REMARK VINA RESULT: 38.6 0.000 0.000 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 21.083 -7.008 -4.117 0.00 0.00 0.017 A ATOM 2 C UNL d 1 19.052 -8.983 -4.872 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 20.431 -9.319 -4.960 0.00 0.00 0.025 A ATOM 4 C UNL d 1 18.025 -9.932 -5.250 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 19.711 -6.734 -3.973 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 21.392 -8.284 -4.665 0.00 0.00 0.089 A ATOM 7 C UNL d 1 18.754 -7.686 -4.391 0.00 0.00 0.020 A ATOM 8 C UNL d 1 20.773 -10.649 -5.354 0.00 0.00 0.051 A ATOM 9 C UNL d 1 18.433 -11.203 -5.685 0.00 0.00 0.107 A ATOM 10 C UNL d 1 19.778 -11.563 -5.719 0.00 0.00 0.113 A ATOM 11 C UNL d 1 19.112 -5.442 -3.462 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 22.154 -6.025 -3.723 0.00 0.00 0.017 A ATOM 13 C UNL d 1 23.207 -5.659 -4.582 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 24.166 -4.713 -4.161 0.00 0.00 0.020 A ATOM 15 C UNL d 1 23.405 -6.146 -5.997 0.00 0.00 0.049 C ATOM 16 C UNL d 1 24.228 -4.134 -2.876 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 23.216 -4.537 -1.958 0.00 0.00 0.025 A ATOM 18 C UNL d 1 25.253 -3.187 -2.495 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 22.168 -5.398 -2.448 0.00 0.00 0.089 A ATOM 20 C UNL d 1 23.298 -4.038 -0.620 0.00 0.00 0.051 A ATOM 21 C UNL d 1 24.283 -3.124 -0.258 0.00 0.00 0.113 A ATOM 22 C UNL d 1 25.230 -2.689 -1.182 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 21.080 -5.557 -1.610 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 21.367 -5.901 -0.748 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 22.424 -4.571 0.458 0.00 0.00 0.273 C ATOM 26 O UNL d 1 21.345 -4.083 0.773 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 24.399 -2.654 1.026 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 25.303 -2.288 1.087 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 26.125 -1.787 -0.661 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 25.792 -0.884 -0.750 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 26.354 -2.766 -3.479 0.00 0.00 0.014 C ATOM 32 C UNL d 1 27.517 -2.013 -2.821 0.00 0.00 0.015 C ATOM 33 C UNL d 1 26.803 -3.925 -4.374 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 22.704 -8.570 -5.000 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 22.947 -8.124 -5.829 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 22.162 -11.156 -5.261 0.00 0.00 0.273 C ATOM 37 O UNL d 1 22.529 -12.249 -5.674 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 16.535 -9.579 -5.143 0.00 0.00 0.014 C ATOM 39 C UNL d 1 15.972 -9.699 -3.722 0.00 0.00 0.015 C ATOM 40 C UNL d 1 16.209 -8.244 -5.820 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 20.074 -12.856 -6.064 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 19.614 -13.408 -5.401 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 17.589 -12.220 -6.067 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 18.064 -12.887 -6.580 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11