REMARK VINA RESULT: -4.9 3.518 5.473 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 42.892 68.175 55.645 0.00 0.00 0.055 A ATOM 2 C UNL d 1 43.694 67.594 54.650 0.00 0.00 0.055 A ATOM 3 C UNL d 1 42.731 69.567 55.693 0.00 0.00 0.018 A ATOM 4 C UNL d 1 44.381 68.429 53.756 0.00 0.00 0.018 A ATOM 5 C UNL d 1 43.405 70.385 54.785 0.00 0.00 0.001 A ATOM 6 C UNL d 1 44.241 69.818 53.826 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 43.887 66.132 54.502 0.00 0.00 0.294 C ATOM 8 O UNL d 1 43.120 65.425 53.867 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 44.965 65.725 55.213 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 45.044 64.317 55.486 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 46.341 63.812 54.919 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 46.427 62.508 54.413 0.00 0.00 0.009 A ATOM 13 C UNL d 1 47.667 61.956 54.102 0.00 0.00 0.001 A ATOM 14 C UNL d 1 48.828 62.705 54.283 0.00 0.00 0.000 A ATOM 15 C UNL d 1 48.747 64.025 54.724 0.00 0.00 0.001 A ATOM 16 C UNL d 1 47.507 64.581 55.034 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 42.271 67.396 56.743 0.00 0.00 0.294 C ATOM 18 O UNL d 1 42.898 66.720 57.536 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 40.931 67.458 56.585 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 40.324 66.558 55.648 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 39.795 65.362 56.432 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 40.672 64.128 56.208 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 41.263 63.590 57.498 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9