REMARK VINA RESULT: -5.5 2.438 9.483 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 14.356 4.209 -11.412 0.00 0.00 0.017 A ATOM 2 C UNL d 1 14.574 1.951 -9.556 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 13.424 2.787 -9.520 0.00 0.00 0.025 A ATOM 4 C UNL d 1 14.717 0.835 -8.644 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 15.445 3.321 -11.470 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 13.405 3.937 -10.390 0.00 0.00 0.089 A ATOM 7 C UNL d 1 15.548 2.270 -10.531 0.00 0.00 0.020 A ATOM 8 C UNL d 1 12.375 2.444 -8.612 0.00 0.00 0.051 A ATOM 9 C UNL d 1 13.674 0.590 -7.736 0.00 0.00 0.107 A ATOM 10 C UNL d 1 12.518 1.365 -7.732 0.00 0.00 0.113 A ATOM 11 C UNL d 1 16.614 3.410 -12.427 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 14.202 5.370 -12.360 0.00 0.00 0.017 A ATOM 13 C UNL d 1 15.018 6.514 -12.305 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 14.839 7.558 -13.238 0.00 0.00 0.020 A ATOM 15 C UNL d 1 16.163 6.739 -11.346 0.00 0.00 0.049 C ATOM 16 C UNL d 1 13.820 7.609 -14.213 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 12.932 6.497 -14.251 0.00 0.00 0.025 A ATOM 18 C UNL d 1 13.671 8.720 -15.128 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 13.214 5.381 -13.382 0.00 0.00 0.089 A ATOM 20 C UNL d 1 11.834 6.555 -15.167 0.00 0.00 0.051 A ATOM 21 C UNL d 1 11.697 7.623 -16.048 0.00 0.00 0.113 A ATOM 22 C UNL d 1 12.609 8.676 -16.044 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 12.489 4.230 -13.627 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 12.717 3.868 -14.499 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 10.738 5.552 -15.124 0.00 0.00 0.273 C ATOM 26 O UNL d 1 10.568 4.682 -15.971 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 10.637 7.715 -16.915 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 9.841 7.572 -16.367 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 12.327 9.644 -16.977 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 12.908 9.559 -17.745 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 14.619 9.928 -15.076 0.00 0.00 0.014 C ATOM 32 C UNL d 1 15.339 10.091 -13.731 0.00 0.00 0.015 C ATOM 33 C UNL d 1 15.558 9.976 -16.285 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 12.397 4.854 -10.150 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 12.181 4.880 -9.203 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 11.056 3.116 -8.657 0.00 0.00 0.273 C ATOM 37 O UNL d 1 10.644 3.891 -7.803 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 15.950 -0.078 -8.688 0.00 0.00 0.014 C ATOM 39 C UNL d 1 16.840 0.025 -7.444 0.00 0.00 0.015 C ATOM 40 C UNL d 1 15.587 -1.519 -9.063 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 11.513 0.990 -6.878 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 10.890 0.476 -7.427 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 13.647 -0.431 -6.815 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 12.753 -0.562 -6.473 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11