REMARK VINA RESULT: -4.3 1.586 1.645 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 39.264 -35.378 -49.295 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 35.233 -35.145 -46.009 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 39.296 -40.077 -47.196 0.00 0.00 0.164 C ATOM 4 C UNL d 1 37.975 -41.034 -45.237 0.00 0.00 0.127 C ATOM 5 C UNL d 1 38.508 -41.271 -46.654 0.00 0.00 0.083 C ATOM 6 C UNL d 1 36.917 -39.933 -45.329 0.00 0.00 0.088 C ATOM 7 C UNL d 1 38.608 -38.747 -46.861 0.00 0.00 0.014 A ATOM 8 C UNL d 1 37.439 -38.703 -46.062 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 39.036 -37.556 -47.492 0.00 0.00 0.090 A ATOM 10 C UNL d 1 36.703 -37.508 -45.991 0.00 0.00 0.088 A ATOM 11 C UNL d 1 38.270 -36.370 -47.451 0.00 0.00 0.066 A ATOM 12 C UNL d 1 37.109 -36.351 -46.683 0.00 0.00 0.066 A ATOM 13 C UNL d 1 38.581 -35.189 -48.298 0.00 0.00 0.200 C ATOM 14 C UNL d 1 36.296 -35.130 -46.620 0.00 0.00 0.197 C ATOM 15 C UNL d 1 37.940 -33.865 -48.062 0.00 0.00 0.062 A ATOM 16 C UNL d 1 36.779 -33.885 -47.262 0.00 0.00 0.032 A ATOM 17 C UNL d 1 38.331 -32.630 -48.628 0.00 0.00 0.083 A ATOM 18 C UNL d 1 36.003 -32.730 -47.050 0.00 0.00 0.017 A ATOM 19 C UNL d 1 37.531 -31.489 -48.392 0.00 0.00 0.038 A ATOM 20 C UNL d 1 36.376 -31.530 -47.623 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 40.696 -40.069 -46.813 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 41.630 -40.278 -47.901 0.00 0.00 0.263 C ATOM 23 O UNL d 1 41.001 -40.233 -49.191 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 40.254 -41.394 -49.571 0.00 0.00 0.151 C ATOM 25 C UNL d 1 41.123 -42.666 -49.505 0.00 0.00 0.179 C ATOM 26 C UNL d 1 39.712 -41.161 -50.983 0.00 0.00 0.042 C ATOM 27 C UNL d 1 41.692 -42.782 -48.077 0.00 0.00 0.253 C ATOM 28 C UNL d 1 42.507 -41.527 -47.762 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 42.210 -42.619 -50.446 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 42.997 -43.000 -50.012 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 42.549 -43.962 -47.908 0.00 0.00 0.085 N ATOM 32 H UNL d 1 43.462 -43.666 -47.561 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 42.162 -44.530 -47.148 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 37.359 -42.360 -44.749 0.00 0.00 0.184 C ATOM 35 O UNL d 1 37.510 -42.763 -43.587 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 36.569 -43.208 -45.736 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 36.803 -44.593 -45.487 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 37.147 -44.967 -46.322 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 38.999 -40.627 -44.329 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 39.721 -41.284 -44.305 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 40.239 -37.570 -48.151 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 40.834 -38.198 -47.702 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 35.542 -37.542 -45.256 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 35.706 -38.055 -44.430 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 39.384 -32.241 -49.403 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 39.315 -32.038 -50.798 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11