REMARK VINA RESULT: -3.5 3.345 8.950 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 20.462 -32.880 -4.245 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 19.258 -29.475 -0.495 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 15.828 -31.210 -5.735 0.00 0.00 0.164 C ATOM 4 C UNL d 1 14.120 -29.747 -4.535 0.00 0.00 0.127 C ATOM 5 C UNL d 1 14.833 -30.054 -5.856 0.00 0.00 0.083 C ATOM 6 C UNL d 1 15.173 -29.198 -3.569 0.00 0.00 0.088 C ATOM 7 C UNL d 1 16.646 -31.117 -4.441 0.00 0.00 0.014 A ATOM 8 C UNL d 1 16.390 -30.111 -3.477 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 17.787 -31.935 -4.271 0.00 0.00 0.090 A ATOM 10 C UNL d 1 17.315 -29.905 -2.439 0.00 0.00 0.088 A ATOM 11 C UNL d 1 18.735 -31.696 -3.251 0.00 0.00 0.066 A ATOM 12 C UNL d 1 18.481 -30.686 -2.327 0.00 0.00 0.066 A ATOM 13 C UNL d 1 20.049 -32.389 -3.203 0.00 0.00 0.200 C ATOM 14 C UNL d 1 19.447 -30.419 -1.254 0.00 0.00 0.197 C ATOM 15 C UNL d 1 20.921 -32.331 -1.997 0.00 0.00 0.062 A ATOM 16 C UNL d 1 20.620 -31.307 -1.076 0.00 0.00 0.032 A ATOM 17 C UNL d 1 22.055 -33.137 -1.742 0.00 0.00 0.083 A ATOM 18 C UNL d 1 21.427 -31.059 0.049 0.00 0.00 0.017 A ATOM 19 C UNL d 1 22.843 -32.862 -0.601 0.00 0.00 0.038 A ATOM 20 C UNL d 1 22.547 -31.833 0.284 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 15.234 -32.523 -5.903 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 14.325 -32.923 -4.848 0.00 0.00 0.263 C ATOM 23 O UNL d 1 14.994 -33.564 -3.750 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 15.396 -34.923 -3.961 0.00 0.00 0.151 C ATOM 25 C UNL d 1 14.199 -35.803 -4.373 0.00 0.00 0.179 C ATOM 26 C UNL d 1 16.040 -35.426 -2.668 0.00 0.00 0.042 C ATOM 27 C UNL d 1 13.562 -35.184 -5.632 0.00 0.00 0.253 C ATOM 28 C UNL d 1 13.124 -33.753 -5.317 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 13.211 -35.882 -3.332 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 12.334 -35.941 -3.757 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 12.400 -35.945 -6.106 0.00 0.00 0.085 N ATOM 32 H UNL d 1 11.811 -35.337 -6.676 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 12.733 -36.660 -6.761 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 13.034 -28.695 -4.831 0.00 0.00 0.184 C ATOM 35 O UNL d 1 12.660 -27.881 -3.975 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 12.384 -28.679 -6.208 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 12.479 -27.375 -6.778 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 12.956 -27.481 -7.626 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 13.512 -30.904 -3.959 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 13.707 -31.698 -4.492 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 17.958 -32.993 -5.127 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 18.535 -32.711 -5.861 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 17.049 -28.872 -1.572 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 16.907 -29.245 -0.671 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 22.613 -34.207 -2.378 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 23.717 -34.126 -3.254 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11