REMARK VINA RESULT: -5.4 3.051 6.331 REMARK 8 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_4 and C_16 REMARK 2 A between atoms: O_4 and C_17 REMARK 3 A between atoms: O_5 and C_20 REMARK 4 A between atoms: N_6 and C_10 REMARK 5 A between atoms: N_7 and C_23 REMARK 6 A between atoms: N_7 and C_24 REMARK 7 A between atoms: C_10 and C_13 REMARK 8 A between atoms: C_13 and C_16 ROOT ATOM 1 N UNL d 1 11.257 39.980 27.973 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 12.560 39.170 26.172 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 11.377 43.911 26.486 0.00 0.00 0.103 C ATOM 4 C UNL d 1 11.949 41.510 26.256 0.00 0.00 0.042 C ATOM 5 C UNL d 1 11.894 42.843 25.739 0.00 0.00 0.057 C ATOM 6 C UNL d 1 10.999 43.625 27.804 0.00 0.00 0.103 C ATOM 7 C UNL d 1 11.351 41.221 27.481 0.00 0.00 0.075 C ATOM 8 C UNL d 1 10.921 42.287 28.243 0.00 0.00 0.072 C ATOM 9 C UNL d 1 12.645 40.426 25.691 0.00 0.00 0.142 C ATOM 10 C UNL d 1 11.832 38.997 27.270 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 11.309 45.201 25.982 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 12.223 45.487 24.906 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 13.538 46.177 25.321 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 14.296 47.159 24.402 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 13.788 47.447 23.042 0.00 0.00 0.092 N ATOM 16 C UNL d 1 14.588 46.811 21.973 0.00 0.00 0.298 C ATOM 17 C UNL d 1 16.032 47.332 21.901 0.00 0.00 0.198 C ATOM 18 O UNL d 1 16.070 48.749 21.686 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 15.301 49.460 22.666 0.00 0.00 0.198 C ATOM 20 C UNL d 1 13.860 48.918 22.759 0.00 0.00 0.298 C ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 3 11 BRANCH 6 21 ATOM 21 O UNL d 1 10.674 44.502 28.805 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 11.743 45.104 29.515 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 13.604 40.685 24.693 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 13.804 39.883 24.120 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 14.541 41.728 24.670 0.00 0.00 0.035 A ATOM 26 C UNL d 1 15.310 42.060 25.799 0.00 0.00 0.056 A ATOM 27 C UNL d 1 16.221 43.117 25.760 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 17.157 43.480 27.159 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 16.354 43.866 24.600 0.00 0.00 0.138 A ATOM 30 F UNL d 1 17.230 44.879 24.533 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 15.573 43.582 23.484 0.00 0.00 0.046 A ATOM 32 C UNL d 1 14.664 42.523 23.522 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8