REMARK VINA RESULT: -5.3 2.114 3.457 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_21 REMARK 2 A between atoms: O_2 and C_22 REMARK 3 A between atoms: O_3 and C_27 REMARK 4 A between atoms: O_4 and C_28 REMARK 5 A between atoms: O_5 and C_29 REMARK 6 A between atoms: O_6 and C_30 REMARK 7 A between atoms: C_9 and C_10 REMARK 8 A between atoms: C_15 and C_19 REMARK 9 A between atoms: C_16 and C_20 REMARK 10 A between atoms: C_25 and C_37 REMARK 11 A between atoms: C_26 and C_38 ROOT ATOM 1 C UNL d 1 41.832 65.634 56.245 0.00 0.00 0.017 A ATOM 2 C UNL d 1 40.437 63.652 57.894 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 41.695 64.165 58.318 0.00 0.00 0.025 A ATOM 4 C UNL d 1 39.729 62.663 58.680 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 40.556 65.161 55.891 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 42.383 65.068 57.428 0.00 0.00 0.089 A ATOM 7 C UNL d 1 39.928 64.169 56.680 0.00 0.00 0.020 A ATOM 8 C UNL d 1 42.200 63.737 59.583 0.00 0.00 0.051 A ATOM 9 C UNL d 1 40.312 62.241 59.886 0.00 0.00 0.107 A ATOM 10 C UNL d 1 41.514 62.780 60.339 0.00 0.00 0.113 A ATOM 11 C UNL d 1 39.768 65.561 54.663 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 42.571 66.664 55.431 0.00 0.00 0.017 A ATOM 13 C UNL d 1 43.685 66.349 54.632 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 44.319 67.357 53.873 0.00 0.00 0.020 A ATOM 15 C UNL d 1 44.276 64.974 54.438 0.00 0.00 0.049 C ATOM 16 C UNL d 1 43.986 68.728 53.904 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 42.906 69.092 54.758 0.00 0.00 0.025 A ATOM 18 C UNL d 1 44.691 69.720 53.122 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 42.184 68.031 55.418 0.00 0.00 0.089 A ATOM 20 C UNL d 1 42.597 70.483 54.881 0.00 0.00 0.051 A ATOM 21 C UNL d 1 43.274 71.434 54.123 0.00 0.00 0.113 A ATOM 22 C UNL d 1 44.287 71.059 53.244 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 40.999 68.399 56.026 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 41.168 68.717 56.929 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 41.640 70.974 55.908 0.00 0.00 0.273 C ATOM 26 O UNL d 1 40.470 71.255 55.679 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 43.015 72.775 54.246 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 43.863 73.179 54.516 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 44.847 72.120 52.575 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 44.833 72.916 53.123 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 45.867 69.331 52.214 0.00 0.00 0.014 C ATOM 32 C UNL d 1 47.223 69.318 52.930 0.00 0.00 0.015 C ATOM 33 C UNL d 1 45.583 68.054 51.417 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 43.699 65.346 57.755 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 44.303 64.870 57.160 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 43.382 64.378 60.206 0.00 0.00 0.273 C ATOM 37 O UNL d 1 44.450 63.813 60.409 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 38.366 62.117 58.234 0.00 0.00 0.014 C ATOM 39 C UNL d 1 38.357 60.603 57.990 0.00 0.00 0.015 C ATOM 40 C UNL d 1 37.228 62.596 59.142 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 41.955 62.380 61.574 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 41.616 61.470 61.684 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 39.768 61.323 60.753 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 39.212 61.759 61.412 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11