REMARK VINA RESULT: -5.8 3.689 8.742 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 42.243 63.581 57.883 0.00 0.00 0.017 A ATOM 2 C UNL d 1 40.044 65.025 56.588 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 41.283 65.685 56.822 0.00 0.00 0.025 A ATOM 4 C UNL d 1 38.936 65.715 55.962 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 41.031 62.937 57.572 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 42.301 64.960 57.543 0.00 0.00 0.089 A ATOM 7 C UNL d 1 39.971 63.671 56.992 0.00 0.00 0.020 A ATOM 8 C UNL d 1 41.429 67.023 56.346 0.00 0.00 0.051 A ATOM 9 C UNL d 1 39.128 67.050 55.572 0.00 0.00 0.107 A ATOM 10 C UNL d 1 40.354 67.687 55.742 0.00 0.00 0.113 A ATOM 11 C UNL d 1 40.690 61.493 57.868 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 43.399 62.866 58.532 0.00 0.00 0.017 A ATOM 13 C UNL d 1 43.565 62.795 59.927 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 44.659 62.088 60.474 0.00 0.00 0.020 A ATOM 15 C UNL d 1 42.627 63.369 60.961 0.00 0.00 0.049 C ATOM 16 C UNL d 1 45.696 61.492 59.727 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 45.595 61.606 58.311 0.00 0.00 0.025 A ATOM 18 C UNL d 1 46.807 60.802 60.346 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 44.403 62.211 57.769 0.00 0.00 0.089 A ATOM 20 C UNL d 1 46.673 61.090 57.525 0.00 0.00 0.051 A ATOM 21 C UNL d 1 47.737 60.423 58.124 0.00 0.00 0.113 A ATOM 22 C UNL d 1 47.794 60.263 59.506 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 44.226 62.075 56.405 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 43.727 61.264 56.209 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 46.761 61.358 56.065 0.00 0.00 0.273 C ATOM 26 O UNL d 1 46.606 60.505 55.199 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 48.795 59.946 57.393 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 49.333 59.427 58.024 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 48.908 59.581 59.929 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 49.283 59.057 59.208 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 46.925 60.693 61.873 0.00 0.00 0.014 C ATOM 32 C UNL d 1 46.849 59.254 62.399 0.00 0.00 0.015 C ATOM 33 C UNL d 1 48.120 61.482 62.417 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 43.384 65.710 57.966 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 43.251 66.649 57.753 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 42.742 67.710 56.343 0.00 0.00 0.273 C ATOM 37 O UNL d 1 43.047 68.624 57.100 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 37.602 65.004 55.695 0.00 0.00 0.014 C ATOM 39 C UNL d 1 37.632 64.072 54.478 0.00 0.00 0.015 C ATOM 40 C UNL d 1 37.038 64.343 56.957 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 40.477 68.958 55.242 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 41.440 69.115 55.180 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 38.186 67.841 54.956 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 38.606 68.474 54.359 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11