REMARK VINA RESULT: -7.1 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 1 114.104 87.262 52.495 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 110.819 83.830 50.367 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 112.314 84.764 56.623 0.00 0.00 0.164 C ATOM 4 C UNL d 1 110.425 83.068 56.853 0.00 0.00 0.127 C ATOM 5 C UNL d 1 111.853 83.450 57.256 0.00 0.00 0.083 C ATOM 6 C UNL d 1 110.448 82.743 55.357 0.00 0.00 0.088 C ATOM 7 C UNL d 1 111.896 84.859 55.150 0.00 0.00 0.014 A ATOM 8 C UNL d 1 111.098 83.857 54.544 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 112.446 85.868 54.327 0.00 0.00 0.090 A ATOM 10 C UNL d 1 110.951 83.850 53.146 0.00 0.00 0.088 A ATOM 11 C UNL d 1 112.330 85.831 52.919 0.00 0.00 0.066 A ATOM 12 C UNL d 1 111.565 84.825 52.337 0.00 0.00 0.066 A ATOM 13 C UNL d 1 113.098 86.743 52.031 0.00 0.00 0.200 C ATOM 14 C UNL d 1 111.425 84.766 50.877 0.00 0.00 0.197 C ATOM 15 C UNL d 1 112.778 86.879 50.583 0.00 0.00 0.062 A ATOM 16 C UNL d 1 111.984 85.850 50.036 0.00 0.00 0.032 A ATOM 17 C UNL d 1 113.261 87.877 49.705 0.00 0.00 0.083 A ATOM 18 C UNL d 1 111.699 85.784 48.659 0.00 0.00 0.017 A ATOM 19 C UNL d 1 112.954 87.782 48.329 0.00 0.00 0.038 A ATOM 20 C UNL d 1 112.191 86.749 47.802 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 111.929 85.947 57.368 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 112.837 86.324 58.433 0.00 0.00 0.263 C ATOM 23 O UNL d 1 112.558 87.628 58.967 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 112.981 88.741 58.171 0.00 0.00 0.151 C ATOM 25 C UNL d 1 114.488 88.664 57.857 0.00 0.00 0.179 C ATOM 26 C UNL d 1 112.635 90.021 58.934 0.00 0.00 0.042 C ATOM 27 C UNL d 1 114.764 87.316 57.163 0.00 0.00 0.253 C ATOM 28 C UNL d 1 114.324 86.180 58.088 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 115.288 88.755 59.049 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 114.736 88.468 59.800 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 116.181 87.136 56.827 0.00 0.00 0.085 N ATOM 32 H UNL d 1 116.254 86.634 55.940 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 116.581 88.058 56.628 0.00 0.00 0.313 HD ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 4 34 ATOM 34 C UNL d 1 110.025 81.834 57.685 0.00 0.00 0.184 C ATOM 35 O UNL d 1 110.618 81.529 58.728 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 108.888 80.952 57.188 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 109.294 79.585 57.188 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 109.565 79.379 58.105 0.00 0.00 0.209 HD ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 4 34 BRANCH 4 39 ATOM 39 O UNL d 1 109.490 84.121 57.092 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 109.433 84.323 58.044 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 113.102 86.909 54.931 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 112.945 86.862 55.892 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 110.222 82.817 52.609 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 110.781 82.346 51.947 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 114.007 89.005 49.883 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 113.699 90.026 50.808 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11