REMARK  Name = BDB019808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.347   0.086  -1.835  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.927  -0.851  -1.162  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.438  -2.131  -1.275  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.237  -2.856  -0.591  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.166  -0.655  -0.178  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -1.141   0.311  -0.456  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -2.194   0.542   0.433  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -2.256  -0.191   1.617  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -1.274  -1.144   1.911  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -0.227  -1.376   1.019  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -3.073   1.503   0.025  0.00  0.00    -0.492 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -4.234   1.778   0.811  0.00  0.00    +0.232 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.344   0.836   0.454  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1       -5.860  -0.192   1.431  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1       -6.701   1.005   1.094  0.00  0.00    +0.007 C 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  N   LIG    1        2.796  -2.259  -1.960  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        2.917  -1.554  -2.704  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        4.132  -2.229  -0.879  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1        3.620  -2.680   0.405  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        5.253  -2.886  -1.512  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.522  -0.520  -0.736  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1        4.719   0.224  -1.890  0.00  0.00    +0.150 A 
ATOM     23  F   LIG    1        4.592  -0.338  -3.100  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1        5.027   1.579  -1.807  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        5.139   2.187  -0.556  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        4.941   1.439   0.607  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.631   0.080   0.522  0.00  0.00    +0.031 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 7