REMARK VINA RESULT: -3.0 2.535 8.808 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 3.181 -4.501 4.693 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 1.420 -9.225 5.992 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -1.477 -3.440 6.606 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -3.389 -4.984 7.285 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -2.565 -3.741 7.639 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -2.458 -6.193 7.399 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -0.759 -4.718 6.153 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -1.171 -5.995 6.606 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 0.438 -4.624 5.407 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -0.341 -7.106 6.374 0.00 0.00 0.088 A ATOM 11 C UNL d 1 1.289 -5.735 5.214 0.00 0.00 0.066 A ATOM 12 C UNL d 1 0.883 -6.979 5.689 0.00 0.00 0.066 A ATOM 13 C UNL d 1 2.656 -5.604 4.644 0.00 0.00 0.200 C ATOM 14 C UNL d 1 1.746 -8.151 5.499 0.00 0.00 0.197 C ATOM 15 C UNL d 1 3.437 -6.793 4.202 0.00 0.00 0.062 A ATOM 16 C UNL d 1 2.981 -8.036 4.688 0.00 0.00 0.032 A ATOM 17 C UNL d 1 4.621 -6.781 3.428 0.00 0.00 0.083 A ATOM 18 C UNL d 1 3.685 -9.231 4.449 0.00 0.00 0.017 A ATOM 19 C UNL d 1 5.302 -7.999 3.205 0.00 0.00 0.038 A ATOM 20 C UNL d 1 4.854 -9.211 3.712 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -1.935 -2.652 5.477 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -1.595 -1.245 5.534 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -0.777 -0.825 4.431 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 0.606 -1.192 4.494 0.00 0.00 0.151 C ATOM 25 C UNL d 1 1.260 -0.687 5.796 0.00 0.00 0.179 C ATOM 26 C UNL d 1 1.300 -0.613 3.260 0.00 0.00 0.042 C ATOM 27 C UNL d 1 0.455 -1.249 6.984 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -0.996 -0.782 6.868 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 1.270 0.749 5.867 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 2.091 1.019 6.319 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 0.993 -0.819 8.280 0.00 0.00 0.085 N ATOM 32 H UNL d 1 1.507 -1.593 8.703 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 1.708 -0.105 8.107 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 -4.546 -5.074 8.299 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -5.173 -4.071 8.667 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -4.904 -6.433 8.884 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -6.301 -6.492 9.164 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -6.410 -6.173 10.083 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 -3.925 -4.925 5.962 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -3.218 -4.763 5.310 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 0.763 -3.411 4.855 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -0.010 -3.074 4.365 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -0.758 -8.307 6.895 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -0.314 -8.446 7.764 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 5.316 -5.798 2.787 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 4.803 -5.024 1.724 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11