REMARK VINA RESULT: -2.3 2.315 4.369 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 32.172 77.058 103.208 0.00 0.00 0.017 A ATOM 2 C UNL d 1 33.835 75.437 104.998 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 32.664 74.874 104.417 0.00 0.00 0.025 A ATOM 4 C UNL d 1 34.669 74.665 105.895 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 33.374 77.560 103.741 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 31.832 75.739 103.618 0.00 0.00 0.089 A ATOM 7 C UNL d 1 34.129 76.773 104.639 0.00 0.00 0.020 A ATOM 8 C UNL d 1 32.380 73.499 104.680 0.00 0.00 0.051 A ATOM 9 C UNL d 1 34.299 73.336 106.159 0.00 0.00 0.107 A ATOM 10 C UNL d 1 33.189 72.757 105.550 0.00 0.00 0.113 A ATOM 11 C UNL d 1 33.942 78.942 103.505 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 31.303 77.856 102.272 0.00 0.00 0.017 A ATOM 13 C UNL d 1 31.780 78.403 101.067 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 30.907 79.121 100.221 0.00 0.00 0.020 A ATOM 15 C UNL d 1 33.178 78.252 100.518 0.00 0.00 0.049 C ATOM 16 C UNL d 1 29.563 79.433 100.517 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 29.068 78.954 101.764 0.00 0.00 0.025 A ATOM 18 C UNL d 1 28.723 80.197 99.620 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 29.932 78.108 102.549 0.00 0.00 0.089 A ATOM 20 C UNL d 1 27.738 79.326 102.137 0.00 0.00 0.051 A ATOM 21 C UNL d 1 26.932 80.056 101.269 0.00 0.00 0.113 A ATOM 22 C UNL d 1 27.407 80.466 100.025 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 29.333 77.461 103.615 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 28.395 77.708 103.674 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 27.216 79.061 103.503 0.00 0.00 0.273 C ATOM 26 O UNL d 1 26.633 78.034 103.830 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 25.664 80.449 101.616 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 25.269 79.679 102.070 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 26.482 81.174 99.296 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 25.992 80.587 98.704 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 29.262 80.729 98.284 0.00 0.00 0.014 C ATOM 32 C UNL d 1 28.983 82.219 98.054 0.00 0.00 0.015 C ATOM 33 C UNL d 1 30.725 80.336 98.054 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 30.588 75.233 103.281 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 29.886 75.743 103.719 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 31.317 72.769 103.950 0.00 0.00 0.273 C ATOM 37 O UNL d 1 30.235 72.457 104.432 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 35.941 75.263 106.513 0.00 0.00 0.014 C ATOM 39 C UNL d 1 36.646 76.282 105.610 0.00 0.00 0.015 C ATOM 40 C UNL d 1 35.705 75.770 107.940 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 32.963 71.427 105.790 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 32.891 71.352 106.762 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 34.985 72.467 106.974 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 34.904 71.559 106.655 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11