REMARK  Name = BDB050740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.031   0.866   0.393  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1        0.853   1.585   1.571  0.00  0.00    +0.170 A 
ATOM      3  F   LIG    1       -0.252   2.319   1.773  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1        1.828   1.535   2.559  0.00  0.00    +0.159 A 
ATOM      5  F   LIG    1        1.655   2.209   3.705  0.00  0.00    -0.202 F 
ATOM      6  C   LIG    1        2.990   0.788   2.381  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1        3.196   0.079   1.188  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1        2.211   0.135   0.189  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  10
ATOM      9  O   LIG    1        0.453   1.219  -1.813  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        0.037   0.923  -0.694  0.00  0.00    +0.250 C 
ATOM     11  N   LIG    1       -1.300   0.634  -0.427  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1       -1.739  -0.239   0.663  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -3.197   0.038   1.074  0.00  0.00    +0.103 C 
ATOM     14  N   LIG    1       -4.143  -0.057  -0.071  0.00  0.00    -0.296 NA
ATOM     15  C   LIG    1       -3.688   0.908  -1.106  0.00  0.00    +0.103 C 
ATOM     16  C   LIG    1       -2.230   0.681  -1.551  0.00  0.00    +0.123 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -5.544   0.186   0.374  0.00  0.00    +0.057 C 
ATOM     18  C   LIG    1       -6.085  -0.984   1.244  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -7.047  -1.900   0.495  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -8.279  -1.143   0.002  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -7.975   0.303  -0.383  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -6.518   0.474  -0.799  0.00  0.00    +0.019 C 
ENDBRANCH  14  17
ENDBRANCH   1  10
BRANCH   7  23
ATOM     23  C   LIG    1        4.476  -0.695   0.963  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.656   0.136   0.467  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1        6.903  -0.574   0.075  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        7.965   0.203  -0.384  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        9.170  -0.394  -0.774  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        9.312  -1.779  -0.701  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        8.255  -2.562  -0.237  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.811   1.665  -0.447  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1        8.719   2.387  -0.844  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        6.601   2.161  -0.029  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1        6.471   3.167  -0.069  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1        7.052  -1.965   0.152  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1        5.545   1.431   0.416  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   7  23
TORSDOF 4