REMARK  Name = BDB055714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.201  -0.855   0.770  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.559  -2.112   0.282  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.809  -2.364  -0.139  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.369  -3.149   0.219  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.681  -2.936   0.641  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.079  -1.679   1.117  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.124  -0.650   1.193  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.773   1.385   1.237  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.158   0.282   0.861  0.00  0.00    +0.247 C 
ATOM     10  N   LIG    1       -2.467   0.048   0.505  0.00  0.00    -0.304 N 
ATOM     11  H   LIG    1       -2.729  -0.856   0.124  0.00  0.00    +0.150 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -3.443   1.118   0.492  0.00  0.00    +0.112 C 
ATOM     13  C   LIG    1       -4.838   0.575   0.403  0.00  0.00    -0.016 A 
ATOM     14  C   LIG    1       -5.505   1.019  -0.731  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -6.804   0.651  -1.034  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -7.454  -0.204  -0.145  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -6.799  -0.663   1.011  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.614   1.893  -1.478  0.00  0.00    +0.166 C 
ATOM     19  O   LIG    1       -4.915   2.428  -2.531  0.00  0.00    -0.292 OA
ATOM     20  C   LIG    1       -5.484  -0.274   1.291  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -3.301   2.027  -0.750  0.00  0.00    +0.106 C 
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1        3.500  -1.468   1.597  0.00  0.00    +0.093 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.122  -0.154   1.142  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1        4.571   0.012  -0.265  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        5.116   1.245  -0.616  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1        5.561   1.484  -1.922  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        5.459   0.479  -2.883  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.918  -0.758  -2.538  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        5.225   2.300   0.405  0.00  0.00    +0.272 A 
ATOM     30  O   LIG    1        5.704   3.398   0.141  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1        4.768   1.977   1.658  0.00  0.00    -0.242 N 
ATOM     32  H   LIG    1        4.825   2.696   2.373  0.00  0.00    +0.192 HD
ATOM     33  C   LIG    1        4.475  -0.996  -1.232  0.00  0.00    +0.010 A 
ATOM     34  N   LIG    1        4.226   0.788   2.033  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4