REMARK  Name = BDB059286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.010  -2.741   0.380  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        2.404  -2.385  -0.503  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -0.068  -1.885  -0.629  0.00  0.00    +0.259 C 
ATOM      4  N   LIG    1        0.474  -2.719   0.335  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1        0.031  -2.777   1.254  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1        0.628  -1.375  -1.505  0.00  0.00    -0.269 OA
BRANCH   3   9
ATOM      7  C   LIG    1       -3.357  -0.076  -1.027  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -2.003  -0.413  -1.107  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1       -1.519  -1.587  -0.516  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -2.405  -2.442   0.147  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -3.757  -2.107   0.232  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.230  -0.926  -0.349  0.00  0.00    +0.046 A 
BRANCH   7  13
ATOM     13  O   LIG    1       -3.682   1.103  -1.635  0.00  0.00    -0.492 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -5.497   2.278  -0.539  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1       -5.056   1.469  -1.747  0.00  0.00    +0.225 C 
ENDBRANCH  13  15
ENDBRANCH   7  13
ENDBRANCH   3   9
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  S   LIG    1        2.691  -1.943   1.734  0.00  0.00    +0.076 S 
ATOM     17  O   LIG    1        4.045  -2.436   1.880  0.00  0.00    -0.152 OA
ATOM     18  O   LIG    1        1.739  -2.034   2.822  0.00  0.00    -0.152 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.790  -0.272   1.187  0.00  0.00    +0.145 A 
ATOM     20  C   LIG    1        1.660   0.534   1.239  0.00  0.00    +0.150 A 
ATOM     21  F   LIG    1        0.479   0.059   1.656  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1        1.731   1.860   0.829  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1        2.946   2.379   0.379  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        4.094   1.579   0.338  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1        4.017   0.247   0.746  0.00  0.00    +0.077 A 
BRANCH  24  26
ATOM     26  O   LIG    1        5.215   2.217  -0.115  0.00  0.00    -0.495 OA
ATOM     27  C   LIG    1        6.418   1.458  -0.163  0.00  0.00    +0.277 C 
ENDBRANCH  24  26
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7