REMARK VINA RESULT: -8.2 0.000 0.000 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 -20.663 19.807 -27.684 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -19.288 21.648 -23.012 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -15.628 20.678 -28.294 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -13.947 21.859 -26.785 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -14.218 20.661 -27.701 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -14.843 21.699 -25.554 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -16.676 21.079 -27.249 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -16.300 21.466 -25.939 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -18.051 20.902 -27.528 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -17.289 21.578 -24.946 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -19.035 20.975 -26.517 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -18.646 21.330 -25.229 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -20.444 20.559 -26.745 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -19.649 21.416 -24.161 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -21.523 20.883 -25.769 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -21.087 21.258 -24.482 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -22.915 20.764 -25.987 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -21.991 21.479 -23.426 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -23.796 20.997 -24.906 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -23.350 21.341 -23.637 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -15.750 21.465 -29.507 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -14.936 21.013 -30.617 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -15.013 21.885 -31.756 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -16.202 21.785 -32.549 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -16.432 20.340 -33.034 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -16.063 22.753 -33.725 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -16.480 19.422 -31.797 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -15.166 19.553 -31.028 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -15.382 19.898 -33.911 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -15.608 20.185 -34.816 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -16.688 18.012 -32.151 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -17.635 17.737 -31.888 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -16.677 17.936 -33.172 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 -12.456 21.815 -26.398 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -11.564 21.682 -27.246 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -12.078 21.909 -24.926 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -11.777 23.261 -24.584 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -12.088 23.388 -23.665 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 -14.234 23.107 -27.417 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -14.821 23.651 -26.858 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -18.421 20.662 -28.827 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -18.942 21.421 -29.148 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -16.858 21.890 -23.680 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -16.587 22.838 -23.662 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -23.675 20.464 -27.079 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -23.789 21.285 -28.221 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11