REMARK VINA RESULT: -5.3 3.801 8.090 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 -16.652 20.997 -30.058 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -14.219 21.119 -28.427 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -14.128 21.233 -29.842 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -13.035 21.163 -27.595 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -16.714 20.960 -28.653 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -15.342 21.075 -30.606 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -15.521 20.972 -27.895 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -12.841 21.475 -30.413 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -11.793 21.344 -28.227 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -11.698 21.516 -29.606 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -17.972 20.832 -27.822 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -17.882 20.953 -30.927 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -18.210 19.845 -31.729 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -19.391 19.857 -32.503 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -17.433 18.554 -31.817 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -20.271 20.953 -32.625 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -19.930 22.117 -31.879 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -21.455 20.914 -33.456 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -18.797 22.038 -30.991 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -20.751 23.276 -32.047 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -21.892 23.234 -32.843 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -22.250 22.069 -33.519 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -18.654 23.090 -30.105 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -17.913 22.921 -29.499 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -20.351 24.594 -31.487 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -19.719 25.441 -32.106 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -22.678 24.340 -33.042 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -22.920 24.320 -33.989 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -23.401 22.200 -34.256 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -24.005 22.830 -33.839 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -21.814 19.664 -34.273 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -20.639 18.698 -34.474 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -23.086 18.984 -33.759 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -15.177 20.943 -31.973 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -15.955 21.287 -32.443 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -12.677 21.826 -31.843 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -12.129 21.112 -32.674 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -13.129 21.055 -26.067 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -12.259 19.941 -25.472 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -12.939 22.412 -25.380 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -10.457 21.785 -30.121 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -10.618 22.054 -31.047 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -10.579 21.421 -27.586 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -10.698 21.609 -26.646 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11