REMARK VINA RESULT: -4.9 2.895 5.044 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 42.590 67.337 55.758 0.00 0.00 0.055 A ATOM 2 C UNL d 1 43.573 67.233 54.763 0.00 0.00 0.055 A ATOM 3 C UNL d 1 42.083 68.595 56.116 0.00 0.00 0.018 A ATOM 4 C UNL d 1 44.086 68.405 54.187 0.00 0.00 0.018 A ATOM 5 C UNL d 1 42.588 69.752 55.521 0.00 0.00 0.001 A ATOM 6 C UNL d 1 43.599 69.659 54.568 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 44.135 65.943 54.296 0.00 0.00 0.294 C ATOM 8 O UNL d 1 43.568 65.233 53.480 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 45.288 65.668 54.949 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 45.389 64.354 55.521 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 46.555 63.660 54.874 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 46.411 62.355 54.384 0.00 0.00 0.009 A ATOM 13 C UNL d 1 47.532 61.624 53.996 0.00 0.00 0.001 A ATOM 14 C UNL d 1 48.800 62.195 54.084 0.00 0.00 0.000 A ATOM 15 C UNL d 1 48.946 63.514 54.509 0.00 0.00 0.001 A ATOM 16 C UNL d 1 47.826 64.248 54.896 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 42.113 66.179 56.551 0.00 0.00 0.294 C ATOM 18 O UNL d 1 41.079 65.581 56.326 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 42.937 66.039 57.613 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 42.858 64.820 58.365 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 44.239 64.551 58.955 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 44.157 63.535 60.097 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 43.092 63.889 61.118 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9