REMARK VINA RESULT: -5.8 2.692 3.440 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 43.226 69.406 55.737 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 39.163 68.771 52.545 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 42.248 64.375 56.205 0.00 0.00 0.164 C ATOM 4 C UNL d 1 40.300 62.971 55.349 0.00 0.00 0.127 C ATOM 5 C UNL d 1 41.817 63.062 55.550 0.00 0.00 0.083 C ATOM 6 C UNL d 1 39.918 64.022 54.305 0.00 0.00 0.088 C ATOM 7 C UNL d 1 41.492 65.574 55.619 0.00 0.00 0.014 A ATOM 8 C UNL d 1 40.465 65.400 54.658 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 41.930 66.888 55.904 0.00 0.00 0.090 A ATOM 10 C UNL d 1 39.978 66.521 53.965 0.00 0.00 0.088 A ATOM 11 C UNL d 1 41.467 68.006 55.174 0.00 0.00 0.066 A ATOM 12 C UNL d 1 40.476 67.814 54.214 0.00 0.00 0.066 A ATOM 13 C UNL d 1 42.087 69.351 55.296 0.00 0.00 0.200 C ATOM 14 C UNL d 1 39.974 68.959 53.445 0.00 0.00 0.197 C ATOM 15 C UNL d 1 41.436 70.567 54.733 0.00 0.00 0.062 A ATOM 16 C UNL d 1 40.423 70.331 53.780 0.00 0.00 0.032 A ATOM 17 C UNL d 1 41.794 71.910 54.997 0.00 0.00 0.083 A ATOM 18 C UNL d 1 39.802 71.381 53.080 0.00 0.00 0.017 A ATOM 19 C UNL d 1 41.147 72.941 54.278 0.00 0.00 0.038 A ATOM 20 C UNL d 1 40.170 72.690 53.324 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 42.191 64.360 57.655 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 42.456 63.073 58.266 0.00 0.00 0.263 C ATOM 23 O UNL d 1 41.262 62.417 58.722 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 40.695 62.912 59.941 0.00 0.00 0.151 C ATOM 25 C UNL d 1 41.725 62.888 61.088 0.00 0.00 0.179 C ATOM 26 C UNL d 1 39.472 62.055 60.270 0.00 0.00 0.042 C ATOM 27 C UNL d 1 42.954 63.705 60.645 0.00 0.00 0.253 C ATOM 28 C UNL d 1 43.525 63.093 59.365 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 42.137 61.547 61.406 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 41.578 60.934 60.894 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 44.006 63.738 61.668 0.00 0.00 0.085 N ATOM 32 H UNL d 1 43.607 64.069 62.548 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 44.287 62.773 61.867 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 39.986 61.548 54.849 0.00 0.00 0.184 C ATOM 35 O UNL d 1 40.272 61.180 53.701 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 39.276 60.581 55.787 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 40.032 60.421 56.986 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 40.713 59.746 56.793 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 39.574 63.218 56.554 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 38.640 63.420 56.359 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 42.824 67.064 56.928 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 42.633 67.913 57.367 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 39.030 66.284 52.999 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 39.212 66.871 52.228 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 42.679 72.498 55.852 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 43.968 72.941 55.485 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11