REMARK VINA RESULT: -5.9 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 42.224 65.403 55.870 0.00 0.00 0.017 A ATOM 2 C UNL d 1 42.122 62.632 56.822 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 42.527 63.670 57.708 0.00 0.00 0.025 A ATOM 4 C UNL d 1 42.073 61.253 57.260 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 41.759 64.365 55.042 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 42.648 65.001 57.167 0.00 0.00 0.089 A ATOM 7 C UNL d 1 41.767 63.032 55.513 0.00 0.00 0.020 A ATOM 8 C UNL d 1 42.805 63.322 59.065 0.00 0.00 0.051 A ATOM 9 C UNL d 1 42.417 60.972 58.592 0.00 0.00 0.107 A ATOM 10 C UNL d 1 42.758 61.986 59.483 0.00 0.00 0.113 A ATOM 11 C UNL d 1 41.295 64.510 53.610 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 42.274 66.840 55.420 0.00 0.00 0.017 A ATOM 13 C UNL d 1 41.205 67.735 55.605 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 41.323 69.077 55.182 0.00 0.00 0.020 A ATOM 15 C UNL d 1 39.897 67.422 56.292 0.00 0.00 0.049 C ATOM 16 C UNL d 1 42.425 69.613 54.483 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 43.498 68.715 54.218 0.00 0.00 0.025 A ATOM 18 C UNL d 1 42.479 70.993 54.052 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 43.416 67.387 54.776 0.00 0.00 0.089 A ATOM 20 C UNL d 1 44.592 69.200 53.435 0.00 0.00 0.051 A ATOM 21 C UNL d 1 44.643 70.530 53.027 0.00 0.00 0.113 A ATOM 22 C UNL d 1 43.617 71.416 53.346 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 44.576 66.637 54.715 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 44.731 66.186 55.562 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 45.644 68.282 52.924 0.00 0.00 0.273 C ATOM 26 O UNL d 1 46.815 68.309 53.284 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 45.667 71.010 52.252 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 46.478 70.880 52.782 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 43.826 72.686 52.868 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 44.246 73.240 53.540 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 41.315 71.958 54.323 0.00 0.00 0.014 C ATOM 32 C UNL d 1 41.701 73.164 55.190 0.00 0.00 0.015 C ATOM 33 C UNL d 1 40.570 72.339 53.040 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 43.277 65.925 57.982 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 43.395 65.563 58.877 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 43.015 64.354 60.106 0.00 0.00 0.273 C ATOM 37 O UNL d 1 43.741 64.214 61.083 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 41.624 60.131 56.312 0.00 0.00 0.014 C ATOM 39 C UNL d 1 42.774 59.257 55.801 0.00 0.00 0.015 C ATOM 40 C UNL d 1 40.452 59.327 56.886 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 42.982 61.628 60.787 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 42.233 62.006 61.288 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 42.412 59.723 59.168 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 42.218 59.781 60.112 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11