REMARK  Name = BDB054492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.455  -0.141  -0.404  0.00  0.00    -0.338 N 
ATOM      2  C   LIG    1       -1.367  -1.192  -0.462  0.00  0.00    +0.080 A 
ATOM      3  C   LIG    1       -2.629  -0.591  -0.591  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -3.777  -1.392  -0.672  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -3.597  -2.754  -0.620  0.00  0.00    +0.112 A 
ATOM      6  N   LIG    1       -2.398  -3.345  -0.499  0.00  0.00    -0.249 NA
ATOM      7  C   LIG    1       -2.460   0.826  -0.615  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -3.359   1.909  -0.725  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -2.872   3.219  -0.714  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -1.512   3.451  -0.595  0.00  0.00    +0.119 A 
ATOM     11  C   LIG    1       -0.596   2.404  -0.484  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1       -1.235  -2.607  -0.413  0.00  0.00    +0.168 A 
ATOM     13  C   LIG    1       -1.098   1.087  -0.498  0.00  0.00    +0.054 A 
ENDROOT
BRANCH  12  14
ATOM     14  C   LIG    1        0.061  -3.390  -0.299  0.00  0.00    +0.436 C 
ATOM     15  F   LIG    1        0.857  -3.256  -1.401  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1        0.832  -2.996   0.758  0.00  0.00    -0.164 F 
ATOM     17  F   LIG    1       -0.104  -4.735  -0.135  0.00  0.00    -0.164 F 
ENDBRANCH  12  14
BRANCH  10  18
ATOM     18  O   LIG    1       -1.096   4.751  -0.589  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -0.128   4.770  -0.513  0.00  0.00    +0.292 HD
ENDBRANCH  10  18
BRANCH   1  20
ATOM     20  C   LIG    1        0.995  -0.236  -0.257  0.00  0.00    +0.122 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.434  -0.106   1.202  0.00  0.00    +0.023 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.924  -0.394   1.410  0.00  0.00    +0.017 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.831   0.630   0.729  0.00  0.00    +0.078 C 
BRANCH  23  24
ATOM     24  N   LIG    1        5.234   0.363   1.018  0.00  0.00    -0.330 NA
ATOM     25  H   LIG    1        5.476  -0.582   0.721  0.00  0.00    +0.118 HD
ATOM     26  H   LIG    1        5.390   0.384   2.026  0.00  0.00    +0.118 HD
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 7