REMARK  Name = BDB051880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.462   0.813   1.409  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.094   0.155   0.229  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.146   0.397  -0.374  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.043   1.312   0.186  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -0.684   1.970   1.367  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.553   1.723   1.967  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        2.708   0.640   2.045  0.00  0.00    -0.285 N 
ATOM      8  H   LIG    1        2.608   0.518   3.050  0.00  0.00    +0.155 HD
BRANCH   7  14
ATOM      9  C   LIG    1        7.473  -1.009  -0.967  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1        6.271  -0.286  -1.103  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1        5.441  -0.212   0.019  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        5.750  -0.798   1.241  0.00  0.00    +0.091 A 
ATOM     13  N   LIG    1        4.764  -0.556   2.165  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        3.845   0.132   1.529  0.00  0.00    +0.198 A 
ATOM     15  C   LIG    1        6.952  -1.506   1.375  0.00  0.00    +0.030 A 
ATOM     16  N   LIG    1        4.232   0.393   0.240  0.00  0.00    -0.326 N 
ATOM     17  H   LIG    1        3.710   0.960  -0.410  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1        7.804  -1.602   0.266  0.00  0.00    +0.014 A 
BRANCH   9  20
ATOM     19  F   LIG    1        9.335  -0.099  -2.154  0.00  0.00    -0.166 F 
ATOM     20  C   LIG    1        8.427  -1.112  -2.136  0.00  0.00    +0.417 C 
ATOM     21  F   LIG    1        9.150  -2.266  -2.138  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        7.796  -1.069  -3.344  0.00  0.00    -0.166 F 
ENDBRANCH   9  20
ENDBRANCH   7  14
ENDBRANCH   1   7
BRANCH   4  23
ATOM     23  C   LIG    1       -2.388   1.559  -0.449  0.00  0.00    +0.054 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.481   0.661   0.143  0.00  0.00    +0.107 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.752   0.931  -0.521  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -4.721   0.936  -1.536  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -5.842   0.191  -0.055  0.00  0.00    +0.136 A 
ATOM     28  C   LIG    1       -6.967  -0.061  -0.855  0.00  0.00    +0.077 A 
ATOM     29  C   LIG    1       -8.027  -0.794  -0.330  0.00  0.00    +0.083 A 
ATOM     30  C   LIG    1       -9.086  -0.961  -1.271  0.00  0.00    +0.036 A 
ATOM     31  C   LIG    1       -8.816  -0.360  -2.479  0.00  0.00    +0.048 A 
ATOM     32  N   LIG    1       -8.028  -1.282   0.933  0.00  0.00    -0.235 NA
ATOM     33  C   LIG    1       -6.922  -0.992   1.623  0.00  0.00    +0.223 A 
ATOM     34  S   LIG    1       -7.287   0.404  -2.484  0.00  0.00    -0.092 S 
ATOM     35  N   LIG    1       -5.852  -0.299   1.204  0.00  0.00    -0.220 NA
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7