REMARK VINA RESULT: -2.0 2.667 3.731 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_19 REMARK 2 A between atoms: C_13 and O_1 REMARK 3 A between atoms: C_14 and O_3 REMARK 4 A between atoms: O_4 and C_22 REMARK 5 A between atoms: O_5 and C_24 REMARK 6 A between atoms: O_6 and C_26 REMARK 7 A between atoms: O_8 and C_30 REMARK 8 A between atoms: O_11 and C_35 REMARK 9 A between atoms: N_12 and C_21 REMARK 10 A between atoms: C_14 and C_25 REMARK 11 A between atoms: C_25 and C_30 ROOT ATOM 1 O UNL d 1 0.902 14.623 -18.969 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 2.737 17.581 -15.098 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -3.200 15.060 -15.893 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -3.426 16.028 -13.546 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -4.037 15.922 -14.947 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -2.124 16.822 -13.679 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -1.701 15.350 -15.745 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -1.218 16.251 -14.764 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -0.791 14.851 -16.705 0.00 0.00 0.090 A ATOM 10 C UNL d 1 0.119 16.680 -14.826 0.00 0.00 0.088 A ATOM 11 C UNL d 1 0.540 15.318 -16.788 0.00 0.00 0.066 A ATOM 12 C UNL d 1 0.992 16.223 -15.832 0.00 0.00 0.066 A ATOM 13 C UNL d 1 1.433 14.984 -17.929 0.00 0.00 0.200 C ATOM 14 C UNL d 1 2.371 16.722 -15.893 0.00 0.00 0.197 C ATOM 15 C UNL d 1 2.897 15.256 -17.882 0.00 0.00 0.062 A ATOM 16 C UNL d 1 3.317 16.162 -16.887 0.00 0.00 0.032 A ATOM 17 C UNL d 1 3.871 14.766 -18.783 0.00 0.00 0.083 A ATOM 18 C UNL d 1 4.651 16.602 -16.798 0.00 0.00 0.017 A ATOM 19 C UNL d 1 5.202 15.226 -18.663 0.00 0.00 0.038 A ATOM 20 C UNL d 1 5.595 16.138 -17.693 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -3.484 13.639 -15.806 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -3.135 13.021 -14.543 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -1.771 13.264 -14.162 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -0.777 12.493 -14.848 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -1.050 10.982 -14.717 0.00 0.00 0.179 C ATOM 26 C UNL d 1 0.588 12.866 -14.266 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -2.470 10.705 -15.250 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -3.474 11.529 -14.444 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -0.963 10.540 -13.351 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -1.087 11.319 -12.777 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -2.836 9.286 -15.161 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -2.203 8.817 -14.511 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -3.754 9.222 -14.709 0.00 0.00 0.313 HD ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 4 34 ATOM 34 C UNL d 1 -4.441 16.769 -12.655 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -5.566 17.083 -13.066 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -4.033 17.148 -11.238 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -5.193 17.391 -10.444 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -4.971 17.098 -9.537 0.00 0.00 0.209 HD ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 4 34 BRANCH 4 39 ATOM 39 O UNL d 1 -3.141 14.750 -12.976 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -2.633 14.846 -12.149 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -1.228 13.877 -17.566 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -0.466 13.331 -17.833 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 0.513 17.604 -13.889 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 0.667 17.141 -13.033 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 3.834 13.878 -19.818 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 4.706 12.776 -19.954 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11