REMARK VINA RESULT: -5.0 2.525 6.897 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 32.167 77.784 101.042 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 27.475 80.030 101.254 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 30.061 75.522 105.157 0.00 0.00 0.164 C ATOM 4 C UNL d 1 27.902 76.029 106.413 0.00 0.00 0.127 C ATOM 5 C UNL d 1 28.819 74.945 105.837 0.00 0.00 0.083 C ATOM 6 C UNL d 1 27.320 76.805 105.229 0.00 0.00 0.088 C ATOM 7 C UNL d 1 29.719 76.751 104.305 0.00 0.00 0.014 A ATOM 8 C UNL d 1 28.408 77.286 104.275 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 30.675 77.265 103.398 0.00 0.00 0.090 A ATOM 10 C UNL d 1 28.079 78.242 103.299 0.00 0.00 0.088 A ATOM 11 C UNL d 1 30.328 78.195 102.392 0.00 0.00 0.066 A ATOM 12 C UNL d 1 29.028 78.691 102.360 0.00 0.00 0.066 A ATOM 13 C UNL d 1 31.256 78.562 101.291 0.00 0.00 0.200 C ATOM 14 C UNL d 1 28.642 79.660 101.328 0.00 0.00 0.197 C ATOM 15 C UNL d 1 30.990 79.723 100.397 0.00 0.00 0.062 A ATOM 16 C UNL d 1 29.666 80.209 100.408 0.00 0.00 0.032 A ATOM 17 C UNL d 1 31.902 80.313 99.491 0.00 0.00 0.083 A ATOM 18 C UNL d 1 29.240 81.225 99.532 0.00 0.00 0.017 A ATOM 19 C UNL d 1 31.442 81.333 98.628 0.00 0.00 0.038 A ATOM 20 C UNL d 1 30.129 81.783 98.633 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 31.163 75.787 106.063 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 32.462 75.902 105.432 0.00 0.00 0.263 C ATOM 23 O UNL d 1 33.140 74.640 105.319 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 33.735 74.133 106.520 0.00 0.00 0.151 C ATOM 25 C UNL d 1 34.716 75.152 107.133 0.00 0.00 0.179 C ATOM 26 C UNL d 1 34.438 72.819 106.174 0.00 0.00 0.042 C ATOM 27 C UNL d 1 33.950 76.467 107.375 0.00 0.00 0.253 C ATOM 28 C UNL d 1 33.381 76.965 106.046 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 35.833 75.408 106.263 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 35.508 75.376 105.344 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 34.801 77.514 107.953 0.00 0.00 0.085 N ATOM 32 H UNL d 1 35.130 77.210 108.870 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 35.653 77.580 107.388 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 26.792 75.318 107.212 0.00 0.00 0.184 C ATOM 35 O UNL d 1 26.293 74.251 106.830 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 26.279 75.967 108.490 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 27.192 75.728 109.560 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 26.671 75.318 110.279 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 28.597 76.933 107.272 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 29.354 77.338 106.809 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 31.974 76.844 103.520 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 32.430 76.987 102.670 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 26.776 78.675 103.275 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 26.214 78.016 103.745 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 33.229 80.126 99.236 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 34.271 80.547 100.089 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11