REMARK VINA RESULT: -2.4 2.327 9.302 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 31.304 77.822 102.246 0.00 0.00 0.017 A ATOM 2 C UNL d 1 29.554 79.412 100.512 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 29.062 78.922 101.754 0.00 0.00 0.025 A ATOM 4 C UNL d 1 28.710 80.189 99.628 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 31.780 78.381 101.046 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 29.931 78.069 102.527 0.00 0.00 0.089 A ATOM 7 C UNL d 1 30.900 79.102 100.206 0.00 0.00 0.020 A ATOM 8 C UNL d 1 27.738 79.289 102.141 0.00 0.00 0.051 A ATOM 9 C UNL d 1 27.398 80.464 100.044 0.00 0.00 0.107 A ATOM 10 C UNL d 1 26.925 80.040 101.284 0.00 0.00 0.113 A ATOM 11 C UNL d 1 33.179 78.232 100.489 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 32.178 77.014 103.169 0.00 0.00 0.017 A ATOM 13 C UNL d 1 33.385 77.505 103.699 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 34.147 76.707 104.580 0.00 0.00 0.020 A ATOM 15 C UNL d 1 33.959 78.882 103.468 0.00 0.00 0.049 C ATOM 16 C UNL d 1 33.851 75.372 104.929 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 32.671 74.821 104.353 0.00 0.00 0.025 A ATOM 18 C UNL d 1 34.686 74.594 105.818 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 31.835 75.695 103.567 0.00 0.00 0.089 A ATOM 20 C UNL d 1 32.386 73.444 104.615 0.00 0.00 0.051 A ATOM 21 C UNL d 1 33.189 72.700 105.475 0.00 0.00 0.113 A ATOM 22 C UNL d 1 34.306 73.269 106.082 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 30.585 75.199 103.243 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 29.906 75.879 103.385 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 31.307 72.726 103.886 0.00 0.00 0.273 C ATOM 26 O UNL d 1 30.299 72.276 104.418 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 32.952 71.371 105.718 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 33.156 71.240 106.665 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 34.984 72.398 106.899 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 34.706 72.506 107.819 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 35.967 75.183 106.426 0.00 0.00 0.014 C ATOM 32 C UNL d 1 36.526 76.382 105.649 0.00 0.00 0.015 C ATOM 33 C UNL d 1 35.829 75.439 107.930 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 29.338 77.416 103.593 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 29.591 77.837 104.432 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 27.221 79.017 103.503 0.00 0.00 0.273 C ATOM 37 O UNL d 1 26.266 78.290 103.749 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 29.240 80.732 98.293 0.00 0.00 0.014 C ATOM 39 C UNL d 1 28.956 82.223 98.076 0.00 0.00 0.015 C ATOM 40 C UNL d 1 30.704 80.347 98.054 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 25.665 80.439 101.646 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 25.726 80.643 102.599 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 26.475 81.195 99.333 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 25.902 80.615 98.815 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11