REMARK  Name = BDB065350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.482  -1.787   0.689  0.00  0.00    +0.061 S 
ATOM      2  O   LIG    1       -2.118  -2.630   1.677  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1       -1.409  -2.130  -0.714  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -2.122  -0.151   0.890  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1       -3.314   0.173   0.238  0.00  0.00    +0.097 A 
ATOM      6  C   LIG    1       -3.792   1.494   0.402  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.984   1.863  -0.238  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -5.676   0.940  -1.009  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -5.150  -0.329  -1.112  0.00  0.00    +0.111 A 
ATOM     10  C   LIG    1       -3.096   2.424   1.194  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -1.923   2.063   1.845  0.00  0.00    +0.003 A 
ATOM     12  N   LIG    1       -4.005  -0.715  -0.510  0.00  0.00    -0.253 NA
ATOM     13  C   LIG    1       -1.433   0.772   1.698  0.00  0.00    +0.031 A 
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  N   LIG    1        0.115  -1.655   1.202  0.00  0.00    -0.182 NA
ATOM     15  H   LIG    1        0.376  -2.338   1.918  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.141  -1.326   0.201  0.00  0.00    +0.185 C 
BRANCH  16  18
ATOM     17  O   LIG    1        2.636  -1.611   2.072  0.00  0.00    -0.291 OA
ATOM     18  C   LIG    1        2.486  -1.234   0.907  0.00  0.00    +0.181 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.661  -0.686   0.175  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        3.639  -0.406  -1.192  0.00  0.00    +0.134 A 
ATOM     21  F   LIG    1        2.544  -0.628  -1.930  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        4.764   0.107  -1.838  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        5.933   0.345  -1.117  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        5.974   0.066   0.248  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.845  -0.448   0.892  0.00  0.00    +0.014 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 5