REMARK  Name = BDB059246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.592   0.297   1.736  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.319  -0.798   1.250  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.016  -1.942   1.593  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.965  -2.809   1.060  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.782  -0.945   0.265  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -1.864  -0.052   0.345  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -2.950  -0.118  -0.553  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -2.899  -1.112  -1.546  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -1.816  -1.982  -1.632  0.00  0.00    +0.125 A 
ATOM     10  F   LIG    1       -1.795  -2.907  -2.601  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -0.754  -1.911  -0.741  0.00  0.00    +0.051 A 
BRANCH   7  12
ATOM     12  C   LIG    1       -4.090   0.815  -0.457  0.00  0.00    +0.160 A 
ATOM     13  N   LIG    1       -4.081   1.722   0.540  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1       -5.133   2.559   0.605  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1       -6.185   2.526  -0.278  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1       -6.103   1.566  -1.257  0.00  0.00    +0.114 A 
ATOM     17  N   LIG    1       -5.075   0.703  -1.370  0.00  0.00    -0.236 NA
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  N   LIG    1        2.322  -1.725   2.353  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.358  -0.778   2.759  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.734  -2.075   1.448  0.00  0.00    +0.076 S 
ATOM     21  O   LIG    1        3.376  -3.043   0.430  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        4.791  -2.346   2.399  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.087  -0.528   0.682  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1        3.393  -0.153  -0.461  0.00  0.00    +0.150 A 
ATOM     25  F   LIG    1        2.426  -0.923  -0.979  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1        3.677   1.058  -1.087  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        4.670   1.892  -0.571  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        5.378   1.511   0.570  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.092   0.297   1.199  0.00  0.00    +0.031 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5