REMARK VINA RESULT: -4.9 1.414 4.063 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 43.184 63.626 59.545 0.00 0.00 0.055 A ATOM 2 C UNL d 1 42.795 63.804 58.208 0.00 0.00 0.055 A ATOM 3 C UNL d 1 42.279 63.091 60.473 0.00 0.00 0.018 A ATOM 4 C UNL d 1 41.476 63.505 57.836 0.00 0.00 0.018 A ATOM 5 C UNL d 1 40.975 62.780 60.086 0.00 0.00 0.001 A ATOM 6 C UNL d 1 40.568 63.001 58.772 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 43.698 64.324 57.154 0.00 0.00 0.294 C ATOM 8 O UNL d 1 43.591 65.449 56.688 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 44.571 63.366 56.766 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 44.609 63.080 55.359 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 46.038 63.191 54.906 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 46.695 62.073 54.376 0.00 0.00 0.009 A ATOM 13 C UNL d 1 48.073 62.101 54.171 0.00 0.00 0.001 A ATOM 14 C UNL d 1 48.800 63.248 54.482 0.00 0.00 0.000 A ATOM 15 C UNL d 1 48.145 64.386 54.949 0.00 0.00 0.001 A ATOM 16 C UNL d 1 46.766 64.362 55.153 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 44.492 64.077 60.075 0.00 0.00 0.294 C ATOM 18 O UNL d 1 45.101 65.041 59.653 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 44.918 63.151 60.962 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 45.704 62.059 60.464 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 47.172 62.455 60.581 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 47.966 61.393 61.346 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 47.578 61.318 62.811 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9