REMARK VINA RESULT: -4.5 2.844 9.242 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 -7.719 -4.266 8.064 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -11.550 -4.060 4.545 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -5.860 -0.922 4.623 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -6.717 -0.257 2.316 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -6.119 0.224 3.643 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -8.123 -0.781 2.617 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -7.019 -1.925 4.638 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -8.120 -1.794 3.756 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -7.089 -2.904 5.657 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -9.269 -2.575 3.971 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -8.261 -3.655 5.895 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -9.344 -3.495 5.034 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -8.432 -4.508 7.100 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -10.573 -4.267 5.256 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -9.545 -5.492 7.212 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -10.613 -5.308 6.309 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -9.666 -6.516 8.179 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -11.783 -6.087 6.375 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -10.854 -7.282 8.215 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -11.907 -7.072 7.335 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -4.581 -1.581 4.437 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -3.543 -0.754 3.856 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -3.365 -0.990 2.450 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -2.654 -2.182 2.095 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -1.269 -2.231 2.770 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -2.534 -2.218 0.570 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -1.474 -2.109 4.292 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -2.199 -0.797 4.594 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -0.418 -1.163 2.319 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 0.370 -1.564 1.905 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -0.207 -2.136 5.034 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -0.374 -2.513 5.968 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 0.407 -2.824 4.589 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 -6.766 0.956 1.367 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -6.904 2.112 1.789 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -6.672 0.716 -0.134 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -7.440 -0.430 -0.495 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -6.992 -1.199 -0.090 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 -5.946 -1.296 1.714 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -6.419 -2.148 1.758 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -5.971 -3.121 6.422 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -6.146 -2.806 7.327 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -10.329 -2.358 3.125 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -10.350 -1.402 2.883 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -8.844 -6.987 9.160 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -8.584 -8.355 9.393 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11