REMARK VINA RESULT: -5.4 1.630 9.283 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 9.231 -15.373 6.538 0.00 0.00 0.017 A ATOM 2 C UNL d 1 11.103 -13.441 7.701 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 11.298 -14.833 7.919 0.00 0.00 0.025 A ATOM 4 C UNL d 1 12.003 -12.461 8.273 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 9.108 -13.995 6.283 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 10.300 -15.737 7.402 0.00 0.00 0.089 A ATOM 7 C UNL d 1 9.996 -13.083 6.897 0.00 0.00 0.020 A ATOM 8 C UNL d 1 12.456 -15.241 8.649 0.00 0.00 0.051 A ATOM 9 C UNL d 1 13.089 -12.928 9.032 0.00 0.00 0.107 A ATOM 10 C UNL d 1 13.323 -14.291 9.201 0.00 0.00 0.113 A ATOM 11 C UNL d 1 8.036 -13.339 5.440 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 8.298 -16.396 5.943 0.00 0.00 0.017 A ATOM 13 C UNL d 1 8.327 -16.756 4.584 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 7.441 -17.740 4.093 0.00 0.00 0.020 A ATOM 15 C UNL d 1 9.286 -16.223 3.547 0.00 0.00 0.049 C ATOM 16 C UNL d 1 6.425 -18.366 4.845 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 6.323 -17.973 6.210 0.00 0.00 0.025 A ATOM 18 C UNL d 1 5.529 -19.351 4.279 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 7.322 -17.069 6.726 0.00 0.00 0.089 A ATOM 20 C UNL d 1 5.249 -18.521 6.980 0.00 0.00 0.051 A ATOM 21 C UNL d 1 4.393 -19.472 6.434 0.00 0.00 0.113 A ATOM 22 C UNL d 1 4.541 -19.895 5.115 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 7.340 -16.914 8.100 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 7.791 -16.087 8.340 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 4.931 -18.007 8.338 0.00 0.00 0.273 C ATOM 26 O UNL d 1 5.102 -18.642 9.372 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 3.339 -19.990 7.143 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 2.551 -19.506 6.828 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 3.616 -20.837 4.738 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 2.726 -20.457 4.727 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 5.628 -19.762 2.803 0.00 0.00 0.014 C ATOM 32 C UNL d 1 5.995 -21.237 2.596 0.00 0.00 0.015 C ATOM 33 C UNL d 1 4.406 -19.315 1.995 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 10.390 -17.046 7.843 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 9.641 -17.260 8.424 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 12.861 -16.664 8.735 0.00 0.00 0.273 C ATOM 37 O UNL d 1 12.838 -17.329 9.763 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 11.805 -10.958 8.031 0.00 0.00 0.014 C ATOM 39 C UNL d 1 11.387 -10.180 9.284 0.00 0.00 0.015 C ATOM 40 C UNL d 1 12.991 -10.333 7.290 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 14.462 -14.654 9.873 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 14.318 -14.361 10.794 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 14.039 -12.136 9.631 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 14.926 -12.378 9.334 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11