REMARK VINA RESULT: -4.3 2.279 9.338 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 -1.829 -17.296 6.396 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -2.411 -14.503 7.073 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -3.284 -15.217 6.205 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -2.665 -13.120 7.416 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -1.028 -16.584 7.308 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -2.904 -16.557 5.830 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -1.304 -15.225 7.578 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -4.462 -14.553 5.746 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -3.812 -12.509 6.883 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -4.704 -13.215 6.080 0.00 0.00 0.113 A ATOM 11 C UNL d 1 0.200 -17.115 8.015 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -1.569 -18.736 6.038 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -2.162 -19.811 6.724 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -1.897 -21.139 6.323 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -3.147 -19.700 7.863 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -0.988 -21.516 5.312 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -0.317 -20.452 4.644 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -0.738 -22.897 4.963 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -0.703 -19.102 4.973 0.00 0.00 0.089 A ATOM 20 C UNL d 1 0.676 -20.799 3.674 0.00 0.00 0.051 A ATOM 21 C UNL d 1 0.910 -22.129 3.337 0.00 0.00 0.113 A ATOM 22 C UNL d 1 0.202 -23.158 3.954 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -0.219 -18.117 4.132 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 0.438 -18.489 3.521 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 1.577 -19.772 3.089 0.00 0.00 0.273 C ATOM 26 O UNL d 1 1.569 -19.441 1.910 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 1.876 -22.487 2.433 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 2.716 -22.475 2.932 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 0.554 -24.407 3.503 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -0.140 -25.050 3.700 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -1.449 -24.045 5.695 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -1.088 -24.147 7.182 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -2.958 -24.053 5.429 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -3.636 -17.122 4.800 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -3.280 -16.843 3.939 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -5.534 -15.279 5.026 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -5.807 -15.116 3.843 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -1.735 -12.349 8.364 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -1.047 -11.146 7.710 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -2.417 -12.016 9.695 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -5.845 -12.566 5.686 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -5.547 -11.684 5.388 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -4.204 -11.212 7.118 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -4.310 -11.051 8.064 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11