REMARK VINA RESULT: -7.0 2.485 7.353 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 -2.375 -5.746 0.096 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -2.159 -5.717 5.298 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -6.338 -2.705 1.334 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -7.402 -2.194 3.593 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -6.922 -1.630 2.251 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -6.161 -2.664 4.356 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -5.440 -3.680 2.106 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -5.292 -3.590 3.513 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -4.607 -4.578 1.400 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -4.276 -4.328 4.144 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -3.561 -5.285 2.034 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -3.412 -5.165 3.413 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -2.534 -6.043 1.272 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -2.336 -5.891 4.097 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -1.602 -6.991 1.944 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -1.495 -6.851 3.343 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -0.766 -7.939 1.309 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -0.570 -7.598 4.096 0.00 0.00 0.017 A ATOM 19 C UNL d 1 0.150 -8.674 2.096 0.00 0.00 0.038 A ATOM 20 C UNL d 1 0.261 -8.507 3.469 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -7.328 -3.404 0.536 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -7.304 -3.097 -0.880 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -5.972 -2.907 -1.385 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -5.350 -1.655 -1.072 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -6.214 -0.468 -1.539 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -3.972 -1.639 -1.737 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -7.605 -0.603 -0.889 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -8.220 -1.941 -1.301 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -6.361 -0.444 -2.970 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -6.566 -1.351 -3.263 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -8.515 0.480 -1.278 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -9.362 0.077 -1.682 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -8.841 0.945 -0.424 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 -8.117 -1.053 4.343 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -8.772 -1.258 5.374 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -8.039 0.358 3.778 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -7.749 1.287 4.821 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -8.595 1.727 5.039 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 -8.301 -3.291 3.435 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -9.082 -3.026 2.915 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -4.844 -4.763 0.062 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -4.126 -5.309 -0.310 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -4.137 -4.150 5.499 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -4.295 -3.201 5.712 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -0.624 -8.354 0.018 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 0.452 -7.993 -0.822 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11