REMARK VINA RESULT: -4.6 0.000 0.000 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 38.494 -38.772 -44.266 0.00 0.00 0.055 A ATOM 2 C UNL d 1 37.923 -37.891 -45.197 0.00 0.00 0.055 A ATOM 3 C UNL d 1 39.884 -38.958 -44.235 0.00 0.00 0.018 A ATOM 4 C UNL d 1 38.754 -37.258 -46.134 0.00 0.00 0.018 A ATOM 5 C UNL d 1 40.701 -38.307 -45.160 0.00 0.00 0.001 A ATOM 6 C UNL d 1 40.136 -37.469 -46.119 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 36.471 -37.606 -45.273 0.00 0.00 0.294 C ATOM 8 O UNL d 1 35.735 -38.138 -46.091 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 36.130 -36.653 -44.375 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 35.425 -35.516 -44.899 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 36.445 -34.557 -45.448 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 36.526 -34.334 -46.829 0.00 0.00 0.009 A ATOM 13 C UNL d 1 37.606 -33.634 -47.364 0.00 0.00 0.001 A ATOM 14 C UNL d 1 38.603 -33.144 -46.523 0.00 0.00 0.000 A ATOM 15 C UNL d 1 38.497 -33.306 -45.143 0.00 0.00 0.001 A ATOM 16 C UNL d 1 37.417 -34.004 -44.605 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 37.690 -39.623 -43.356 0.00 0.00 0.294 C ATOM 18 O UNL d 1 37.103 -39.204 -42.377 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 37.870 -40.908 -43.727 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 37.098 -41.400 -44.832 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 38.048 -42.146 -45.764 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 38.515 -41.243 -46.908 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 40.011 -41.327 -47.144 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9