REMARK VINA RESULT: -5.9 1.767 4.071 REMARK 10 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_9 REMARK 2 A between atoms: O_1 and C_15 REMARK 3 A between atoms: O_2 and C_10 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_7 REMARK 6 A between atoms: C_5 and C_9 REMARK 7 A between atoms: C_6 and C_8 REMARK 8 A between atoms: C_6 and C_10 REMARK 9 A between atoms: C_11 and C_15 REMARK 10 A between atoms: C_12 and C_16 ROOT ATOM 1 C UNL d 1 33.413 76.729 105.709 0.00 0.00 0.055 C ATOM 2 C UNL d 1 34.309 76.872 104.640 0.00 0.00 0.055 C ATOM 3 C UNL d 1 33.889 76.839 107.028 0.00 0.00 0.018 C ATOM 4 C UNL d 1 35.685 76.932 104.903 0.00 0.00 0.018 C ATOM 5 C UNL d 1 35.256 76.963 107.281 0.00 0.00 0.001 C ATOM 6 C UNL d 1 36.157 76.958 106.219 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 32.010 76.265 105.566 0.00 0.00 0.294 C ATOM 8 O UNL d 1 31.076 77.036 105.426 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 31.934 74.949 105.883 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 32.397 73.982 104.917 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 33.258 72.870 105.508 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 34.574 73.350 106.115 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 34.685 73.139 107.624 0.00 0.00 0.005 C ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 14 ATOM 14 C UNL d 1 33.874 76.966 103.234 0.00 0.00 0.294 C ATOM 15 O UNL d 1 33.477 76.015 102.583 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 34.098 78.224 102.772 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 34.100 78.399 101.344 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 32.863 79.146 100.846 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 31.700 78.220 100.494 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 30.684 78.137 101.626 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10