
ATOM     22  S   LIG    1        4.518   0.790  -0.592  0.00  0.00    -0.006 S 
ATOM     23  O   LIG    1        5.735   0.879   0.193  0.00  0.00    -0.170 OA
ATOM     24  O   LIG    1        4.528   0.201  -1.917  0.00  0.00    -0.170 OA
ATOM     25  C   LIG    1        3.829   2.421  -0.707  0.00  0.00    +0.200 C 
ENDBRANCH  18  22
ENDBRANCH  14  16
TORSDOF 2