REMARK VINA RESULT: -7.2 2.063 6.236 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 -4.271 -3.722 -1.316 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -2.927 -3.659 -0.918 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -4.772 -4.887 -1.916 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -2.083 -4.746 -1.192 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -3.926 -5.969 -2.165 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -2.579 -5.894 -1.817 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -2.326 -2.484 -0.243 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -1.682 -1.636 -0.841 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -2.542 -2.547 1.092 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -3.494 -1.609 1.620 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -3.967 -2.133 2.947 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -5.243 -2.699 3.063 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -5.777 -2.973 4.321 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -5.036 -2.696 5.467 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -3.741 -2.193 5.359 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -3.204 -1.919 4.102 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 -5.196 -2.566 -1.236 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -4.988 -1.492 -1.767 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -6.178 -2.884 -0.365 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -7.389 -2.117 -0.414 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -7.511 -1.362 0.906 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -6.766 -0.027 0.844 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -6.516 0.566 2.218 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9