REMARK VINA RESULT: -5.9 0.143 9.380 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 42.239 66.829 55.426 0.00 0.00 0.017 A ATOM 2 C UNL d 1 42.433 69.614 54.531 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 43.491 68.706 54.249 0.00 0.00 0.025 A ATOM 4 C UNL d 1 42.505 70.999 54.113 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 41.180 67.734 55.624 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 43.389 67.372 54.790 0.00 0.00 0.089 A ATOM 7 C UNL d 1 41.322 69.083 55.225 0.00 0.00 0.020 A ATOM 8 C UNL d 1 44.591 69.179 53.470 0.00 0.00 0.051 A ATOM 9 C UNL d 1 43.643 71.413 53.402 0.00 0.00 0.107 A ATOM 10 C UNL d 1 44.657 70.519 53.069 0.00 0.00 0.113 A ATOM 11 C UNL d 1 39.868 67.429 56.314 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 42.167 65.388 55.857 0.00 0.00 0.017 A ATOM 13 C UNL d 1 41.653 64.370 55.033 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 41.636 63.033 55.487 0.00 0.00 0.020 A ATOM 15 C UNL d 1 41.144 64.545 53.623 0.00 0.00 0.049 C ATOM 16 C UNL d 1 42.022 62.608 56.776 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 42.482 63.625 57.660 0.00 0.00 0.025 A ATOM 18 C UNL d 1 41.958 61.224 57.193 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 42.621 64.961 57.134 0.00 0.00 0.089 A ATOM 20 C UNL d 1 42.798 63.244 59.002 0.00 0.00 0.051 A ATOM 21 C UNL d 1 42.740 61.911 59.398 0.00 0.00 0.113 A ATOM 22 C UNL d 1 42.348 60.916 58.506 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 43.304 65.855 57.937 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 43.997 65.394 58.439 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 43.073 64.263 60.050 0.00 0.00 0.273 C ATOM 26 O UNL d 1 44.143 64.375 60.636 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 43.010 61.526 60.687 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 42.867 62.325 61.232 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 42.348 59.659 59.058 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 41.470 59.257 58.995 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 41.445 60.129 56.245 0.00 0.00 0.014 C ATOM 32 C UNL d 1 42.556 59.254 55.653 0.00 0.00 0.015 C ATOM 33 C UNL d 1 40.294 59.326 56.860 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 44.537 66.603 54.710 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 45.325 67.155 54.850 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 45.624 68.259 52.942 0.00 0.00 0.273 C ATOM 37 O UNL d 1 46.804 68.280 53.270 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 41.360 71.980 54.402 0.00 0.00 0.014 C ATOM 39 C UNL d 1 41.784 73.197 55.231 0.00 0.00 0.015 C ATOM 40 C UNL d 1 40.580 72.344 53.135 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 45.681 70.991 52.289 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 45.251 71.309 51.471 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 43.862 72.684 52.924 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 44.478 73.164 53.493 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11