REMARK VINA RESULT: -4.7 2.596 6.885 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 30.536 79.600 101.426 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 35.705 79.362 101.992 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 31.090 75.711 104.751 0.00 0.00 0.164 C ATOM 4 C UNL d 1 33.179 74.483 105.543 0.00 0.00 0.127 C ATOM 5 C UNL d 1 31.837 75.107 105.941 0.00 0.00 0.083 C ATOM 6 C UNL d 1 34.096 75.626 105.102 0.00 0.00 0.088 C ATOM 7 C UNL d 1 32.036 76.485 103.824 0.00 0.00 0.014 A ATOM 8 C UNL d 1 33.434 76.514 104.055 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 31.504 77.327 102.821 0.00 0.00 0.090 A ATOM 10 C UNL d 1 34.228 77.430 103.344 0.00 0.00 0.088 A ATOM 11 C UNL d 1 32.299 78.276 102.140 0.00 0.00 0.066 A ATOM 12 C UNL d 1 33.667 78.309 102.397 0.00 0.00 0.066 A ATOM 13 C UNL d 1 31.716 79.324 101.262 0.00 0.00 0.200 C ATOM 14 C UNL d 1 34.517 79.282 101.700 0.00 0.00 0.197 C ATOM 15 C UNL d 1 32.563 80.142 100.349 0.00 0.00 0.062 A ATOM 16 C UNL d 1 33.945 80.133 100.631 0.00 0.00 0.032 A ATOM 17 C UNL d 1 32.107 80.979 99.305 0.00 0.00 0.083 A ATOM 18 C UNL d 1 34.851 80.948 99.928 0.00 0.00 0.017 A ATOM 19 C UNL d 1 33.044 81.782 98.617 0.00 0.00 0.038 A ATOM 20 C UNL d 1 34.399 81.781 98.922 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 30.279 74.759 104.016 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 28.881 74.723 104.394 0.00 0.00 0.263 C ATOM 23 O UNL d 1 28.007 75.151 103.337 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 27.939 76.563 103.106 0.00 0.00 0.151 C ATOM 25 C UNL d 1 27.548 77.323 104.389 0.00 0.00 0.179 C ATOM 26 C UNL d 1 26.928 76.805 101.984 0.00 0.00 0.042 C ATOM 27 C UNL d 1 28.567 76.962 105.488 0.00 0.00 0.253 C ATOM 28 C UNL d 1 28.552 75.449 105.705 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 26.227 76.972 104.836 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 25.929 76.205 104.311 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 28.279 77.630 106.763 0.00 0.00 0.085 N ATOM 32 H UNL d 1 28.807 78.503 106.810 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 27.299 77.929 106.751 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 33.741 73.766 106.786 0.00 0.00 0.184 C ATOM 35 O UNL d 1 33.443 74.119 107.935 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 34.712 72.610 106.589 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 35.679 72.600 107.638 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 36.280 73.352 107.463 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 33.049 73.544 104.475 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 32.110 73.356 104.292 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 30.175 77.199 102.507 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 29.923 76.261 102.592 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 35.565 77.460 103.656 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 35.831 76.573 103.994 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 30.882 81.210 98.750 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 29.792 81.783 99.439 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11