REMARK VINA RESULT: -5.7 0.082 9.240 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 9.612 -15.664 6.935 0.00 0.00 0.017 A ATOM 2 C UNL d 1 11.701 -14.071 8.236 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 10.515 -13.437 7.772 0.00 0.00 0.025 A ATOM 4 C UNL d 1 12.757 -13.309 8.871 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 10.764 -16.270 7.469 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 9.559 -14.248 7.058 0.00 0.00 0.089 A ATOM 7 C UNL d 1 11.777 -15.471 8.047 0.00 0.00 0.020 A ATOM 8 C UNL d 1 10.359 -12.040 8.025 0.00 0.00 0.051 A ATOM 9 C UNL d 1 12.564 -11.928 9.035 0.00 0.00 0.107 A ATOM 10 C UNL d 1 11.382 -11.308 8.639 0.00 0.00 0.113 A ATOM 11 C UNL d 1 11.091 -17.746 7.430 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 8.511 -16.453 6.276 0.00 0.00 0.017 A ATOM 13 C UNL d 1 8.523 -16.784 4.909 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 7.472 -17.547 4.356 0.00 0.00 0.020 A ATOM 15 C UNL d 1 9.619 -16.448 3.926 0.00 0.00 0.049 C ATOM 16 C UNL d 1 6.313 -17.957 5.050 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 6.237 -17.577 6.420 0.00 0.00 0.025 A ATOM 18 C UNL d 1 5.255 -18.717 4.421 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 7.381 -16.918 7.000 0.00 0.00 0.089 A ATOM 20 C UNL d 1 5.038 -17.899 7.131 0.00 0.00 0.051 A ATOM 21 C UNL d 1 4.024 -18.634 6.525 0.00 0.00 0.113 A ATOM 22 C UNL d 1 4.138 -19.054 5.202 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 7.370 -16.796 8.378 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 7.305 -15.861 8.633 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 4.776 -17.355 8.490 0.00 0.00 0.273 C ATOM 26 O UNL d 1 4.769 -18.031 9.512 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 2.854 -18.930 7.177 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 2.263 -19.301 6.494 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 3.051 -19.769 4.762 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 3.110 -19.930 3.810 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 5.330 -19.112 2.939 0.00 0.00 0.014 C ATOM 32 C UNL d 1 6.020 -20.459 2.692 0.00 0.00 0.015 C ATOM 33 C UNL d 1 3.975 -18.978 2.237 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 8.549 -13.556 6.412 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 7.896 -13.233 7.054 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 9.074 -11.343 7.782 0.00 0.00 0.273 C ATOM 37 O UNL d 1 8.975 -10.166 7.460 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 14.033 -13.990 9.385 0.00 0.00 0.014 C ATOM 39 C UNL d 1 15.314 -13.495 8.705 0.00 0.00 0.015 C ATOM 40 C UNL d 1 14.111 -13.986 10.916 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 11.244 -9.975 8.929 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 11.617 -9.506 8.157 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 13.457 -11.066 9.626 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 13.573 -11.279 10.561 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11