REMARK VINA RESULT: -5.1 2.306 9.411 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 -6.313 -1.390 6.252 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -7.984 -2.516 8.381 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -8.304 -1.244 7.830 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -8.783 -3.094 9.443 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -6.068 -2.675 6.768 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -7.400 -0.694 6.850 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -6.860 -3.172 7.828 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -9.485 -0.590 8.297 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -9.897 -2.369 9.896 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -10.253 -1.151 9.323 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -4.951 -3.605 6.345 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -5.487 -0.787 5.147 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -6.050 -0.063 4.080 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -5.218 0.499 3.088 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -7.517 0.247 3.898 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -3.820 0.327 3.008 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -3.225 -0.460 4.035 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -3.021 0.907 1.950 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -4.072 -0.910 5.113 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -1.823 -0.729 3.937 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -1.058 -0.165 2.921 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -1.641 0.655 1.957 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -3.418 -1.445 6.207 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -2.780 -2.121 5.921 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -1.161 -1.714 4.832 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -0.351 -1.417 5.702 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 0.281 -0.431 2.790 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 0.331 -1.326 2.400 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -0.744 1.128 1.031 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 0.164 0.998 1.336 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -3.665 1.742 0.833 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -3.500 1.134 -0.566 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -5.108 2.135 1.164 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -7.604 0.636 6.526 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -7.849 0.722 5.589 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -10.018 0.622 7.632 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -10.424 0.657 6.477 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -8.450 -4.472 10.031 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -7.736 -4.408 11.386 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -9.662 -5.410 10.021 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -11.411 -0.564 9.764 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -11.285 -0.441 10.725 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -10.762 -2.778 10.883 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -11.337 -3.487 10.565 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11