MODEL 1 REMARK VINA RESULT: -4.3 0.000 0.000 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 29.428 2.335 -44.161 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 31.690 5.560 -40.757 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 33.474 -0.420 -42.571 0.00 0.00 0.164 C ATOM 4 C UNL d 1 35.472 0.235 -41.130 0.00 0.00 0.127 C ATOM 5 C UNL d 1 34.410 -0.828 -41.432 0.00 0.00 0.083 C ATOM 6 C UNL d 1 34.742 1.453 -40.559 0.00 0.00 0.088 C ATOM 7 C UNL d 1 33.056 1.051 -42.460 0.00 0.00 0.014 A ATOM 8 C UNL d 1 33.588 1.894 -41.453 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 31.999 1.544 -43.259 0.00 0.00 0.090 A ATOM 10 C UNL d 1 32.998 3.150 -41.227 0.00 0.00 0.088 A ATOM 11 C UNL d 1 31.382 2.789 -43.000 0.00 0.00 0.066 A ATOM 12 C UNL d 1 31.900 3.594 -41.989 0.00 0.00 0.066 A ATOM 13 C UNL d 1 30.126 3.212 -43.671 0.00 0.00 0.200 C ATOM 14 C UNL d 1 31.281 4.893 -41.702 0.00 0.00 0.197 C ATOM 15 C UNL d 1 29.631 4.615 -43.594 0.00 0.00 0.062 A ATOM 16 C UNL d 1 30.195 5.404 -42.570 0.00 0.00 0.032 A ATOM 17 C UNL d 1 28.605 5.188 -44.380 0.00 0.00 0.083 A ATOM 18 C UNL d 1 29.742 6.709 -42.304 0.00 0.00 0.017 A ATOM 19 C UNL d 1 28.175 6.503 -44.087 0.00 0.00 0.038 A ATOM 20 C UNL d 1 28.724 7.258 -43.060 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 33.978 -0.737 -43.894 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 34.565 0.378 -44.610 0.00 0.00 0.263 C ATOM 23 O UNL d 1 33.995 0.562 -45.916 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 34.427 -0.354 -46.929 0.00 0.00 0.151 C ATOM 25 C UNL d 1 35.962 -0.350 -47.070 0.00 0.00 0.179 C ATOM 26 C UNL d 1 33.744 0.043 -48.239 0.00 0.00 0.042 C ATOM 27 C UNL d 1 36.569 -0.679 -45.693 0.00 0.00 0.253 C ATOM 28 C UNL d 1 36.097 0.362 -44.678 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 36.454 0.927 -47.513 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 36.598 0.873 -48.476 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 38.037 -0.692 -45.715 0.00 0.00 0.085 N ATOM 32 H UNL d 1 38.371 -1.551 -45.276 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 38.340 -0.773 -46.690 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 36.444 -0.366 -40.096 0.00 0.00 0.184 C ATOM 35 O UNL d 1 37.363 -1.127 -40.428 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 36.246 -0.034 -38.624 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 37.170 -0.773 -37.827 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 37.838 -0.130 -37.514 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 36.201 0.625 -42.293 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 35.621 1.085 -42.928 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 31.579 0.781 -44.318 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 30.737 0.352 -44.079 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 33.512 3.896 -40.195 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 32.878 4.620 -39.981 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 27.875 4.745 -45.445 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 27.437 5.566 -46.506 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11 ENDMDL