REMARK VINA RESULT: -4.7 2.248 3.151 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 -3.626 -1.712 4.903 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -0.960 -2.009 3.719 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -1.109 -1.337 4.965 0.00 0.00 0.025 A ATOM 4 C UNL d 1 0.342 -2.160 3.103 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -3.434 -2.432 3.710 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -2.449 -1.137 5.460 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -2.145 -2.517 3.138 0.00 0.00 0.020 A ATOM 8 C UNL d 1 0.072 -0.889 5.630 0.00 0.00 0.051 A ATOM 9 C UNL d 1 1.456 -1.643 3.784 0.00 0.00 0.107 A ATOM 10 C UNL d 1 1.329 -1.037 5.031 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -4.517 -3.100 2.892 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -4.977 -1.553 5.549 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -5.494 -2.478 6.474 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -6.758 -2.260 7.063 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -4.788 -3.713 6.980 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -7.634 -1.202 6.737 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -7.170 -0.285 5.751 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -8.932 -1.045 7.357 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -5.823 -0.448 5.263 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -8.067 0.748 5.332 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -9.312 0.899 5.934 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -9.729 0.033 6.942 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -5.327 0.599 4.508 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -4.752 0.261 3.801 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -7.758 1.610 4.161 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -8.038 2.801 4.091 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -10.199 1.864 5.529 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -10.139 1.879 4.554 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -10.981 0.326 7.427 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -11.597 0.497 6.702 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -9.439 -2.043 8.408 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -9.332 -1.531 9.849 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -10.823 -2.598 8.056 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -2.569 -0.272 6.533 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -1.856 -0.426 7.175 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 0.038 -0.383 7.022 0.00 0.00 0.273 C ATOM 37 O UNL d 1 0.872 -0.652 7.878 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 0.510 -2.896 1.766 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -0.592 -3.923 1.484 0.00 0.00 0.015 C ATOM 40 C UNL d 1 0.759 -1.929 0.604 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 2.482 -0.652 5.663 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 2.772 0.156 5.195 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 2.758 -1.714 3.345 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 2.811 -1.539 2.397 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11