REMARK VINA RESULT: -6.1 1.479 2.450 REMARK 10 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_9 REMARK 2 A between atoms: O_1 and C_15 REMARK 3 A between atoms: O_2 and C_10 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_7 REMARK 6 A between atoms: C_5 and C_9 REMARK 7 A between atoms: C_6 and C_8 REMARK 8 A between atoms: C_6 and C_10 REMARK 9 A between atoms: C_11 and C_15 REMARK 10 A between atoms: C_12 and C_16 ROOT ATOM 1 C UNL d 1 -0.868 -1.625 4.371 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -2.006 -0.959 4.847 0.00 0.00 0.055 C ATOM 3 C UNL d 1 0.305 -1.629 5.148 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -1.900 -0.152 5.989 0.00 0.00 0.018 C ATOM 5 C UNL d 1 0.383 -0.873 6.318 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -0.703 -0.096 6.711 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -0.735 -2.173 2.998 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -1.229 -3.237 2.666 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 0.204 -1.468 2.319 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -0.053 -1.134 0.939 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -0.264 0.356 0.686 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -1.422 0.969 1.471 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -1.008 1.650 2.774 0.00 0.00 0.005 C ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 14 ATOM 14 C UNL d 1 -3.328 -1.063 4.201 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -3.931 -0.113 3.734 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -3.792 -2.335 4.320 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -4.704 -2.593 5.403 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -4.381 -3.893 6.139 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -2.953 -4.384 5.900 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -2.049 -4.090 7.090 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10