REMARK  Name = BDB062191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.764   0.398  -1.825  0.00  0.00    +0.163 C 
ATOM      2  N   LIG    1       -1.689   1.607  -2.437  0.00  0.00    -0.249 N 
ATOM      3  C   LIG    1       -2.446   2.106  -3.564  0.00  0.00    +0.140 C 
ATOM      4  C   LIG    1       -0.736   2.335  -1.787  0.00  0.00    +0.270 C 
ATOM      5  O   LIG    1       -0.346   3.467  -1.995  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.268   1.394  -0.728  0.00  0.00    +0.129 C 
ATOM      7  C   LIG    1        0.681   1.732   0.153  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -0.965   0.212  -0.822  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        1.206   0.888   1.239  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        1.395  -0.495   1.092  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        1.925  -1.199   2.154  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        2.166  -2.538   2.178  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        2.704  -2.692   3.507  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        2.783  -1.454   4.243  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        2.279  -0.582   3.330  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        2.124   0.774   3.510  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        1.587   1.513   2.449  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  S   LIG    1       -2.892  -0.783  -2.400  0.00  0.00    -0.090 S 
BRANCH  18  20
ATOM     19  C   LIG    1       -1.174  -2.905  -1.966  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -2.425  -2.238  -1.419  0.00  0.00    +0.074 C 
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 3