REMARK VINA RESULT: -8.3 1.983 3.311 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 1.483 -5.611 5.044 0.00 0.00 0.055 A ATOM 2 C UNL d 1 0.227 -5.912 5.594 0.00 0.00 0.055 A ATOM 3 C UNL d 1 2.554 -6.501 5.209 0.00 0.00 0.018 A ATOM 4 C UNL d 1 0.083 -7.075 6.365 0.00 0.00 0.018 A ATOM 5 C UNL d 1 2.392 -7.664 5.963 0.00 0.00 0.001 A ATOM 6 C UNL d 1 1.162 -7.945 6.553 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -0.967 -5.049 5.434 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -1.366 -4.669 4.343 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -1.472 -4.715 6.644 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -2.815 -4.206 6.646 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -3.588 -4.954 7.697 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -3.453 -6.344 7.811 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -4.328 -7.070 8.617 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -5.333 -6.412 9.322 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -5.434 -5.023 9.265 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -4.559 -4.294 8.461 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 1.784 -4.326 4.368 0.00 0.00 0.294 C ATOM 18 O UNL d 1 2.134 -4.235 3.207 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 1.750 -3.351 5.302 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 1.114 -2.113 4.954 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 0.441 -1.570 6.211 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -0.827 -0.790 5.858 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -1.967 -1.062 6.823 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9