REMARK VINA RESULT: 1.7 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 37.970 6.935 31.472 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 34.313 9.131 34.455 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 34.364 8.195 28.024 0.00 0.00 0.164 C ATOM 4 C UNL d 1 31.986 9.057 28.341 0.00 0.00 0.127 C ATOM 5 C UNL d 1 33.295 9.183 27.554 0.00 0.00 0.083 C ATOM 6 C UNL d 1 32.274 9.513 29.774 0.00 0.00 0.088 C ATOM 7 C UNL d 1 34.411 8.099 29.554 0.00 0.00 0.014 A ATOM 8 C UNL d 1 33.483 8.797 30.365 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 35.495 7.445 30.184 0.00 0.00 0.090 A ATOM 10 C UNL d 1 33.713 8.887 31.749 0.00 0.00 0.088 A ATOM 11 C UNL d 1 35.745 7.575 31.569 0.00 0.00 0.066 A ATOM 12 C UNL d 1 34.837 8.287 32.348 0.00 0.00 0.066 A ATOM 13 C UNL d 1 37.002 7.096 32.201 0.00 0.00 0.200 C ATOM 14 C UNL d 1 35.071 8.434 33.790 0.00 0.00 0.197 C ATOM 15 C UNL d 1 37.146 6.996 33.680 0.00 0.00 0.062 A ATOM 16 C UNL d 1 36.195 7.715 34.434 0.00 0.00 0.032 A ATOM 17 C UNL d 1 38.180 6.333 34.381 0.00 0.00 0.083 A ATOM 18 C UNL d 1 36.275 7.808 35.836 0.00 0.00 0.017 A ATOM 19 C UNL d 1 38.229 6.444 35.789 0.00 0.00 0.038 A ATOM 20 C UNL d 1 37.299 7.177 36.516 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 34.272 6.885 27.406 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 33.099 6.116 27.770 0.00 0.00 0.263 C ATOM 23 O UNL d 1 32.916 6.021 29.192 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 33.770 5.099 29.879 0.00 0.00 0.151 C ATOM 25 C UNL d 1 33.658 3.681 29.284 0.00 0.00 0.179 C ATOM 26 C UNL d 1 33.382 5.116 31.359 0.00 0.00 0.042 C ATOM 27 C UNL d 1 33.985 3.766 27.781 0.00 0.00 0.253 C ATOM 28 C UNL d 1 33.009 4.734 27.112 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 32.338 3.135 29.451 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 31.762 3.846 29.790 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 33.897 2.462 27.112 0.00 0.00 0.085 N ATOM 32 H UNL d 1 34.646 2.390 26.421 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 34.118 1.736 27.800 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 30.950 9.974 27.663 0.00 0.00 0.184 C ATOM 35 O UNL d 1 29.788 9.602 27.449 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 31.382 11.364 27.217 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 31.304 12.274 28.313 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 31.101 13.150 27.927 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 31.488 7.719 28.364 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 30.629 7.661 27.907 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 36.312 6.659 29.413 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 37.159 6.537 29.881 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 32.817 9.633 32.476 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 32.773 10.539 32.091 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 39.221 5.541 33.995 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 39.226 4.132 34.087 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11