REMARK VINA RESULT: -6.1 2.524 4.096 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 32.800 73.880 104.199 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 36.182 77.762 104.976 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 31.364 77.307 100.638 0.00 0.00 0.164 C ATOM 4 C UNL d 1 32.093 79.720 100.260 0.00 0.00 0.127 C ATOM 5 C UNL d 1 31.762 78.370 99.613 0.00 0.00 0.083 C ATOM 6 C UNL d 1 33.373 79.529 101.076 0.00 0.00 0.088 C ATOM 7 C UNL d 1 32.269 77.348 101.875 0.00 0.00 0.014 A ATOM 8 C UNL d 1 33.270 78.340 102.024 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 32.230 76.287 102.810 0.00 0.00 0.090 A ATOM 10 C UNL d 1 34.235 78.194 103.036 0.00 0.00 0.088 A ATOM 11 C UNL d 1 33.227 76.123 103.798 0.00 0.00 0.066 A ATOM 12 C UNL d 1 34.219 77.093 103.914 0.00 0.00 0.066 A ATOM 13 C UNL d 1 33.334 74.894 104.626 0.00 0.00 0.200 C ATOM 14 C UNL d 1 35.265 76.949 104.934 0.00 0.00 0.197 C ATOM 15 C UNL d 1 34.209 74.836 105.831 0.00 0.00 0.062 A ATOM 16 C UNL d 1 35.188 75.847 105.922 0.00 0.00 0.032 A ATOM 17 C UNL d 1 34.205 73.829 106.824 0.00 0.00 0.083 A ATOM 18 C UNL d 1 36.158 75.852 106.941 0.00 0.00 0.017 A ATOM 19 C UNL d 1 35.192 73.866 107.836 0.00 0.00 0.038 A ATOM 20 C UNL d 1 36.165 74.854 107.897 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 29.959 77.330 100.999 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 29.647 78.065 102.207 0.00 0.00 0.263 C ATOM 23 O UNL d 1 29.263 77.210 103.296 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 27.934 76.678 103.243 0.00 0.00 0.151 C ATOM 25 C UNL d 1 26.885 77.801 103.121 0.00 0.00 0.179 C ATOM 26 C UNL d 1 27.714 75.843 104.505 0.00 0.00 0.042 C ATOM 27 C UNL d 1 27.226 78.640 101.873 0.00 0.00 0.253 C ATOM 28 C UNL d 1 28.638 79.205 102.023 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 26.880 78.654 104.279 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 27.792 78.973 104.418 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 26.287 79.750 101.669 0.00 0.00 0.085 N ATOM 32 H UNL d 1 26.490 80.200 100.776 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 25.349 79.355 101.545 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 32.305 80.737 99.121 0.00 0.00 0.184 C ATOM 35 O UNL d 1 33.420 80.931 98.617 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 31.112 81.544 98.627 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 29.927 80.752 98.689 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 30.222 79.821 98.743 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 31.052 80.185 101.119 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 30.220 79.707 100.944 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 31.181 75.406 102.745 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 30.889 75.202 103.652 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 35.220 79.150 103.091 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 35.718 79.139 102.240 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 33.410 72.747 107.065 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 33.620 71.821 108.109 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11