REMARK  Name = BDB059366
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.014  -1.523   0.975  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.004  -0.463   0.354  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.125   0.347   0.324  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.242   1.082  -0.372  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.194   0.011  -0.388  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -2.460  -0.383   0.079  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -3.650   0.028  -0.558  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -3.519   0.831  -1.702  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -2.262   1.203  -2.172  0.00  0.00    +0.125 A 
ATOM     10  F   LIG    1       -2.175   1.960  -3.273  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -1.097   0.804  -1.531  0.00  0.00    +0.051 A 
BRANCH   7  12
ATOM     12  C   LIG    1       -4.969  -0.393  -0.037  0.00  0.00    +0.071 A 
ATOM     13  N   LIG    1       -4.986  -1.584   0.612  0.00  0.00    -0.255 NA
ATOM     14  C   LIG    1       -6.164  -2.024   1.107  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -7.353  -1.327   0.995  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -7.331  -0.105   0.339  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -6.128   0.370  -0.183  0.00  0.00    +0.028 A 
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  N   LIG    1        2.440  -0.324   0.760  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.249  -1.288   1.084  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.605  -0.408  -0.502  0.00  0.00    +0.076 S 
ATOM     21  O   LIG    1        3.223   0.604  -1.468  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        3.713  -1.810  -0.835  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.092   0.112   0.272  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1        6.283  -0.106  -0.409  0.00  0.00    +0.150 A 
ATOM     25  F   LIG    1        6.293  -0.670  -1.624  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1        7.497   0.272   0.158  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        7.516   0.875   1.416  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        6.320   1.100   2.101  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.102   0.720   1.532  0.00  0.00    +0.031 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5