REMARK VINA RESULT: -5.0 3.089 5.297 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 34.553 -35.373 -46.913 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 38.766 -32.972 -48.808 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 38.354 -38.514 -45.439 0.00 0.00 0.164 C ATOM 4 C UNL d 1 40.829 -38.532 -46.046 0.00 0.00 0.127 C ATOM 5 C UNL d 1 39.787 -38.682 -44.932 0.00 0.00 0.083 C ATOM 6 C UNL d 1 40.792 -37.073 -46.507 0.00 0.00 0.088 C ATOM 7 C UNL d 1 38.237 -37.348 -46.428 0.00 0.00 0.014 A ATOM 8 C UNL d 1 39.378 -36.620 -46.848 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 36.960 -36.871 -46.804 0.00 0.00 0.090 A ATOM 10 C UNL d 1 39.202 -35.414 -47.547 0.00 0.00 0.088 A ATOM 11 C UNL d 1 36.788 -35.636 -47.469 0.00 0.00 0.066 A ATOM 12 C UNL d 1 37.919 -34.920 -47.852 0.00 0.00 0.066 A ATOM 13 C UNL d 1 35.453 -35.010 -47.658 0.00 0.00 0.200 C ATOM 14 C UNL d 1 37.769 -33.636 -48.548 0.00 0.00 0.197 C ATOM 15 C UNL d 1 35.252 -33.857 -48.579 0.00 0.00 0.062 A ATOM 16 C UNL d 1 36.424 -33.170 -48.959 0.00 0.00 0.032 A ATOM 17 C UNL d 1 34.012 -33.344 -49.026 0.00 0.00 0.083 A ATOM 18 C UNL d 1 36.379 -31.994 -49.730 0.00 0.00 0.017 A ATOM 19 C UNL d 1 34.003 -32.162 -49.801 0.00 0.00 0.038 A ATOM 20 C UNL d 1 35.164 -31.484 -50.146 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 37.768 -39.730 -45.970 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 38.277 -40.959 -45.394 0.00 0.00 0.263 C ATOM 23 O UNL d 1 39.267 -41.592 -46.220 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 38.776 -42.298 -47.366 0.00 0.00 0.151 C ATOM 25 C UNL d 1 37.733 -43.361 -46.965 0.00 0.00 0.179 C ATOM 26 C UNL d 1 39.975 -42.931 -48.074 0.00 0.00 0.042 C ATOM 27 C UNL d 1 36.604 -42.654 -46.190 0.00 0.00 0.253 C ATOM 28 C UNL d 1 37.198 -41.961 -44.964 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 38.308 -44.386 -46.135 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 37.763 -44.456 -45.329 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 35.557 -43.584 -45.751 0.00 0.00 0.085 N ATOM 32 H UNL d 1 35.263 -44.156 -46.545 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 35.978 -44.254 -45.101 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 42.202 -38.891 -45.444 0.00 0.00 0.184 C ATOM 35 O UNL d 1 42.774 -38.153 -44.632 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 42.882 -40.179 -45.889 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 42.008 -41.288 -45.687 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 41.834 -41.329 -44.725 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 40.565 -39.384 -47.160 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 39.844 -40.009 -46.955 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 35.868 -37.648 -46.514 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 35.103 -37.064 -46.356 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 40.341 -34.717 -47.871 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 40.114 -33.762 -47.958 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 32.719 -33.753 -48.884 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 31.868 -34.091 -49.959 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11