REMARK VINA RESULT: -8.0 2.444 3.301 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 -14.804 19.968 -25.477 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -16.633 19.086 -24.264 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -17.332 21.475 -28.480 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -17.029 20.311 -26.312 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -17.861 20.913 -27.310 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -15.950 21.337 -28.670 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -15.644 20.400 -26.426 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -15.135 20.878 -27.615 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -17.464 19.527 -25.228 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -15.343 19.365 -24.411 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -18.134 22.071 -29.441 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -19.001 21.173 -30.159 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -19.073 21.399 -31.683 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -19.710 22.654 -32.316 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -20.732 23.424 -31.572 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -22.002 23.579 -32.314 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -21.856 24.393 -33.609 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -21.343 25.707 -33.350 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -20.115 25.665 -32.611 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -20.253 24.824 -31.325 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 -15.218 21.593 -29.798 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -15.348 20.684 -30.878 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -18.783 19.034 -25.237 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -18.929 18.308 -25.917 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -19.928 19.671 -24.737 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -21.214 19.134 -24.915 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -22.342 19.798 -24.428 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -23.899 19.096 -24.652 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -22.196 21.015 -23.780 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -23.262 21.666 -23.293 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -20.936 21.586 -23.629 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -19.808 20.921 -24.114 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8