REMARK  Name = BDB057811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.105   0.962   0.480  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.588   2.188   0.974  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -1.980   2.332   0.972  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.528   3.514   1.457  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.731   4.558   1.934  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.350   4.428   1.927  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -2.803   1.382   0.524  0.00  0.00    -0.227 NA
ATOM      8  C   LIG    1       -2.245   0.262   0.038  0.00  0.00    +0.163 A 
ATOM      9  C   LIG    1        0.222   3.252   1.448  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.930   0.012   0.006  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -3.157  -0.799  -0.430  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -2.883  -1.627  -1.546  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -3.796  -2.649  -1.894  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -4.975  -2.842  -1.177  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.264  -2.020  -0.098  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.367  -1.015   0.268  0.00  0.00    +0.012 A 
BRANCH  12  17
ATOM     17  C   LIG    1       -1.642  -1.458  -2.395  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -1.759  -2.079  -3.611  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -0.527  -2.005  -1.836  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -1.347  -0.165  -2.701  0.00  0.00    -0.166 F 
ENDBRANCH  12  17
ENDBRANCH   8  11
BRANCH   1  21
ATOM     21  N   LIG    1        1.285   0.730   0.460  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        1.660   0.864   1.394  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.696  -0.568  -0.072  0.00  0.00    +0.145 C 
BRANCH  23  27
ATOM     24  C   LIG    1        6.609  -1.908   1.562  0.00  0.00    +0.051 C 
ATOM     25  C   LIG    1        5.455  -1.383   0.779  0.00  0.00    -0.013 A 
ATOM     26  S   LIG    1        3.866  -1.545   1.391  0.00  0.00    -0.097 S 
ATOM     27  C   LIG    1        3.184  -0.770   0.025  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        4.158  -0.384  -0.875  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        5.467  -0.741  -0.441  0.00  0.00    +0.011 A 
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 5