REMARK VINA RESULT: -4.7 1.616 4.518 REMARK 9 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_7 REMARK 2 A between atoms: O_1 and C_11 REMARK 3 A between atoms: O_2 and C_13 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_6 REMARK 6 A between atoms: C_5 and C_7 REMARK 7 A between atoms: C_8 and C_11 REMARK 8 A between atoms: C_9 and C_16 REMARK 9 A between atoms: C_13 and C_14 ROOT ATOM 1 C UNL d 1 32.476 8.405 30.250 0.00 0.00 0.055 A ATOM 2 C UNL d 1 32.981 7.355 29.468 0.00 0.00 0.055 A ATOM 3 C UNL d 1 31.098 8.668 30.267 0.00 0.00 0.018 A ATOM 4 C UNL d 1 32.100 6.625 28.657 0.00 0.00 0.018 A ATOM 5 C UNL d 1 30.230 7.921 29.469 0.00 0.00 0.001 A ATOM 6 C UNL d 1 30.731 6.910 28.654 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 34.415 6.983 29.422 0.00 0.00 0.294 C ATOM 8 O UNL d 1 35.196 7.459 28.612 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 34.682 6.023 30.338 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 33.797 4.891 30.340 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 33.341 4.667 31.755 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 32.696 5.695 32.455 0.00 0.00 0.009 A ATOM 13 C UNL d 1 32.478 5.580 33.827 0.00 0.00 0.001 A ATOM 14 C UNL d 1 32.893 4.435 34.503 0.00 0.00 0.000 A ATOM 15 C UNL d 1 33.478 3.381 33.804 0.00 0.00 0.001 A ATOM 16 C UNL d 1 33.695 3.493 32.431 0.00 0.00 0.009 A ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 2 7 BRANCH 1 17 ATOM 17 C UNL d 1 33.342 9.346 31.000 0.00 0.00 0.294 C ATOM 18 O UNL d 1 33.751 10.399 30.549 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 33.694 8.749 32.158 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 34.965 9.092 32.729 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 35.825 7.832 32.734 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 35.756 7.128 34.091 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 37.112 7.022 34.763 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9