REMARK  Name = BDB059911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.290  -0.681  -1.879  0.00  0.00    +0.202 A 
ATOM      2  C   LIG    1       -1.830  -0.185  -0.665  0.00  0.00    +0.103 A 
ATOM      3  N   LIG    1       -0.497  -0.570  -0.622  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1        0.394  -0.179   0.394  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -0.036   0.525   1.404  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -1.372   0.868   1.411  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -0.268  -1.391  -1.691  0.00  0.00    +0.209 A 
ATOM      8  C   LIG    1       -2.285   0.567   0.459  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1       -1.318  -1.477  -2.473  0.00  0.00    -0.217 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.664   0.991   0.758  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1       -4.511   0.151   1.499  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -5.805   0.563   1.820  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -6.247   1.816   1.409  0.00  0.00    +0.123 A 
ATOM     14  F   LIG    1       -7.490   2.209   1.717  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -5.418   2.667   0.688  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1       -4.122   2.258   0.368  0.00  0.00    +0.011 A 
ENDBRANCH   8  10
BRANCH   1  18
ATOM     17  C   LIG    1       -4.876  -1.663  -1.857  0.00  0.00    +0.202 C 
ATOM     18  S   LIG    1       -3.840  -0.464  -2.647  0.00  0.00    +0.013 S 
ATOM     19  O   LIG    1       -3.652  -0.857  -4.030  0.00  0.00    -0.168 OA
ATOM     20  O   LIG    1       -4.269   0.875  -2.302  0.00  0.00    -0.168 OA
ENDBRANCH   1  18
BRANCH   4  21
ATOM     21  N   LIG    1        1.719  -0.547   0.349  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.110  -0.385   1.276  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.594   0.094  -0.628  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.971  -0.489  -0.523  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.915  -0.033   0.392  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        4.817   1.023   1.429  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        6.295   1.144   1.803  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        6.972  -0.082   1.448  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        6.165  -0.633   0.487  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        6.534  -1.702  -0.305  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        5.606  -2.173  -1.233  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        4.344  -1.571  -1.333  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1        3.472  -2.058  -2.228  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5