REMARK  Name = BDB064405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.515  -1.796  -0.765  0.00  0.00    -0.304 N 
ATOM      2  H   LIG    1       -1.652  -2.784  -0.945  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.262  -1.399  -1.129  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1        0.473  -2.244  -1.642  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -4.952   2.238   0.763  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.311   1.248   0.427  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -3.457   0.628   1.305  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -3.363   1.073   2.209  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.546  -0.365   1.030  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -1.708  -0.695   1.866  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.685  -1.028  -0.349  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -3.150  -0.021  -1.396  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -4.452   0.619  -0.939  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        0.180   0.040  -0.922  0.00  0.00    +0.130 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.575   0.151  -0.349  0.00  0.00    -0.039 A 
ATOM     16  C   LIG    1        1.787  -0.037   1.026  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        3.072   0.049   1.563  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        4.147   0.329   0.717  0.00  0.00    +0.122 A 
ATOM     19  C   LIG    1        3.958   0.504  -0.655  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        2.671   0.414  -1.185  0.00  0.00    +0.006 A 
BRANCH  18  21
ATOM     21  S   LIG    1        5.777   0.398   1.395  0.00  0.00    +0.147 S 
ATOM     22  F   LIG    1        5.807  -0.630   2.610  0.00  0.00    -0.056 F 
ATOM     23  O   LIG    1        6.700  -0.141   0.416  0.00  0.00    -0.138 OA
ATOM     24  O   LIG    1        5.949   1.710   1.983  0.00  0.00    -0.138 OA
ENDBRANCH  18  21
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 4