REMARK VINA RESULT: -5.1 2.253 7.613 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 1 111.003 82.425 53.635 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 111.045 82.225 58.837 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 113.093 86.959 54.883 0.00 0.00 0.164 C ATOM 4 C UNL d 1 113.344 88.111 57.143 0.00 0.00 0.127 C ATOM 5 C UNL d 1 114.008 87.766 55.805 0.00 0.00 0.083 C ATOM 6 C UNL d 1 113.152 86.798 57.905 0.00 0.00 0.088 C ATOM 7 C UNL d 1 112.334 85.870 55.651 0.00 0.00 0.014 A ATOM 8 C UNL d 1 112.445 85.747 57.058 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 111.644 84.860 54.941 0.00 0.00 0.090 A ATOM 10 C UNL d 1 111.943 84.594 57.687 0.00 0.00 0.088 A ATOM 11 C UNL d 1 111.180 83.684 55.573 0.00 0.00 0.066 A ATOM 12 C UNL d 1 111.320 83.567 56.953 0.00 0.00 0.066 A ATOM 13 C UNL d 1 110.671 82.516 54.809 0.00 0.00 0.200 C ATOM 14 C UNL d 1 110.844 82.358 57.635 0.00 0.00 0.197 C ATOM 15 C UNL d 1 109.946 81.399 55.477 0.00 0.00 0.062 A ATOM 16 C UNL d 1 110.097 81.327 56.877 0.00 0.00 0.032 A ATOM 17 C UNL d 1 109.209 80.375 54.838 0.00 0.00 0.083 A ATOM 18 C UNL d 1 109.566 80.261 57.627 0.00 0.00 0.017 A ATOM 19 C UNL d 1 108.687 79.320 55.622 0.00 0.00 0.038 A ATOM 20 C UNL d 1 108.866 79.250 56.997 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 112.199 87.771 54.078 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 112.834 88.493 52.995 0.00 0.00 0.263 C ATOM 23 O UNL d 1 111.987 89.505 52.428 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 110.950 89.046 51.554 0.00 0.00 0.151 C ATOM 25 C UNL d 1 111.525 88.200 50.400 0.00 0.00 0.179 C ATOM 26 C UNL d 1 110.203 90.273 51.028 0.00 0.00 0.042 C ATOM 27 C UNL d 1 112.326 87.035 51.013 0.00 0.00 0.253 C ATOM 28 C UNL d 1 113.436 87.605 51.898 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 112.390 88.974 49.550 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 111.865 89.272 48.783 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 112.928 86.168 49.993 0.00 0.00 0.085 N ATOM 32 H UNL d 1 113.621 86.702 49.467 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 113.476 85.446 50.472 0.00 0.00 0.313 HD ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 4 34 ATOM 34 C UNL d 1 114.294 89.060 57.898 0.00 0.00 0.184 C ATOM 35 O UNL d 1 115.496 89.149 57.610 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 113.741 89.888 59.049 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 112.485 90.457 58.683 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 111.815 90.034 59.257 0.00 0.00 0.209 HD ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 4 34 BRANCH 4 39 ATOM 39 O UNL d 1 112.077 88.747 56.975 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 112.181 89.715 56.910 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 111.421 85.049 53.601 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 110.468 85.203 53.462 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 112.138 84.499 59.044 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 111.268 84.336 59.478 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 108.843 80.145 53.544 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 109.320 79.072 52.761 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11