REMARK  Name = BDB050747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.072  -0.872   0.538  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1       -1.291  -1.287   1.846  0.00  0.00    +0.170 A 
ATOM      3  F   LIG    1       -0.534  -2.244   2.402  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1       -2.303  -0.694   2.587  0.00  0.00    +0.159 A 
ATOM      5  F   LIG    1       -2.507  -1.065   3.859  0.00  0.00    -0.202 F 
ATOM      6  C   LIG    1       -3.119   0.290   2.028  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -2.938   0.684   0.693  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1       -1.896   0.101  -0.045  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      9  N   LIG    1        3.998  -0.225  -0.065  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1        3.399  -0.901  -1.236  0.00  0.00    +0.124 C 
ATOM     11  C   LIG    1        2.325  -1.926  -0.828  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        1.299  -1.339   0.039  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1       -0.038  -1.506  -0.294  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1       -0.430  -2.116  -1.286  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        1.793  -0.409   1.065  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        3.326  -0.418   1.229  0.00  0.00    +0.124 C 
BRANCH   9  21
ATOM     17  C   LIG    1        9.420   1.640  -0.423  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        7.998   1.178  -0.321  0.00  0.00    -0.050 A 
ATOM     19  C   LIG    1        7.183   1.125  -1.451  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        5.864   0.662  -1.355  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        5.312   0.221  -0.140  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        6.155   0.279   0.980  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        7.476   0.740   0.895  0.00  0.00    +0.005 A 
ENDBRANCH   9  21
ENDBRANCH   1  13
BRANCH   7  24
ATOM     24  C   LIG    1       -3.820   1.740   0.064  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.309   1.471   0.245  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -5.994   0.463  -0.603  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -7.354   0.259  -0.374  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -8.075  -0.676  -1.127  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -7.427  -1.415  -2.116  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.068  -1.217  -2.351  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -8.031   1.041   0.673  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1       -9.226   0.899   0.907  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -7.247   1.931   1.365  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1       -7.699   2.479   2.091  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1       -5.350  -0.280  -1.600  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1       -5.920   2.151   1.171  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 4