REMARK VINA RESULT: -1.5 2.683 4.826 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 1 111.795 84.991 52.429 0.00 0.00 0.017 A ATOM 2 C UNL d 1 112.699 87.632 51.533 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 113.232 87.070 52.727 0.00 0.00 0.025 A ATOM 4 C UNL d 1 113.116 88.940 51.072 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 111.343 85.544 51.217 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 112.688 85.810 53.173 0.00 0.00 0.089 A ATOM 7 C UNL d 1 111.758 86.840 50.835 0.00 0.00 0.020 A ATOM 8 C UNL d 1 114.251 87.798 53.413 0.00 0.00 0.051 A ATOM 9 C UNL d 1 114.080 89.628 51.827 0.00 0.00 0.107 A ATOM 10 C UNL d 1 114.651 89.062 52.964 0.00 0.00 0.113 A ATOM 11 C UNL d 1 110.358 84.906 50.262 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 111.366 83.630 52.912 0.00 0.00 0.017 A ATOM 13 C UNL d 1 111.373 82.491 52.087 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 110.981 81.238 52.608 0.00 0.00 0.020 A ATOM 15 C UNL d 1 111.832 82.441 50.650 0.00 0.00 0.049 C ATOM 16 C UNL d 1 110.478 81.020 53.908 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 110.391 82.167 54.747 0.00 0.00 0.025 A ATOM 18 C UNL d 1 110.067 79.715 54.377 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 110.923 83.410 54.244 0.00 0.00 0.089 A ATOM 20 C UNL d 1 109.804 82.000 56.040 0.00 0.00 0.051 A ATOM 21 C UNL d 1 109.414 80.742 56.490 0.00 0.00 0.113 A ATOM 22 C UNL d 1 109.562 79.616 55.682 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 111.052 84.427 55.171 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 111.889 84.902 55.036 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 109.471 83.170 56.895 0.00 0.00 0.273 C ATOM 26 O UNL d 1 110.161 83.558 57.830 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 108.822 80.561 57.714 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 107.873 80.750 57.574 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 109.130 78.457 56.280 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 108.949 78.603 57.218 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 110.144 78.480 53.466 0.00 0.00 0.014 C ATOM 32 C UNL d 1 108.955 78.344 52.507 0.00 0.00 0.015 C ATOM 33 C UNL d 1 111.506 78.357 52.775 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 113.046 85.422 54.453 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 113.405 84.519 54.445 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 115.018 87.198 54.530 0.00 0.00 0.273 C ATOM 37 O UNL d 1 114.808 87.426 55.715 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 112.555 89.545 49.777 0.00 0.00 0.014 C ATOM 39 C UNL d 1 112.717 88.639 48.552 0.00 0.00 0.015 C ATOM 40 C UNL d 1 111.130 90.078 49.961 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 115.654 89.765 53.580 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 116.445 89.196 53.509 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 114.591 90.867 51.523 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 115.327 90.793 50.902 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11