REMARK VINA RESULT: -6.1 1.941 3.530 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 13.394 3.921 -9.607 0.00 0.00 0.017 A ATOM 2 C UNL d 1 12.886 6.621 -10.630 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 13.854 5.795 -11.265 0.00 0.00 0.025 A ATOM 4 C UNL d 1 12.622 7.964 -11.103 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 12.393 4.737 -9.047 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 14.132 4.511 -10.670 0.00 0.00 0.089 A ATOM 7 C UNL d 1 12.204 6.052 -9.529 0.00 0.00 0.020 A ATOM 8 C UNL d 1 14.499 6.298 -12.436 0.00 0.00 0.051 A ATOM 9 C UNL d 1 13.335 8.419 -12.225 0.00 0.00 0.107 A ATOM 10 C UNL d 1 14.242 7.597 -12.890 0.00 0.00 0.113 A ATOM 11 C UNL d 1 11.499 4.373 -7.882 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 13.670 2.523 -9.119 0.00 0.00 0.017 A ATOM 13 C UNL d 1 13.073 1.384 -9.688 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 13.393 0.098 -9.200 0.00 0.00 0.020 A ATOM 15 C UNL d 1 12.123 1.375 -10.862 0.00 0.00 0.049 C ATOM 16 C UNL d 1 14.224 -0.166 -8.091 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 14.790 0.971 -7.447 0.00 0.00 0.025 A ATOM 18 C UNL d 1 14.495 -1.507 -7.621 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 14.561 2.265 -8.043 0.00 0.00 0.089 A ATOM 20 C UNL d 1 15.566 0.747 -6.266 0.00 0.00 0.051 A ATOM 21 C UNL d 1 15.829 -0.545 -5.820 0.00 0.00 0.113 A ATOM 22 C UNL d 1 15.321 -1.652 -6.495 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 15.328 3.301 -7.542 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 15.018 3.551 -6.656 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 16.009 1.876 -5.407 0.00 0.00 0.273 C ATOM 26 O UNL d 1 17.174 2.239 -5.294 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 16.545 -0.783 -4.675 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 16.509 0.051 -4.167 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 15.676 -2.849 -5.923 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 15.285 -3.589 -6.406 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 13.871 -2.732 -8.305 0.00 0.00 0.014 C ATOM 32 C UNL d 1 12.442 -2.497 -8.812 0.00 0.00 0.015 C ATOM 33 C UNL d 1 14.802 -3.342 -9.357 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 15.243 3.849 -11.162 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 15.078 2.892 -11.200 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 15.350 5.435 -13.288 0.00 0.00 0.273 C ATOM 37 O UNL d 1 15.221 5.317 -14.501 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 11.569 8.855 -10.430 0.00 0.00 0.014 C ATOM 39 C UNL d 1 12.156 10.092 -9.740 0.00 0.00 0.015 C ATOM 40 C UNL d 1 10.400 9.174 -11.367 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 14.817 8.092 -14.032 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 14.519 7.496 -14.747 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 13.196 9.657 -12.806 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 12.634 10.229 -12.268 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11