REMARK VINA RESULT: -4.6 3.471 6.193 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 -4.269 -5.252 1.276 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -2.437 -7.264 0.187 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -1.991 -6.383 1.211 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -1.552 -8.260 -0.380 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -4.699 -6.185 0.315 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -2.901 -5.353 1.649 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -3.781 -7.112 -0.228 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -0.670 -6.565 1.722 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -0.245 -8.346 0.128 0.00 0.00 0.107 A ATOM 10 C UNL d 1 0.183 -7.528 1.171 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -6.085 -6.267 -0.286 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -5.187 -4.215 1.870 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -5.727 -4.326 3.164 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -6.562 -3.307 3.673 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -5.453 -5.440 4.145 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -7.000 -2.179 2.947 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -6.527 -2.072 1.608 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -7.878 -1.179 3.515 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -5.568 -3.049 1.154 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -7.020 -0.988 0.815 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -7.861 -0.026 1.366 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -8.267 -0.108 2.696 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -4.947 -2.767 -0.049 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -4.164 -3.331 -0.164 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -6.760 -0.920 -0.647 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -7.636 -0.853 -1.500 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -8.370 1.005 0.618 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -8.999 0.589 -0.004 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -9.092 0.922 3.077 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -9.732 1.123 2.381 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -8.402 -1.303 4.953 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -8.198 -0.038 5.796 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -9.832 -1.850 5.003 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -2.351 -4.371 2.455 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -2.431 -4.619 3.392 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -0.198 -5.849 2.931 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -0.529 -6.130 4.076 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -2.032 -9.223 -1.476 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -3.506 -9.041 -1.854 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -1.088 -9.240 -2.682 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 1.441 -7.750 1.667 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 1.466 -8.702 1.883 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 0.713 -9.239 -0.289 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 0.816 -9.210 -1.249 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11