REMARK VINA RESULT: -4.6 3.777 6.442 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 40.132 -37.453 -47.613 0.00 0.00 0.017 A ATOM 2 C UNL d 1 41.019 -34.661 -47.729 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 39.630 -34.959 -47.652 0.00 0.00 0.025 A ATOM 4 C UNL d 1 41.488 -33.293 -47.800 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 41.500 -37.123 -47.617 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 39.241 -36.347 -47.689 0.00 0.00 0.089 A ATOM 7 C UNL d 1 41.897 -35.770 -47.723 0.00 0.00 0.020 A ATOM 8 C UNL d 1 38.715 -33.866 -47.564 0.00 0.00 0.051 A ATOM 9 C UNL d 1 40.530 -32.267 -47.769 0.00 0.00 0.107 A ATOM 10 C UNL d 1 39.172 -32.545 -47.634 0.00 0.00 0.113 A ATOM 11 C UNL d 1 42.651 -38.104 -47.591 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 39.640 -38.875 -47.537 0.00 0.00 0.017 A ATOM 13 C UNL d 1 39.541 -39.709 -48.665 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 39.095 -41.041 -48.523 0.00 0.00 0.020 A ATOM 15 C UNL d 1 39.933 -39.341 -50.076 0.00 0.00 0.049 C ATOM 16 C UNL d 1 38.635 -41.620 -47.321 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 38.657 -40.780 -46.172 0.00 0.00 0.025 A ATOM 18 C UNL d 1 38.165 -42.986 -47.243 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 39.243 -39.469 -46.309 0.00 0.00 0.089 A ATOM 20 C UNL d 1 38.117 -41.305 -44.956 0.00 0.00 0.051 A ATOM 21 C UNL d 1 37.670 -42.620 -44.883 0.00 0.00 0.113 A ATOM 22 C UNL d 1 37.712 -43.453 -45.999 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 39.475 -38.788 -45.128 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 39.019 -37.930 -45.138 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 37.895 -40.435 -43.770 0.00 0.00 0.273 C ATOM 26 O UNL d 1 38.652 -40.377 -42.809 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 37.122 -43.137 -43.737 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 37.860 -43.195 -43.099 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 37.236 -44.717 -45.753 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 37.897 -45.248 -45.288 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 38.126 -43.888 -48.486 0.00 0.00 0.014 C ATOM 32 C UNL d 1 39.156 -45.023 -48.459 0.00 0.00 0.015 C ATOM 33 C UNL d 1 36.705 -44.357 -48.814 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 37.889 -36.587 -47.864 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 37.663 -37.484 -47.567 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 37.280 -34.074 -47.259 0.00 0.00 0.273 C ATOM 37 O UNL d 1 36.371 -33.916 -48.064 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 42.987 -32.966 -47.870 0.00 0.00 0.014 C ATOM 39 C UNL d 1 43.445 -32.459 -49.242 0.00 0.00 0.015 C ATOM 40 C UNL d 1 43.436 -32.075 -46.707 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 38.321 -31.477 -47.513 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 37.467 -31.862 -47.237 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 40.806 -30.920 -47.815 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 41.429 -30.673 -47.119 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11