REMARK VINA RESULT: -7.1 0.114 8.752 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 -4.436 -1.005 4.550 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -7.043 -0.831 5.881 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -6.641 0.191 4.977 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -8.318 -0.767 6.564 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -4.894 -2.034 5.393 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -5.314 0.107 4.419 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -6.134 -1.900 6.059 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -7.568 1.242 4.699 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -9.158 0.325 6.289 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -8.800 1.300 5.362 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -4.141 -3.299 5.740 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -3.111 -1.068 3.837 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -2.072 -1.929 4.233 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -0.861 -1.958 3.507 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -2.127 -2.918 5.372 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -0.542 -1.110 2.425 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -1.548 -0.178 2.042 0.00 0.00 0.025 A ATOM 18 C UNL d 1 0.728 -1.169 1.735 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -2.826 -0.256 2.706 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -1.227 0.756 1.007 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -0.006 0.693 0.343 0.00 0.00 0.113 A ATOM 22 C UNL d 1 0.946 -0.265 0.685 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -3.845 0.485 2.137 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -3.547 0.880 1.301 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -2.123 1.900 0.693 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -2.985 1.880 -0.177 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 0.336 1.596 -0.632 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 0.292 1.099 -1.473 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 2.091 -0.188 -0.070 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 1.892 -0.318 -1.007 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 1.819 -2.164 2.160 0.00 0.00 0.014 C ATOM 32 C UNL d 1 2.758 -2.576 1.019 0.00 0.00 0.015 C ATOM 33 C UNL d 1 2.554 -1.709 3.425 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -4.871 1.235 3.750 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -4.364 0.983 2.961 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -7.332 2.222 3.614 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -7.220 1.931 2.430 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -8.763 -1.875 7.529 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -8.154 -1.753 8.931 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -10.284 -2.057 7.536 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -9.724 2.274 5.087 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -10.343 1.866 4.449 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -10.401 0.529 6.840 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -10.909 1.163 6.317 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11