REMARK VINA RESULT: -4.9 0.000 0.000 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 36.233 -35.301 -47.269 0.00 0.00 0.017 A ATOM 2 C UNL d 1 33.859 -33.749 -48.009 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 34.202 -34.913 -48.751 0.00 0.00 0.025 A ATOM 4 C UNL d 1 32.699 -32.954 -48.357 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 35.826 -34.188 -46.512 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 35.428 -35.589 -48.406 0.00 0.00 0.089 A ATOM 7 C UNL d 1 34.705 -33.430 -46.921 0.00 0.00 0.020 A ATOM 8 C UNL d 1 33.322 -35.322 -49.800 0.00 0.00 0.051 A ATOM 9 C UNL d 1 31.910 -33.380 -49.438 0.00 0.00 0.107 A ATOM 10 C UNL d 1 32.203 -34.550 -50.134 0.00 0.00 0.113 A ATOM 11 C UNL d 1 36.527 -33.640 -45.289 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 37.437 -36.132 -46.910 0.00 0.00 0.017 A ATOM 13 C UNL d 1 38.659 -36.044 -47.601 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 39.759 -36.833 -47.199 0.00 0.00 0.020 A ATOM 15 C UNL d 1 38.961 -35.111 -48.749 0.00 0.00 0.049 C ATOM 16 C UNL d 1 39.728 -37.809 -46.180 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 38.485 -37.972 -45.505 0.00 0.00 0.025 A ATOM 18 C UNL d 1 40.883 -38.606 -45.829 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 37.415 -37.064 -45.838 0.00 0.00 0.089 A ATOM 20 C UNL d 1 38.393 -39.012 -44.527 0.00 0.00 0.051 A ATOM 21 C UNL d 1 39.507 -39.774 -44.189 0.00 0.00 0.113 A ATOM 22 C UNL d 1 40.735 -39.562 -44.812 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 36.322 -37.088 -44.992 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 35.500 -36.989 -45.501 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 37.087 -39.401 -43.934 0.00 0.00 0.273 C ATOM 26 O UNL d 1 36.795 -39.251 -42.753 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 39.436 -40.795 -43.275 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 40.355 -41.107 -43.163 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 41.726 -40.397 -44.359 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 42.410 -39.896 -43.894 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 42.219 -38.442 -46.568 0.00 0.00 0.014 C ATOM 32 C UNL d 1 43.386 -38.043 -45.656 0.00 0.00 0.015 C ATOM 33 C UNL d 1 42.530 -39.639 -47.473 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 35.852 -36.557 -49.300 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 36.786 -36.420 -49.530 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 33.473 -36.630 -50.477 0.00 0.00 0.273 C ATOM 37 O UNL d 1 34.039 -36.793 -51.551 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 32.317 -31.705 -47.550 0.00 0.00 0.014 C ATOM 39 C UNL d 1 31.305 -31.979 -46.432 0.00 0.00 0.015 C ATOM 40 C UNL d 1 33.548 -30.921 -47.083 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 31.321 -34.938 -51.109 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 31.145 -35.883 -50.932 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 30.774 -32.750 -49.889 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 30.871 -31.790 -49.840 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11