REMARK  Name = BDB061779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.148   0.937  -0.409  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.297   2.159  -1.058  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.306   2.368  -1.916  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.597   3.196  -0.815  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.663   3.002   0.069  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -1.854   1.762   0.703  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -0.929   0.733   0.462  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1        4.766  -0.832  -0.893  0.00  0.00    +0.071 C 
ATOM      9  N   LIG    1        5.284   0.028   0.197  0.00  0.00    -0.310 NA
ATOM     10  H   LIG    1        5.217  -0.488   1.075  0.00  0.00    +0.122 HD
ATOM     11  C   LIG    1        4.451   1.238   0.295  0.00  0.00    +0.100 C 
ATOM     12  C   LIG    1        2.963   0.929   0.533  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1        2.430  -0.030  -0.441  0.00  0.00    -0.295 N 
ATOM     14  C   LIG    1        1.064  -0.183  -0.683  0.00  0.00    +0.249 C 
ATOM     15  O   LIG    1        0.563  -1.222  -1.109  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        3.276  -1.200  -0.684  0.00  0.00    +0.126 C 
BRANCH   8  18
ATOM     17  C   LIG    1        7.071  -1.842  -1.354  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1        5.612  -2.112  -1.007  0.00  0.00    +0.017 C 
ENDBRANCH   8  18
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  C   LIG    1       -3.010   1.579   1.668  0.00  0.00    +0.162 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.677   0.280   1.574  0.00  0.00    -0.289 N 
ATOM     21  C   LIG    1       -4.579  -0.013   0.504  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1       -5.201  -1.266   0.450  0.00  0.00    +0.063 A 
ATOM     23  C   LIG    1       -6.093  -1.599  -0.579  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1       -6.375  -0.672  -1.576  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.768   0.580  -1.542  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.912  -2.255   1.500  0.00  0.00    +0.262 A 
ATOM     27  O   LIG    1       -5.442  -3.359   1.516  0.00  0.00    -0.267 OA
ATOM     28  N   LIG    1       -4.022  -1.864   2.460  0.00  0.00    -0.274 N 
ATOM     29  H   LIG    1       -3.809  -2.538   3.180  0.00  0.00    +0.173 HD
ATOM     30  C   LIG    1       -4.878   0.907  -0.511  0.00  0.00    +0.027 A 
ATOM     31  C   LIG    1       -3.390  -0.658   2.555  0.00  0.00    +0.330 A 
ATOM     32  O   LIG    1       -2.607  -0.463   3.484  0.00  0.00    -0.246 OA
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 4