REMARK  Name = BDB059270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.004  -1.260  -1.428  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.793  -1.071  -0.307  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.490  -0.423   0.426  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.477  -1.696  -2.476  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1       -4.493  -1.212  -3.595  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -3.619  -0.880  -2.420  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -4.171  -0.308  -1.266  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -3.369  -0.014  -0.147  0.00  0.00    +0.101 A 
ATOM      9  C   LIG    1       -2.005  -0.319  -0.193  0.00  0.00    +0.161 A 
ATOM     10  F   LIG    1       -1.209  -0.057   0.854  0.00  0.00    -0.202 F 
ATOM     11  C   LIG    1       -1.441  -0.909  -1.332  0.00  0.00    +0.075 A 
ATOM     12  C   LIG    1       -2.255  -1.188  -2.440  0.00  0.00    +0.019 A 
BRANCH   8  13
ATOM     13  N   LIG    1       -3.977   0.582   0.995  0.00  0.00    -0.237 N 
ATOM     14  N   LIG    1       -5.317   0.830   1.002  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -5.560   1.380   2.191  0.00  0.00    +0.135 A 
ATOM     16  C   LIG    1       -4.406   1.499   2.972  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1       -3.404   0.982   2.184  0.00  0.00    +0.114 A 
ENDBRANCH   8  13
ENDBRANCH   1  11
BRANCH   2  18
ATOM     18  N   LIG    1        2.313  -1.078  -0.561  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.499  -1.340  -1.545  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.058   0.448  -0.280  0.00  0.00    +0.076 S 
ATOM     21  O   LIG    1        3.443   0.929  -1.587  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        2.169   1.183   0.598  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.500   0.035   0.632  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1        5.527   0.968   0.684  0.00  0.00    +0.150 A 
ATOM     25  F   LIG    1        5.412   2.161   0.087  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1        6.699   0.685   1.381  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        6.841  -0.542   2.030  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        5.808  -1.481   1.983  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        4.632  -1.196   1.284  0.00  0.00    +0.031 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5