REMARK  Name = BDB059244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.458  -0.787   1.645  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.220  -1.293   0.549  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.016  -2.289   0.016  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.971  -2.576  -0.960  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.952  -0.855  -0.253  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -2.061  -0.340   0.439  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -3.193   0.093  -0.266  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -3.201   0.014  -1.667  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -2.091  -0.481  -2.354  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -0.964  -0.911  -1.651  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -4.332   0.614   0.413  0.00  0.00    -0.237 N 
ATOM     12  N   LIG    1       -5.429   1.026  -0.287  0.00  0.00    -0.172 NA
ATOM     13  C   LIG    1       -6.288   1.445   0.645  0.00  0.00    +0.173 A 
ATOM     14  C   LIG    1       -5.758   1.308   1.924  0.00  0.00    +0.161 A 
ATOM     15  F   LIG    1       -6.346   1.628   3.078  0.00  0.00    -0.202 F 
ATOM     16  C   LIG    1       -4.509   0.777   1.771  0.00  0.00    +0.152 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.367  -2.501   0.692  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.387  -2.067   1.626  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.713  -2.021  -0.255  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        3.320  -2.095  -1.648  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        4.861  -2.751   0.240  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.915  -0.332   0.204  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        3.103   0.637  -0.371  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1        2.138   0.317  -1.242  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        3.267   1.978  -0.032  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        4.255   2.349   0.880  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        5.081   1.378   1.449  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.916   0.034   1.111  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5