REMARK VINA RESULT: -3.3 2.747 7.482 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 14.492 44.245 27.571 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 10.671 47.772 27.315 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 15.542 46.671 23.156 0.00 0.00 0.164 C ATOM 4 C UNL d 1 14.195 48.387 21.838 0.00 0.00 0.127 C ATOM 5 C UNL d 1 15.577 47.977 22.359 0.00 0.00 0.083 C ATOM 6 C UNL d 1 13.340 48.747 23.055 0.00 0.00 0.088 C ATOM 7 C UNL d 1 14.334 46.617 24.099 0.00 0.00 0.014 A ATOM 8 C UNL d 1 13.358 47.644 24.107 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 14.268 45.620 25.100 0.00 0.00 0.090 A ATOM 10 C UNL d 1 12.415 47.685 25.149 0.00 0.00 0.088 A ATOM 11 C UNL d 1 13.346 45.690 26.167 0.00 0.00 0.066 A ATOM 12 C UNL d 1 12.410 46.721 26.175 0.00 0.00 0.066 A ATOM 13 C UNL d 1 13.419 44.789 27.347 0.00 0.00 0.200 C ATOM 14 C UNL d 1 11.438 46.816 27.271 0.00 0.00 0.197 C ATOM 15 C UNL d 1 12.303 44.692 28.329 0.00 0.00 0.062 A ATOM 16 C UNL d 1 11.366 45.744 28.291 0.00 0.00 0.032 A ATOM 17 C UNL d 1 12.152 43.708 29.333 0.00 0.00 0.083 A ATOM 18 C UNL d 1 10.326 45.847 29.234 0.00 0.00 0.017 A ATOM 19 C UNL d 1 11.094 43.839 30.262 0.00 0.00 0.038 A ATOM 20 C UNL d 1 10.194 44.895 30.227 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 15.641 45.476 22.339 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 14.815 44.367 22.772 0.00 0.00 0.263 C ATOM 23 O UNL d 1 15.456 43.094 22.597 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 15.493 42.583 21.259 0.00 0.00 0.151 C ATOM 25 C UNL d 1 14.078 42.495 20.654 0.00 0.00 0.179 C ATOM 26 C UNL d 1 16.169 41.212 21.301 0.00 0.00 0.042 C ATOM 27 C UNL d 1 13.440 43.896 20.724 0.00 0.00 0.253 C ATOM 28 C UNL d 1 13.399 44.354 22.182 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 13.249 41.561 21.368 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 13.025 41.960 22.230 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 12.078 43.921 20.178 0.00 0.00 0.085 N ATOM 32 H UNL d 1 11.554 44.679 20.619 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 12.135 44.195 19.192 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 14.394 49.607 20.917 0.00 0.00 0.184 C ATOM 35 O UNL d 1 15.508 50.120 20.742 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 13.178 50.212 20.230 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 12.071 49.317 20.316 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 11.379 49.785 20.824 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 13.555 47.343 21.105 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 13.471 46.538 21.650 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 15.128 44.555 25.010 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 14.784 43.828 25.561 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 11.536 48.741 25.143 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 10.728 48.476 24.644 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 12.830 42.565 29.642 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 13.057 41.505 28.738 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11