REMARK VINA RESULT: -4.8 1.801 3.063 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 -4.567 -4.315 2.896 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -3.653 -5.254 5.519 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -2.736 -4.615 4.638 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -3.229 -5.740 6.816 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -5.462 -4.886 3.819 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -3.212 -4.254 3.325 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -4.984 -5.374 5.056 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -1.404 -4.393 5.104 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -1.889 -5.542 7.187 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -0.998 -4.865 6.357 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -6.942 -5.112 3.598 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -5.004 -3.807 1.548 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -4.539 -4.354 0.338 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -5.006 -3.848 -0.894 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -3.591 -5.522 0.202 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -5.866 -2.740 -1.043 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -6.301 -2.117 0.162 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -6.291 -2.250 -2.336 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -5.923 -2.732 1.411 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -7.103 -0.938 0.047 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -7.514 -0.473 -1.198 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -7.133 -1.127 -2.367 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -6.569 -2.253 2.536 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -6.184 -2.645 3.337 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -7.418 -0.100 1.234 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -8.362 -0.302 1.988 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -8.258 0.671 -1.334 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -8.237 0.882 -2.288 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -7.626 -0.538 -3.506 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -7.953 0.352 -3.317 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -5.809 -2.911 -3.636 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -5.846 -4.444 -3.601 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -6.481 -2.309 -4.874 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -2.239 -3.869 2.420 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -1.689 -4.630 2.169 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -0.448 -3.545 4.353 0.00 0.00 0.273 C ATOM 37 O UNL d 1 0.127 -2.570 4.820 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -4.217 -6.418 7.776 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -5.213 -5.449 8.421 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -4.879 -7.648 7.147 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 0.262 -4.632 6.845 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 0.865 -4.860 6.111 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -1.330 -5.929 8.382 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -1.898 -5.682 9.124 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11