REMARK VINA RESULT: -5.7 2.213 5.101 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_19 REMARK 2 A between atoms: C_13 and O_1 REMARK 3 A between atoms: C_14 and O_3 REMARK 4 A between atoms: O_4 and C_22 REMARK 5 A between atoms: O_5 and C_24 REMARK 6 A between atoms: O_6 and C_26 REMARK 7 A between atoms: O_8 and C_30 REMARK 8 A between atoms: O_11 and C_35 REMARK 9 A between atoms: N_12 and C_21 REMARK 10 A between atoms: C_14 and C_25 REMARK 11 A between atoms: C_25 and C_30 ROOT ATOM 1 O UNL d 1 41.073 67.597 57.100 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 44.386 68.616 53.217 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 44.149 63.472 57.182 0.00 0.00 0.164 C ATOM 4 C UNL d 1 45.956 62.711 55.554 0.00 0.00 0.127 C ATOM 5 C UNL d 1 45.553 62.887 57.022 0.00 0.00 0.083 C ATOM 6 C UNL d 1 46.094 64.111 54.952 0.00 0.00 0.088 C ATOM 7 C UNL d 1 43.896 64.614 56.189 0.00 0.00 0.014 A ATOM 8 C UNL d 1 44.857 64.964 55.208 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 42.766 65.449 56.351 0.00 0.00 0.090 A ATOM 10 C UNL d 1 44.700 66.164 54.493 0.00 0.00 0.088 A ATOM 11 C UNL d 1 42.636 66.674 55.659 0.00 0.00 0.066 A ATOM 12 C UNL d 1 43.603 67.017 54.718 0.00 0.00 0.066 A ATOM 13 C UNL d 1 41.583 67.670 55.991 0.00 0.00 0.200 C ATOM 14 C UNL d 1 43.489 68.282 53.983 0.00 0.00 0.197 C ATOM 15 C UNL d 1 41.288 68.825 55.098 0.00 0.00 0.062 A ATOM 16 C UNL d 1 42.283 69.127 54.145 0.00 0.00 0.032 A ATOM 17 C UNL d 1 40.166 69.682 55.176 0.00 0.00 0.083 A ATOM 18 C UNL d 1 42.195 70.258 53.313 0.00 0.00 0.017 A ATOM 19 C UNL d 1 40.108 70.807 54.323 0.00 0.00 0.038 A ATOM 20 C UNL d 1 41.107 71.106 53.407 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 43.087 62.484 57.146 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 43.022 61.611 58.300 0.00 0.00 0.263 C ATOM 23 O UNL d 1 41.677 61.247 58.648 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 40.906 62.247 59.323 0.00 0.00 0.151 C ATOM 25 C UNL d 1 41.617 62.734 60.602 0.00 0.00 0.179 C ATOM 26 C UNL d 1 39.535 61.646 59.641 0.00 0.00 0.042 C ATOM 27 C UNL d 1 43.015 63.247 60.206 0.00 0.00 0.253 C ATOM 28 C UNL d 1 43.788 62.115 59.529 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 41.756 61.679 61.570 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 42.673 61.699 61.903 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 43.784 63.729 61.359 0.00 0.00 0.085 N ATOM 32 H UNL d 1 43.923 64.736 61.272 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 43.202 63.626 62.196 0.00 0.00 0.313 HD ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 4 34 ATOM 34 C UNL d 1 47.302 61.961 55.533 0.00 0.00 0.184 C ATOM 35 O UNL d 1 47.581 61.093 56.371 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 48.327 62.323 54.466 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 49.399 63.062 55.049 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 50.198 62.505 54.955 0.00 0.00 0.209 HD ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 4 34 BRANCH 4 39 ATOM 39 O UNL d 1 44.991 61.970 54.806 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 44.592 62.525 54.110 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 41.773 65.036 57.202 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 41.394 64.205 56.860 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 45.696 66.485 53.603 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 46.320 67.112 54.039 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 39.030 69.679 55.931 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 37.743 69.981 55.436 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11