REMARK VINA RESULT: -4.2 0.793 9.331 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 11.762 45.744 23.682 0.00 0.00 0.017 A ATOM 2 C UNL d 1 12.690 47.945 21.982 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 13.580 46.887 22.317 0.00 0.00 0.025 A ATOM 4 C UNL d 1 13.122 49.053 21.155 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 10.888 46.768 23.273 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 13.104 45.876 23.229 0.00 0.00 0.089 A ATOM 7 C UNL d 1 11.375 47.842 22.494 0.00 0.00 0.020 A ATOM 8 C UNL d 1 14.888 46.906 21.745 0.00 0.00 0.051 A ATOM 9 C UNL d 1 14.442 49.039 20.674 0.00 0.00 0.107 A ATOM 10 C UNL d 1 15.303 47.979 20.947 0.00 0.00 0.113 A ATOM 11 C UNL d 1 9.428 46.894 23.651 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 11.316 44.590 24.540 0.00 0.00 0.017 A ATOM 13 C UNL d 1 10.986 43.328 24.011 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 10.598 42.279 24.873 0.00 0.00 0.020 A ATOM 15 C UNL d 1 11.059 42.932 22.556 0.00 0.00 0.049 C ATOM 16 C UNL d 1 10.417 42.398 26.267 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 10.675 43.682 26.826 0.00 0.00 0.025 A ATOM 18 C UNL d 1 9.992 41.291 27.096 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 11.201 44.702 25.952 0.00 0.00 0.089 A ATOM 20 C UNL d 1 10.417 43.862 28.221 0.00 0.00 0.051 A ATOM 21 C UNL d 1 10.013 42.794 29.016 0.00 0.00 0.113 A ATOM 22 C UNL d 1 9.824 41.527 28.469 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 11.674 45.841 26.575 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 12.281 46.320 25.986 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 10.446 45.212 28.844 0.00 0.00 0.273 C ATOM 26 O UNL d 1 11.346 45.616 29.570 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 9.732 42.949 30.349 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 10.401 42.413 30.820 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 9.428 40.589 29.391 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 10.193 40.122 29.754 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 9.697 39.910 26.490 0.00 0.00 0.014 C ATOM 32 C UNL d 1 9.432 39.941 24.980 0.00 0.00 0.015 C ATOM 33 C UNL d 1 10.732 38.862 26.910 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 14.066 45.012 23.722 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 14.953 45.304 23.454 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 15.803 45.746 21.854 0.00 0.00 0.273 C ATOM 37 O UNL d 1 15.617 44.664 21.310 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 12.162 50.190 20.779 0.00 0.00 0.014 C ATOM 39 C UNL d 1 11.209 49.840 19.631 0.00 0.00 0.015 C ATOM 40 C UNL d 1 11.453 50.774 22.006 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 16.538 48.005 20.354 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 16.494 47.338 19.641 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 15.004 50.003 19.871 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 15.686 50.493 20.347 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11