REMARK VINA RESULT: -4.8 2.237 4.334 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 8.668 -15.704 7.714 0.00 0.00 0.017 A ATOM 2 C UNL d 1 6.781 -17.640 6.579 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 7.710 -16.975 5.729 0.00 0.00 0.025 A ATOM 4 C UNL d 1 5.829 -18.591 6.046 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 7.786 -16.431 8.535 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 8.554 -15.966 6.321 0.00 0.00 0.089 A ATOM 7 C UNL d 1 6.855 -17.321 7.955 0.00 0.00 0.020 A ATOM 8 C UNL d 1 7.730 -17.336 4.347 0.00 0.00 0.051 A ATOM 9 C UNL d 1 5.864 -18.856 4.667 0.00 0.00 0.107 A ATOM 10 C UNL d 1 6.807 -18.256 3.836 0.00 0.00 0.113 A ATOM 11 C UNL d 1 7.668 -16.309 10.039 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 9.661 -14.714 8.264 0.00 0.00 0.017 A ATOM 13 C UNL d 1 9.413 -13.330 8.313 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 10.377 -12.457 8.863 0.00 0.00 0.020 A ATOM 15 C UNL d 1 8.143 -12.643 7.872 0.00 0.00 0.049 C ATOM 16 C UNL d 1 11.658 -12.841 9.312 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 11.968 -14.227 9.213 0.00 0.00 0.025 A ATOM 18 C UNL d 1 12.614 -11.895 9.844 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 10.923 -15.120 8.776 0.00 0.00 0.089 A ATOM 20 C UNL d 1 13.289 -14.639 9.576 0.00 0.00 0.051 A ATOM 21 C UNL d 1 14.204 -13.727 10.092 0.00 0.00 0.113 A ATOM 22 C UNL d 1 13.868 -12.384 10.243 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 11.180 -16.469 8.935 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 11.017 -16.944 8.103 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 13.772 -16.018 9.299 0.00 0.00 0.273 C ATOM 26 O UNL d 1 14.089 -16.823 10.166 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 15.485 -14.093 10.420 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 16.062 -13.596 9.808 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 14.885 -11.624 10.767 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 15.681 -12.157 10.892 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 12.286 -10.397 9.936 0.00 0.00 0.014 C ATOM 32 C UNL d 1 12.104 -9.719 8.572 0.00 0.00 0.015 C ATOM 33 C UNL d 1 11.145 -10.115 10.918 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 9.257 -15.175 5.430 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 8.720 -14.413 5.156 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 8.799 -16.867 3.436 0.00 0.00 0.273 C ATOM 37 O UNL d 1 8.635 -16.053 2.536 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 4.834 -19.321 6.960 0.00 0.00 0.014 C ATOM 39 C UNL d 1 3.367 -18.998 6.658 0.00 0.00 0.015 C ATOM 40 C UNL d 1 5.125 -20.823 7.044 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 6.828 -18.649 2.523 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 7.119 -19.582 2.541 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 5.041 -19.737 4.006 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 5.310 -19.833 3.083 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11