REMARK  Name = BDB054874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.638  -0.862   0.340  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.716  -0.657  -0.698  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.519  -1.325  -0.715  0.00  0.00    -0.029 A 
ATOM      4  C   LIG    1        0.830  -2.199   0.334  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.079  -2.405   1.369  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.308  -1.740   1.372  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.914  -0.197   1.149  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1       -2.858  -0.156   0.261  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -2.962   0.440  -0.554  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -3.968  -0.830   2.196  0.00  0.00    -0.270 OA
BRANCH   7  18
ATOM     11  C   LIG    1       -5.263   0.366  -1.834  0.00  0.00    +0.167 A 
ATOM     12  C   LIG    1       -5.549   0.826  -0.518  0.00  0.00    +0.075 A 
ATOM     13  C   LIG    1       -6.633   1.670  -0.711  0.00  0.00    +0.170 A 
ATOM     14  C   LIG    1       -7.309   2.348   0.302  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -6.848   2.143   1.603  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -5.755   1.310   1.851  0.00  0.00    +0.014 A 
ATOM     17  O   LIG    1       -6.934   1.731  -2.034  0.00  0.00    -0.353 OA
ATOM     18  C   LIG    1       -5.078   0.654   0.800  0.00  0.00    +0.051 A 
ATOM     19  N   LIG    1       -6.068   0.920  -2.741  0.00  0.00    -0.062 NA
BRANCH  11  20
ATOM     20  N   LIG    1       -4.293  -0.519  -2.150  0.00  0.00    -0.340 N 
ATOM     21  H   LIG    1       -4.063  -1.250  -1.478  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1       -4.372  -0.912  -3.087  0.00  0.00    +0.144 HD
ENDBRANCH  11  20
ENDBRANCH   7  18
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1        1.514  -1.080  -1.821  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.533  -0.140  -1.403  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1        2.192   0.709  -0.980  0.00  0.00    +0.151 HD
ATOM     26  C   LIG    1        3.757  -0.588  -0.946  0.00  0.00    +0.304 C 
ATOM     27  N   LIG    1        4.537   0.472  -0.535  0.00  0.00    -0.269 N 
ATOM     28  H   LIG    1        4.200   1.384  -0.803  0.00  0.00    +0.156 HD
ATOM     29  O   LIG    1        4.070  -1.770  -0.944  0.00  0.00    -0.252 OA
BRANCH  27  30
ATOM     30  C   LIG    1        5.814   0.422   0.060  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1        6.473   1.638   0.267  0.00  0.00    +0.061 A 
ATOM     32  C   LIG    1        7.734   1.655   0.858  0.00  0.00    +0.125 A 
ATOM     33  F   LIG    1        8.353   2.828   1.048  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1        8.358   0.480   1.253  0.00  0.00    +0.038 A 
ATOM     35  C   LIG    1        7.708  -0.734   1.056  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1        6.439  -0.762   0.463  0.00  0.00    +0.023 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6