REMARK VINA RESULT: -5.5 3.031 4.177 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 43.270 66.102 55.558 0.00 0.00 0.017 A ATOM 2 C UNL d 1 45.440 64.204 56.090 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 44.452 64.446 57.085 0.00 0.00 0.025 A ATOM 4 C UNL d 1 46.531 63.282 56.328 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 44.221 65.786 54.570 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 43.459 65.455 56.810 0.00 0.00 0.089 A ATOM 7 C UNL d 1 45.284 64.905 54.872 0.00 0.00 0.020 A ATOM 8 C UNL d 1 44.521 63.690 58.295 0.00 0.00 0.051 A ATOM 9 C UNL d 1 46.572 62.615 57.564 0.00 0.00 0.107 A ATOM 10 C UNL d 1 45.578 62.800 58.521 0.00 0.00 0.113 A ATOM 11 C UNL d 1 44.279 66.367 53.174 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 42.133 67.059 55.314 0.00 0.00 0.017 A ATOM 13 C UNL d 1 40.848 66.635 54.931 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 39.817 67.581 54.741 0.00 0.00 0.020 A ATOM 15 C UNL d 1 40.407 65.203 54.746 0.00 0.00 0.049 C ATOM 16 C UNL d 1 39.976 68.981 54.817 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 41.284 69.448 55.135 0.00 0.00 0.025 A ATOM 18 C UNL d 1 38.886 69.904 54.587 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 42.288 68.464 55.459 0.00 0.00 0.089 A ATOM 20 C UNL d 1 41.502 70.861 55.134 0.00 0.00 0.051 A ATOM 21 C UNL d 1 40.450 71.746 54.917 0.00 0.00 0.113 A ATOM 22 C UNL d 1 39.162 71.278 54.669 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 43.458 68.958 56.004 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 43.765 68.380 56.723 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 42.871 71.432 55.236 0.00 0.00 0.273 C ATOM 26 O UNL d 1 43.289 72.049 56.208 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 40.641 73.104 54.883 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 40.043 73.467 55.566 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 38.245 72.283 54.480 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 37.422 71.931 54.113 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 37.480 69.402 54.227 0.00 0.00 0.014 C ATOM 32 C UNL d 1 37.282 69.138 52.730 0.00 0.00 0.015 C ATOM 33 C UNL d 1 37.038 68.237 55.119 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 42.677 65.836 57.886 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 42.122 66.598 57.649 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 43.422 63.709 59.289 0.00 0.00 0.273 C ATOM 37 O UNL d 1 43.533 64.123 60.436 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 47.592 63.006 55.253 0.00 0.00 0.014 C ATOM 39 C UNL d 1 47.065 62.205 54.057 0.00 0.00 0.015 C ATOM 40 C UNL d 1 48.349 64.276 54.852 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 45.648 62.034 59.656 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 44.730 61.984 59.988 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 47.528 61.703 57.943 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 48.381 62.135 58.080 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11