REMARK VINA RESULT: -5.6 2.631 6.844 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 1 113.774 87.493 54.158 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 111.772 85.701 58.617 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 111.256 83.281 52.607 0.00 0.00 0.164 C ATOM 4 C UNL d 1 110.141 81.421 53.946 0.00 0.00 0.127 C ATOM 5 C UNL d 1 110.040 82.363 52.741 0.00 0.00 0.083 C ATOM 6 C UNL d 1 110.062 82.287 55.205 0.00 0.00 0.088 C ATOM 7 C UNL d 1 111.695 83.840 53.967 0.00 0.00 0.014 A ATOM 8 C UNL d 1 111.063 83.435 55.169 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 112.627 84.902 54.022 0.00 0.00 0.090 A ATOM 10 C UNL d 1 111.317 84.151 56.352 0.00 0.00 0.088 A ATOM 11 C UNL d 1 112.846 85.644 55.204 0.00 0.00 0.066 A ATOM 12 C UNL d 1 112.197 85.251 56.371 0.00 0.00 0.066 A ATOM 13 C UNL d 1 113.635 86.904 55.221 0.00 0.00 0.200 C ATOM 14 C UNL d 1 112.410 86.002 57.614 0.00 0.00 0.197 C ATOM 15 C UNL d 1 114.081 87.532 56.496 0.00 0.00 0.062 A ATOM 16 C UNL d 1 113.413 87.091 57.658 0.00 0.00 0.032 A ATOM 17 C UNL d 1 115.030 88.571 56.634 0.00 0.00 0.083 A ATOM 18 C UNL d 1 113.646 87.677 58.916 0.00 0.00 0.017 A ATOM 19 C UNL d 1 115.242 89.135 57.913 0.00 0.00 0.038 A ATOM 20 C UNL d 1 114.558 88.708 59.043 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 112.368 82.690 51.886 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 112.399 82.976 50.466 0.00 0.00 0.263 C ATOM 23 O UNL d 1 113.053 84.218 50.163 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 112.297 85.409 50.416 0.00 0.00 0.151 C ATOM 25 C UNL d 1 110.946 85.383 49.673 0.00 0.00 0.179 C ATOM 26 C UNL d 1 113.148 86.604 49.985 0.00 0.00 0.042 C ATOM 27 C UNL d 1 110.188 84.111 50.102 0.00 0.00 0.253 C ATOM 28 C UNL d 1 111.038 82.886 49.764 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 111.122 85.370 48.245 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 112.067 85.210 48.063 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 108.884 83.984 49.441 0.00 0.00 0.085 N ATOM 32 H UNL d 1 108.829 84.660 48.678 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 108.851 83.073 48.974 0.00 0.00 0.313 HD ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 4 34 ATOM 34 C UNL d 1 108.952 80.443 53.867 0.00 0.00 0.184 C ATOM 35 O UNL d 1 107.791 80.805 54.103 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 109.223 78.986 53.517 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 109.906 78.903 52.268 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 109.247 78.593 51.615 0.00 0.00 0.209 HD ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 4 34 BRANCH 4 39 ATOM 39 O UNL d 1 111.361 80.679 53.961 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 111.830 80.769 53.110 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 113.336 85.201 52.887 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 114.254 84.894 53.003 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 110.626 83.757 57.471 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 111.051 84.159 58.264 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 115.863 89.207 55.761 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 116.331 88.644 54.554 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11