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 23.004 -30.614 -0.416 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 20.989 -29.562 0.239 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 20.938 -33.506 -2.662 0.00 0.00 0.103 C ATOM 4 C UNL d 1 20.920 -31.473 -1.243 0.00 0.00 0.042 C ATOM 5 C UNL d 1 20.259 -32.422 -2.087 0.00 0.00 0.057 C ATOM 6 C UNL d 1 22.280 -33.668 -2.295 0.00 0.00 0.103 C ATOM 7 C UNL d 1 22.303 -31.534 -1.090 0.00 0.00 0.075 C ATOM 8 C UNL d 1 22.948 -32.647 -1.588 0.00 0.00 0.072 C ATOM 9 C UNL d 1 20.299 -30.496 -0.444 0.00 0.00 0.142 C ATOM 10 C UNL d 1 22.314 -29.638 0.186 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 20.304 -34.418 -3.491 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 18.873 -34.492 -3.341 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 18.058 -34.241 -4.625 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 17.618 -32.832 -5.078 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 18.313 -32.161 -6.199 0.00 0.00 0.092 N ATOM 16 C UNL d 1 19.411 -31.273 -5.757 0.00 0.00 0.298 C ATOM 17 C UNL d 1 18.930 -30.085 -4.910 0.00 0.00 0.198 C ATOM 18 O UNL d 1 17.982 -29.279 -5.623 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 16.882 -30.057 -6.113 0.00 0.00 0.198 C ATOM 20 C UNL d 1 17.364 -31.267 -6.940 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 23.102 -34.738 -2.528 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 24.396 -34.704 -1.949 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 18.915 -30.600 -0.203 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 18.687 -31.279 0.502 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 17.876 -30.199 -1.055 0.00 0.00 0.035 A ATOM 26 C UNL d 1 16.952 -31.117 -1.582 0.00 0.00 0.056 A ATOM 27 C UNL d 1 15.938 -30.698 -2.446 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 14.815 -31.852 -3.056 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 15.855 -29.362 -2.809 0.00 0.00 0.138 A ATOM 30 F UNL d 1 14.884 -28.932 -3.628 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 16.784 -28.442 -2.332 0.00 0.00 0.046 A ATOM 32 C UNL d 1 17.796 -28.861 -1.466 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8