REMARK VINA RESULT: -4.3 3.498 5.336 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_21 REMARK 2 A between atoms: O_2 and C_22 REMARK 3 A between atoms: O_3 and C_27 REMARK 4 A between atoms: O_4 and C_28 REMARK 5 A between atoms: O_5 and C_29 REMARK 6 A between atoms: O_6 and C_30 REMARK 7 A between atoms: C_9 and C_10 REMARK 8 A between atoms: C_15 and C_19 REMARK 9 A between atoms: C_16 and C_20 REMARK 10 A between atoms: C_25 and C_37 REMARK 11 A between atoms: C_26 and C_38 ROOT ATOM 1 C UNL d 1 39.002 -37.368 -48.254 0.00 0.00 0.017 A ATOM 2 C UNL d 1 39.257 -34.479 -48.684 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 37.966 -35.075 -48.632 0.00 0.00 0.025 A ATOM 4 C UNL d 1 39.416 -33.057 -48.908 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 40.259 -36.737 -48.239 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 37.896 -36.511 -48.510 0.00 0.00 0.089 A ATOM 7 C UNL d 1 40.355 -35.351 -48.498 0.00 0.00 0.020 A ATOM 8 C UNL d 1 36.828 -34.217 -48.724 0.00 0.00 0.051 A ATOM 9 C UNL d 1 38.255 -32.280 -49.050 0.00 0.00 0.107 A ATOM 10 C UNL d 1 36.986 -32.843 -48.941 0.00 0.00 0.113 A ATOM 11 C UNL d 1 41.594 -37.420 -48.037 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 38.832 -38.846 -48.019 0.00 0.00 0.017 A ATOM 13 C UNL d 1 38.951 -39.800 -49.046 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 38.804 -41.174 -48.757 0.00 0.00 0.020 A ATOM 15 C UNL d 1 39.292 -39.511 -50.488 0.00 0.00 0.049 C ATOM 16 C UNL d 1 38.449 -41.706 -47.499 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 38.253 -40.760 -46.451 0.00 0.00 0.025 A ATOM 18 C UNL d 1 38.288 -43.125 -47.268 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 38.540 -39.375 -46.734 0.00 0.00 0.089 A ATOM 20 C UNL d 1 37.807 -41.256 -45.186 0.00 0.00 0.051 A ATOM 21 C UNL d 1 37.658 -42.622 -44.967 0.00 0.00 0.113 A ATOM 22 C UNL d 1 37.913 -43.541 -45.981 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 38.584 -38.535 -45.636 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 37.881 -38.767 -45.007 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 37.366 -40.333 -44.107 0.00 0.00 0.273 C ATOM 26 O UNL d 1 37.989 -40.139 -43.070 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 37.204 -43.118 -43.771 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 36.669 -43.903 -44.002 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 37.719 -44.845 -45.596 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 37.623 -45.420 -46.368 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 38.483 -44.143 -48.402 0.00 0.00 0.014 C ATOM 32 C UNL d 1 39.675 -45.084 -48.188 0.00 0.00 0.015 C ATOM 33 C UNL d 1 37.182 -44.871 -48.754 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 36.647 -37.070 -48.712 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 36.676 -38.029 -48.557 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 35.456 -34.711 -48.459 0.00 0.00 0.273 C ATOM 37 O UNL d 1 34.556 -34.735 -49.289 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 40.806 -32.407 -48.952 0.00 0.00 0.014 C ATOM 39 C UNL d 1 41.145 -31.767 -50.303 0.00 0.00 0.015 C ATOM 40 C UNL d 1 41.045 -31.479 -47.757 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 35.913 -31.991 -48.995 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 35.551 -32.094 -49.896 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 38.229 -30.920 -49.254 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 37.968 -30.713 -50.161 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11