REMARK VINA RESULT: -3.2 2.433 7.319 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 9.991 41.310 24.394 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 12.790 42.530 20.178 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 11.870 45.937 25.635 0.00 0.00 0.164 C ATOM 4 C UNL d 1 13.617 47.390 24.478 0.00 0.00 0.127 C ATOM 5 C UNL d 1 12.262 47.349 25.194 0.00 0.00 0.083 C ATOM 6 C UNL d 1 13.450 46.646 23.151 0.00 0.00 0.088 C ATOM 7 C UNL d 1 12.180 44.900 24.549 0.00 0.00 0.014 A ATOM 8 C UNL d 1 12.838 45.263 23.348 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 11.657 43.591 24.658 0.00 0.00 0.090 A ATOM 10 C UNL d 1 12.876 44.348 22.282 0.00 0.00 0.088 A ATOM 11 C UNL d 1 11.660 42.690 23.569 0.00 0.00 0.066 A ATOM 12 C UNL d 1 12.288 43.073 22.387 0.00 0.00 0.066 A ATOM 13 C UNL d 1 10.908 41.408 23.591 0.00 0.00 0.200 C ATOM 14 C UNL d 1 12.309 42.155 21.241 0.00 0.00 0.197 C ATOM 15 C UNL d 1 11.126 40.354 22.561 0.00 0.00 0.062 A ATOM 16 C UNL d 1 11.783 40.777 21.387 0.00 0.00 0.032 A ATOM 17 C UNL d 1 10.665 39.019 22.615 0.00 0.00 0.083 A ATOM 18 C UNL d 1 11.954 39.923 20.283 0.00 0.00 0.017 A ATOM 19 C UNL d 1 10.855 38.186 21.489 0.00 0.00 0.038 A ATOM 20 C UNL d 1 11.482 38.625 20.331 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 12.413 45.547 26.922 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 11.527 45.752 28.050 0.00 0.00 0.263 C ATOM 23 O UNL d 1 12.235 45.966 29.282 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 12.797 44.801 29.898 0.00 0.00 0.151 C ATOM 25 C UNL d 1 11.723 43.723 30.142 0.00 0.00 0.179 C ATOM 26 C UNL d 1 13.458 45.237 31.207 0.00 0.00 0.042 C ATOM 27 C UNL d 1 11.054 43.400 28.792 0.00 0.00 0.253 C ATOM 28 C UNL d 1 10.445 44.679 28.219 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 10.721 44.168 31.073 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 9.915 43.640 30.919 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 10.002 42.383 28.914 0.00 0.00 0.085 N ATOM 32 H UNL d 1 10.263 41.563 28.365 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 9.996 42.047 29.882 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 13.971 48.871 24.246 0.00 0.00 0.184 C ATOM 35 O UNL d 1 13.202 49.786 24.572 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 15.290 49.212 23.568 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 15.049 49.726 22.259 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 15.259 50.681 22.297 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 14.655 46.770 25.238 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 14.447 45.833 25.409 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 11.143 43.198 25.867 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 11.878 43.092 26.499 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 13.468 44.779 21.120 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 14.446 44.765 21.239 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 10.036 38.278 23.573 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 10.422 38.238 24.930 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11