REMARK  Name = BDB059234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.494   0.809  -1.298  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.189  -0.381  -1.276  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1        1.080  -1.401  -1.563  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.867  -2.349  -1.242  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.203  -0.774  -0.918  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1       -1.627  -2.101  -0.875  0.00  0.00    +0.136 A 
ATOM      7  F   LIG    1       -0.784  -3.107  -1.154  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -2.938  -2.421  -0.538  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -3.848  -1.404  -0.237  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -3.459  -0.053  -0.266  0.00  0.00    -0.015 A 
ATOM     11  C   LIG    1       -2.126   0.241  -0.611  0.00  0.00    +0.024 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -4.415   1.020   0.050  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -5.219   0.982   1.185  0.00  0.00    +0.143 A 
ATOM     14  N   LIG    1       -6.113   1.944   1.505  0.00  0.00    -0.157 NA
ATOM     15  N   LIG    1       -6.248   3.020   0.692  0.00  0.00    -0.158 NA
ATOM     16  C   LIG    1       -5.488   3.107  -0.417  0.00  0.00    +0.135 A 
ATOM     17  C   LIG    1       -4.568   2.138  -0.772  0.00  0.00    +0.031 A 
ENDBRANCH  10  12
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  N   LIG    1        2.561  -1.048  -1.557  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        3.009  -1.082  -2.478  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.502  -1.875  -0.400  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        4.536  -2.554  -1.151  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        2.598  -2.593   0.475  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.234  -0.551   0.516  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        3.421   0.465   1.027  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        4.001   1.513   1.742  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.383   1.542   1.944  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.190   0.525   1.430  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.618  -0.526   0.712  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5