REMARK VINA RESULT: -2.1 0.060 9.376 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 1 112.288 85.905 54.390 0.00 0.00 0.017 A ATOM 2 C UNL d 1 112.168 84.575 57.001 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 111.432 84.046 55.904 0.00 0.00 0.025 A ATOM 4 C UNL d 1 112.119 83.949 58.305 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 113.059 86.359 55.476 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 111.452 84.788 54.666 0.00 0.00 0.089 A ATOM 7 C UNL d 1 112.943 85.728 56.736 0.00 0.00 0.020 A ATOM 8 C UNL d 1 110.709 82.831 56.105 0.00 0.00 0.051 A ATOM 9 C UNL d 1 111.340 82.789 58.450 0.00 0.00 0.107 A ATOM 10 C UNL d 1 110.664 82.230 57.368 0.00 0.00 0.113 A ATOM 11 C UNL d 1 113.991 87.551 55.467 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 112.338 86.552 53.031 0.00 0.00 0.017 A ATOM 13 C UNL d 1 113.121 86.051 51.976 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 113.105 86.690 50.717 0.00 0.00 0.020 A ATOM 15 C UNL d 1 113.978 84.809 52.021 0.00 0.00 0.049 C ATOM 16 C UNL d 1 112.417 87.887 50.422 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 111.669 88.459 51.490 0.00 0.00 0.025 A ATOM 18 C UNL d 1 112.460 88.510 49.118 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 111.588 87.719 52.726 0.00 0.00 0.089 A ATOM 20 C UNL d 1 111.031 89.717 51.253 0.00 0.00 0.051 A ATOM 21 C UNL d 1 111.070 90.311 49.996 0.00 0.00 0.113 A ATOM 22 C UNL d 1 111.753 89.710 48.941 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 110.656 88.176 53.639 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 111.097 88.660 54.357 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 110.417 90.493 52.363 0.00 0.00 0.273 C ATOM 26 O UNL d 1 109.495 91.287 52.220 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 110.490 91.530 49.753 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 109.966 91.411 48.936 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 111.689 90.427 47.772 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 112.563 90.494 47.363 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 113.280 87.902 47.971 0.00 0.00 0.014 C ATOM 32 C UNL d 1 112.757 86.543 47.489 0.00 0.00 0.015 C ATOM 33 C UNL d 1 113.519 88.904 46.837 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 110.536 84.384 53.710 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 110.670 83.447 53.488 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 110.101 82.091 54.976 0.00 0.00 0.273 C ATOM 37 O UNL d 1 110.378 80.936 54.675 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 112.921 84.507 59.489 0.00 0.00 0.014 C ATOM 39 C UNL d 1 114.373 84.018 59.536 0.00 0.00 0.015 C ATOM 40 C UNL d 1 112.784 86.028 59.612 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 110.010 81.044 57.582 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 109.157 81.292 57.988 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 111.196 82.068 59.612 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 110.938 81.157 59.422 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11