REMARK VINA RESULT: -4.5 3.102 5.596 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 16.999 -29.031 -3.562 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 17.721 -28.837 -1.317 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 17.220 -33.228 -3.426 0.00 0.00 0.103 C ATOM 4 C UNL d 1 17.430 -31.028 -2.301 0.00 0.00 0.042 C ATOM 5 C UNL d 1 17.409 -32.460 -2.269 0.00 0.00 0.057 C ATOM 6 C UNL d 1 17.142 -32.524 -4.636 0.00 0.00 0.103 C ATOM 7 C UNL d 1 17.117 -30.362 -3.483 0.00 0.00 0.075 C ATOM 8 C UNL d 1 17.015 -31.120 -4.630 0.00 0.00 0.072 C ATOM 9 C UNL d 1 17.834 -30.178 -1.255 0.00 0.00 0.142 C ATOM 10 C UNL d 1 17.266 -28.326 -2.456 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 17.184 -34.613 -3.396 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 17.771 -35.215 -2.226 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 19.291 -35.466 -2.302 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 20.040 -35.682 -3.635 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 20.433 -34.519 -4.463 0.00 0.00 0.092 N ATOM 16 C UNL d 1 21.316 -34.879 -5.592 0.00 0.00 0.298 C ATOM 17 C UNL d 1 22.676 -35.439 -5.148 0.00 0.00 0.198 C ATOM 18 O UNL d 1 23.386 -34.506 -4.323 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 22.600 -34.078 -3.202 0.00 0.00 0.198 C ATOM 20 C UNL d 1 21.223 -33.541 -3.646 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 17.176 -33.022 -5.911 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 18.332 -32.750 -6.685 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 18.546 -30.730 -0.173 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 18.177 -30.457 0.722 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 19.853 -31.237 -0.190 0.00 0.00 0.035 A ATOM 26 C UNL d 1 20.141 -32.562 0.179 0.00 0.00 0.056 A ATOM 27 C UNL d 1 21.453 -33.039 0.177 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 21.760 -34.674 0.619 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 22.491 -32.188 -0.173 0.00 0.00 0.138 A ATOM 30 F UNL d 1 23.759 -32.625 -0.195 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 22.234 -30.861 -0.502 0.00 0.00 0.046 A ATOM 32 C UNL d 1 20.922 -30.385 -0.501 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8