REMARK VINA RESULT: -4.0 2.659 4.642 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 12.019 43.134 24.104 0.00 0.00 0.017 A ATOM 2 C UNL d 1 11.025 40.499 24.920 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 10.918 40.905 23.561 0.00 0.00 0.025 A ATOM 4 C UNL d 1 10.532 39.210 25.357 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 12.174 42.673 25.424 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 11.338 42.244 23.228 0.00 0.00 0.089 A ATOM 7 C UNL d 1 11.641 41.419 25.800 0.00 0.00 0.020 A ATOM 8 C UNL d 1 10.385 39.969 22.622 0.00 0.00 0.051 A ATOM 9 C UNL d 1 9.964 38.361 24.392 0.00 0.00 0.107 A ATOM 10 C UNL d 1 9.909 38.724 23.049 0.00 0.00 0.113 A ATOM 11 C UNL d 1 12.816 43.436 26.562 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 12.532 44.474 23.645 0.00 0.00 0.017 A ATOM 13 C UNL d 1 13.893 44.724 23.395 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 14.307 45.996 22.943 0.00 0.00 0.020 A ATOM 15 C UNL d 1 15.013 43.719 23.506 0.00 0.00 0.049 C ATOM 16 C UNL d 1 13.465 47.118 22.792 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 12.090 46.917 23.104 0.00 0.00 0.025 A ATOM 18 C UNL d 1 13.953 48.406 22.349 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 11.664 45.579 23.432 0.00 0.00 0.089 A ATOM 20 C UNL d 1 11.224 48.054 23.047 0.00 0.00 0.051 A ATOM 21 C UNL d 1 11.696 49.290 22.615 0.00 0.00 0.113 A ATOM 22 C UNL d 1 13.030 49.459 22.253 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 10.297 45.377 23.477 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 9.835 46.228 23.563 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 9.831 47.991 23.564 0.00 0.00 0.273 C ATOM 26 O UNL d 1 9.538 47.997 24.753 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 10.891 50.400 22.580 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 11.490 51.149 22.391 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 13.326 50.738 21.849 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 13.042 50.884 20.937 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 15.439 48.628 22.028 0.00 0.00 0.014 C ATOM 32 C UNL d 1 15.813 48.304 20.577 0.00 0.00 0.015 C ATOM 33 C UNL d 1 15.932 50.000 22.497 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 10.990 42.685 21.962 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 11.216 43.624 21.857 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 10.439 40.214 21.162 0.00 0.00 0.273 C ATOM 37 O UNL d 1 10.859 39.408 20.340 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 10.657 38.761 26.820 0.00 0.00 0.014 C ATOM 39 C UNL d 1 12.086 38.386 27.230 0.00 0.00 0.015 C ATOM 40 C UNL d 1 9.981 39.742 27.783 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 9.428 37.792 22.166 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 9.076 38.309 21.415 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 9.462 37.104 24.636 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 8.598 37.156 25.064 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11