REMARK VINA RESULT: -2.7 1.219 9.085 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 30.522 76.406 103.447 0.00 0.00 0.017 A ATOM 2 C UNL d 1 28.591 77.690 101.653 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 29.977 77.710 101.331 0.00 0.00 0.025 A ATOM 4 C UNL d 1 27.615 78.327 100.794 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 29.139 76.342 103.699 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 30.894 77.144 102.290 0.00 0.00 0.089 A ATOM 7 C UNL d 1 28.236 77.013 102.843 0.00 0.00 0.020 A ATOM 8 C UNL d 1 30.368 78.304 100.093 0.00 0.00 0.051 A ATOM 9 C UNL d 1 28.075 78.945 99.620 0.00 0.00 0.107 A ATOM 10 C UNL d 1 29.421 78.919 99.265 0.00 0.00 0.113 A ATOM 11 C UNL d 1 28.481 75.664 104.880 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 31.541 75.744 104.337 0.00 0.00 0.017 A ATOM 13 C UNL d 1 31.696 74.347 104.412 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 32.688 73.789 105.248 0.00 0.00 0.020 A ATOM 15 C UNL d 1 30.922 73.327 103.614 0.00 0.00 0.049 C ATOM 16 C UNL d 1 33.519 74.521 106.122 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 33.340 75.934 106.122 0.00 0.00 0.025 A ATOM 18 C UNL d 1 34.501 73.889 106.976 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 32.419 76.494 105.164 0.00 0.00 0.089 A ATOM 20 C UNL d 1 34.103 76.699 107.059 0.00 0.00 0.051 A ATOM 21 C UNL d 1 35.051 76.089 107.875 0.00 0.00 0.113 A ATOM 22 C UNL d 1 35.261 74.713 107.821 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 32.463 77.869 105.023 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 33.224 78.128 104.477 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 33.826 78.142 107.285 0.00 0.00 0.273 C ATOM 26 O UNL d 1 33.117 78.574 108.186 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 35.774 76.797 108.801 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 35.563 77.737 108.630 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 36.232 74.276 108.690 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 35.836 73.952 109.510 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 34.684 72.364 106.988 0.00 0.00 0.014 C ATOM 32 C UNL d 1 35.965 71.889 106.291 0.00 0.00 0.015 C ATOM 33 C UNL d 1 34.490 71.770 108.387 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 32.235 77.403 102.062 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 32.439 77.325 101.116 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 31.749 78.176 99.570 0.00 0.00 0.273 C ATOM 37 O UNL d 1 32.562 79.091 99.530 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 26.117 78.297 101.130 0.00 0.00 0.014 C ATOM 39 C UNL d 1 25.664 77.003 101.816 0.00 0.00 0.015 C ATOM 40 C UNL d 1 25.664 79.566 101.858 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 29.762 79.462 98.054 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 30.164 78.728 97.549 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 27.282 79.581 98.694 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 27.816 79.947 97.977 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11