REMARK VINA RESULT: -4.1 3.644 9.270 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 38.439 -40.801 -50.415 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 42.878 -40.713 -47.696 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 38.685 -35.893 -48.888 0.00 0.00 0.164 C ATOM 4 C UNL d 1 40.257 -34.736 -47.248 0.00 0.00 0.127 C ATOM 5 C UNL d 1 39.537 -34.656 -48.599 0.00 0.00 0.083 C ATOM 6 C UNL d 1 41.295 -35.855 -47.354 0.00 0.00 0.088 C ATOM 7 C UNL d 1 39.414 -37.184 -48.497 0.00 0.00 0.014 A ATOM 8 C UNL d 1 40.680 -37.154 -47.863 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 38.906 -38.434 -48.923 0.00 0.00 0.090 A ATOM 10 C UNL d 1 41.421 -38.343 -47.753 0.00 0.00 0.088 A ATOM 11 C UNL d 1 39.672 -39.618 -48.848 0.00 0.00 0.066 A ATOM 12 C UNL d 1 40.926 -39.566 -48.246 0.00 0.00 0.066 A ATOM 13 C UNL d 1 39.251 -40.884 -49.504 0.00 0.00 0.200 C ATOM 14 C UNL d 1 41.742 -40.783 -48.152 0.00 0.00 0.197 C ATOM 15 C UNL d 1 39.920 -42.181 -49.205 0.00 0.00 0.062 A ATOM 16 C UNL d 1 41.179 -42.086 -48.576 0.00 0.00 0.032 A ATOM 17 C UNL d 1 39.457 -43.468 -49.566 0.00 0.00 0.083 A ATOM 18 C UNL d 1 41.977 -43.220 -48.338 0.00 0.00 0.017 A ATOM 19 C UNL d 1 40.283 -44.586 -49.310 0.00 0.00 0.038 A ATOM 20 C UNL d 1 41.532 -44.473 -48.712 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 37.350 -35.836 -48.322 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 36.984 -34.561 -47.739 0.00 0.00 0.263 C ATOM 23 O UNL d 1 36.684 -34.656 -46.338 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 35.407 -35.210 -46.000 0.00 0.00 0.151 C ATOM 25 C UNL d 1 34.262 -34.437 -46.685 0.00 0.00 0.179 C ATOM 26 C UNL d 1 35.271 -35.176 -44.477 0.00 0.00 0.042 C ATOM 27 C UNL d 1 34.518 -34.451 -48.205 0.00 0.00 0.253 C ATOM 28 C UNL d 1 35.877 -33.809 -48.487 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 34.190 -33.075 -46.229 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 33.561 -32.601 -46.805 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 33.484 -33.729 -48.955 0.00 0.00 0.085 N ATOM 32 H UNL d 1 32.849 -33.275 -48.297 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 33.933 -32.952 -49.450 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 40.932 -33.372 -47.004 0.00 0.00 0.184 C ATOM 35 O UNL d 1 42.164 -33.249 -46.962 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 40.053 -32.149 -46.778 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 39.478 -32.195 -45.473 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 38.761 -31.529 -45.466 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 39.366 -35.021 -46.170 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 38.470 -35.213 -46.503 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 37.625 -38.479 -49.411 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 37.646 -38.270 -50.363 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 42.670 -38.242 -47.190 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 43.338 -38.176 -47.912 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 38.310 -43.928 -50.142 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 37.081 -44.074 -49.463 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11