REMARK VINA RESULT: -5.3 2.702 9.020 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 14.983 2.707 -6.659 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 12.672 -0.883 -9.638 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 12.753 5.582 -10.298 0.00 0.00 0.164 C ATOM 4 C UNL d 1 11.592 4.915 -12.468 0.00 0.00 0.127 C ATOM 5 C UNL d 1 11.562 5.818 -11.229 0.00 0.00 0.083 C ATOM 6 C UNL d 1 11.376 3.479 -11.986 0.00 0.00 0.088 C ATOM 7 C UNL d 1 13.054 4.087 -10.135 0.00 0.00 0.014 A ATOM 8 C UNL d 1 12.337 3.106 -10.863 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 13.941 3.656 -9.121 0.00 0.00 0.090 A ATOM 10 C UNL d 1 12.465 1.754 -10.502 0.00 0.00 0.088 A ATOM 11 C UNL d 1 14.033 2.300 -8.734 0.00 0.00 0.066 A ATOM 12 C UNL d 1 13.301 1.351 -9.443 0.00 0.00 0.066 A ATOM 13 C UNL d 1 14.774 1.865 -7.521 0.00 0.00 0.200 C ATOM 14 C UNL d 1 13.382 -0.064 -9.064 0.00 0.00 0.197 C ATOM 15 C UNL d 1 15.088 0.431 -7.268 0.00 0.00 0.062 A ATOM 16 C UNL d 1 14.340 -0.498 -8.020 0.00 0.00 0.032 A ATOM 17 C UNL d 1 15.986 -0.074 -6.299 0.00 0.00 0.083 A ATOM 18 C UNL d 1 14.445 -1.885 -7.805 0.00 0.00 0.017 A ATOM 19 C UNL d 1 16.069 -1.473 -6.110 0.00 0.00 0.038 A ATOM 20 C UNL d 1 15.307 -2.374 -6.841 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 13.941 6.334 -10.655 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 14.081 7.613 -9.988 0.00 0.00 0.263 C ATOM 23 O UNL d 1 14.925 8.526 -10.707 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 16.335 8.290 -10.615 0.00 0.00 0.151 C ATOM 25 C UNL d 1 16.802 8.260 -9.146 0.00 0.00 0.179 C ATOM 26 C UNL d 1 17.045 9.391 -11.404 0.00 0.00 0.042 C ATOM 27 C UNL d 1 15.984 7.184 -8.406 0.00 0.00 0.253 C ATOM 28 C UNL d 1 14.497 7.526 -8.515 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 16.611 9.530 -8.498 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 16.273 10.156 -9.165 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 16.347 7.078 -6.988 0.00 0.00 0.085 N ATOM 32 H UNL d 1 17.304 6.731 -6.912 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 16.391 8.025 -6.599 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 10.449 5.369 -13.396 0.00 0.00 0.184 C ATOM 35 O UNL d 1 9.302 5.568 -12.973 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 10.736 5.547 -14.881 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 11.251 6.855 -15.125 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 10.925 7.117 -16.009 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 12.831 4.995 -13.172 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 13.560 5.222 -12.565 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 14.733 4.595 -8.512 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 14.169 5.174 -7.967 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 11.695 0.854 -11.198 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 12.262 0.094 -11.468 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 16.868 0.510 -5.438 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 16.750 0.476 -4.032 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11