REMARK VINA RESULT: -5.2 0.000 0.000 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 39.960 -39.602 -43.120 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 37.606 -39.366 -43.163 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 40.378 -37.556 -46.770 0.00 0.00 0.103 C ATOM 4 C UNL d 1 38.942 -38.405 -44.936 0.00 0.00 0.042 C ATOM 5 C UNL d 1 39.133 -37.640 -46.131 0.00 0.00 0.057 C ATOM 6 C UNL d 1 41.410 -38.336 -46.230 0.00 0.00 0.103 C ATOM 7 C UNL d 1 40.042 -38.976 -44.300 0.00 0.00 0.075 C ATOM 8 C UNL d 1 41.244 -38.960 -44.977 0.00 0.00 0.072 C ATOM 9 C UNL d 1 37.707 -38.738 -44.350 0.00 0.00 0.142 C ATOM 10 C UNL d 1 38.742 -39.731 -42.579 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 40.570 -36.805 -47.919 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 39.364 -36.408 -48.600 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 39.214 -34.895 -48.856 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 38.319 -33.983 -47.989 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 38.926 -32.920 -47.157 0.00 0.00 0.092 N ATOM 16 C UNL d 1 39.135 -33.327 -45.751 0.00 0.00 0.298 C ATOM 17 C UNL d 1 37.826 -33.623 -45.002 0.00 0.00 0.198 C ATOM 18 O UNL d 1 36.952 -32.487 -44.998 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 36.703 -32.001 -46.324 0.00 0.00 0.198 C ATOM 20 C UNL d 1 38.016 -31.730 -47.087 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 42.640 -38.608 -46.769 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 42.732 -39.711 -47.655 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 36.532 -38.570 -45.108 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 36.370 -39.320 -45.757 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 35.838 -37.373 -45.338 0.00 0.00 0.035 A ATOM 26 C UNL d 1 35.722 -36.818 -46.624 0.00 0.00 0.056 A ATOM 27 C UNL d 1 35.046 -35.613 -46.827 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 34.910 -34.977 -48.421 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 34.500 -34.942 -45.743 0.00 0.00 0.138 A ATOM 30 F UNL d 1 33.836 -33.790 -45.912 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 34.639 -35.452 -44.455 0.00 0.00 0.046 A ATOM 32 C UNL d 1 35.314 -36.657 -44.253 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8