REMARK VINA RESULT: -5.1 1.670 2.424 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 0.924 5.075 13.243 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 4.924 3.216 10.479 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -0.537 0.224 12.340 0.00 0.00 0.164 C ATOM 4 C UNL d 1 0.473 -1.565 10.830 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -0.153 -1.250 12.193 0.00 0.00 0.083 C ATOM 6 C UNL d 1 1.824 -0.849 10.777 0.00 0.00 0.088 C ATOM 7 C UNL d 1 0.550 1.148 11.777 0.00 0.00 0.014 A ATOM 8 C UNL d 1 1.698 0.629 11.129 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 0.503 2.535 12.052 0.00 0.00 0.090 A ATOM 10 C UNL d 1 2.779 1.485 10.858 0.00 0.00 0.088 A ATOM 11 C UNL d 1 1.609 3.382 11.816 0.00 0.00 0.066 A ATOM 12 C UNL d 1 2.740 2.850 11.203 0.00 0.00 0.066 A ATOM 13 C UNL d 1 1.664 4.781 12.315 0.00 0.00 0.200 C ATOM 14 C UNL d 1 3.902 3.709 10.943 0.00 0.00 0.197 C ATOM 15 C UNL d 1 2.701 5.741 11.843 0.00 0.00 0.062 A ATOM 16 C UNL d 1 3.821 5.164 11.209 0.00 0.00 0.032 A ATOM 17 C UNL d 1 2.706 7.140 12.049 0.00 0.00 0.083 A ATOM 18 C UNL d 1 4.930 5.935 10.817 0.00 0.00 0.017 A ATOM 19 C UNL d 1 3.835 7.885 11.639 0.00 0.00 0.038 A ATOM 20 C UNL d 1 4.941 7.299 11.039 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -1.847 0.550 11.809 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -2.039 0.232 10.409 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -2.338 1.390 9.612 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -3.674 1.896 9.710 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -4.712 0.805 9.381 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -3.794 3.087 8.757 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -4.472 -0.385 10.329 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -3.043 -0.894 10.137 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -4.602 0.356 8.019 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -3.654 0.328 7.791 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -5.408 -1.491 10.092 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -5.947 -1.661 10.943 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -6.105 -1.176 9.411 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 0.650 -3.094 10.747 0.00 0.00 0.184 C ATOM 35 O UNL d 1 1.764 -3.629 10.829 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -0.581 -3.963 10.527 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -1.055 -3.811 9.191 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -1.807 -3.186 9.236 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 -0.337 -1.124 9.741 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -0.260 -0.159 9.621 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -0.661 3.056 12.553 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -1.107 2.371 13.084 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 3.891 0.913 10.290 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 4.682 1.158 10.826 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 1.807 8.017 12.583 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 0.552 8.317 12.012 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11