REMARK VINA RESULT: -4.6 0.000 0.000 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 -5.747 -2.602 4.409 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -7.903 -3.322 6.261 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -8.218 -2.740 5.001 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -8.945 -3.677 7.202 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -5.475 -3.245 5.631 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -7.120 -2.320 4.165 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -6.530 -3.536 6.525 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -9.597 -2.592 4.657 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -10.279 -3.450 6.824 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -10.601 -2.936 5.570 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -4.104 -3.615 6.154 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -4.667 -2.233 3.427 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -3.444 -1.657 3.818 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -2.462 -1.356 2.850 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -3.018 -1.362 5.236 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -2.624 -1.503 1.455 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -3.878 -2.019 1.021 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -1.588 -1.152 0.508 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -4.815 -2.447 2.030 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -4.110 -2.098 -0.389 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -3.109 -1.765 -1.296 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -1.864 -1.320 -0.857 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -5.901 -3.170 1.573 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -5.828 -4.099 1.849 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -5.457 -2.412 -0.933 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -5.747 -3.466 -1.487 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -3.318 -1.805 -2.651 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -2.428 -1.871 -3.050 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -0.995 -1.038 -1.882 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -0.235 -0.536 -1.558 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -0.241 -0.580 0.976 0.00 0.00 0.014 C ATOM 32 C UNL d 1 0.976 -1.317 0.404 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -0.172 0.941 0.810 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -7.460 -1.540 3.074 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -7.198 -1.980 2.248 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -10.021 -2.207 3.291 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -10.082 -1.053 2.885 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -8.612 -4.318 8.556 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -9.430 -3.754 9.724 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -8.620 -5.849 8.487 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -11.931 -2.840 5.253 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -12.324 -3.686 5.545 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -11.383 -3.740 7.591 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -11.144 -4.308 8.335 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11