REMARK  Name = BDB059336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.069   0.787   0.635  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.812  -0.278   0.709  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.565  -1.181   0.294  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.316   1.947   0.776  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.791  -2.472  -0.349  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -3.319  -1.066  -0.126  0.00  0.00    -0.012 A 
ATOM      7  C   LIG    1       -1.966  -0.811   0.133  0.00  0.00    +0.139 A 
ATOM      8  F   LIG    1       -1.115  -1.850   0.148  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -1.500   0.486   0.366  0.00  0.00    +0.075 A 
ATOM     10  C   LIG    1       -2.413   1.552   0.346  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1       -3.774   1.313   0.101  0.00  0.00    +0.087 A 
ATOM     12  C   LIG    1       -4.224   0.003  -0.129  0.00  0.00    +0.035 A 
BRANCH  11  13
ATOM     13  N   LIG    1       -4.697   2.393   0.089  0.00  0.00    -0.150 N 
ATOM     14  N   LIG    1       -4.311   3.678   0.311  0.00  0.00    -0.156 NA
ATOM     15  C   LIG    1       -5.463   4.343   0.208  0.00  0.00    +0.156 A 
ATOM     16  C   LIG    1       -6.502   3.452  -0.067  0.00  0.00    +0.156 A 
ATOM     17  N   LIG    1       -6.026   2.207  -0.143  0.00  0.00    -0.156 NA
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  N   LIG    1        2.304   0.090   0.620  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.410   1.115   0.695  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.049  -0.416  -0.838  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        2.289  -1.540  -1.348  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        3.280   0.771  -1.630  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.603  -1.017  -0.237  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        4.673  -2.300   0.315  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        5.899  -2.784   0.770  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        7.045  -1.993   0.666  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.971  -0.718   0.104  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.749  -0.225  -0.354  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5