REMARK VINA RESULT: -5.5 2.988 8.603 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 42.180 67.150 55.256 0.00 0.00 0.017 A ATOM 2 C UNL d 1 40.076 69.124 54.730 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 41.379 69.560 55.100 0.00 0.00 0.025 A ATOM 4 C UNL d 1 39.013 70.074 54.477 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 40.902 66.755 54.819 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 42.352 68.550 55.436 0.00 0.00 0.089 A ATOM 7 C UNL d 1 39.894 67.725 54.620 0.00 0.00 0.020 A ATOM 8 C UNL d 1 41.630 70.966 55.133 0.00 0.00 0.051 A ATOM 9 C UNL d 1 39.313 71.441 54.585 0.00 0.00 0.107 A ATOM 10 C UNL d 1 40.599 71.881 54.888 0.00 0.00 0.113 A ATOM 11 C UNL d 1 40.441 65.332 54.594 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 43.289 66.166 55.518 0.00 0.00 0.017 A ATOM 13 C UNL d 1 44.263 65.839 54.557 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 45.292 64.926 54.874 0.00 0.00 0.020 A ATOM 15 C UNL d 1 44.372 66.429 53.172 0.00 0.00 0.049 C ATOM 16 C UNL d 1 45.398 64.210 56.085 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 44.387 64.465 57.055 0.00 0.00 0.025 A ATOM 18 C UNL d 1 46.463 63.266 56.343 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 43.424 65.500 56.766 0.00 0.00 0.089 A ATOM 20 C UNL d 1 44.412 63.693 58.259 0.00 0.00 0.051 A ATOM 21 C UNL d 1 45.441 62.790 58.506 0.00 0.00 0.113 A ATOM 22 C UNL d 1 46.459 62.594 57.575 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 42.625 65.890 57.825 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 42.687 66.851 57.958 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 43.282 63.731 59.225 0.00 0.00 0.273 C ATOM 26 O UNL d 1 43.368 64.166 60.367 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 45.471 62.017 59.639 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 44.573 62.082 60.021 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 47.394 61.671 57.977 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 47.119 61.240 58.798 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 47.544 62.978 55.291 0.00 0.00 0.014 C ATOM 32 C UNL d 1 47.033 62.188 54.080 0.00 0.00 0.015 C ATOM 33 C UNL d 1 48.332 64.236 54.913 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 43.516 69.012 56.025 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 43.323 69.755 56.621 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 42.999 71.509 55.287 0.00 0.00 0.273 C ATOM 37 O UNL d 1 43.395 72.122 56.272 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 37.609 69.608 54.065 0.00 0.00 0.014 C ATOM 39 C UNL d 1 37.505 69.191 52.593 0.00 0.00 0.015 C ATOM 40 C UNL d 1 37.037 68.571 55.036 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 40.820 73.234 54.875 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 41.785 73.334 54.760 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 38.425 72.469 54.366 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 38.262 72.587 53.422 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11