REMARK VINA RESULT: -5.4 1.637 2.980 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 8.321 -16.399 5.929 0.00 0.00 0.017 A ATOM 2 C UNL d 1 6.457 -18.385 4.843 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 6.370 -18.008 6.212 0.00 0.00 0.025 A ATOM 4 C UNL d 1 5.560 -19.372 4.281 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 8.333 -16.740 4.564 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 7.366 -17.097 6.719 0.00 0.00 0.089 A ATOM 7 C UNL d 1 7.455 -17.737 4.079 0.00 0.00 0.020 A ATOM 8 C UNL d 1 5.317 -18.571 6.996 0.00 0.00 0.051 A ATOM 9 C UNL d 1 4.585 -19.931 5.123 0.00 0.00 0.107 A ATOM 10 C UNL d 1 4.452 -19.526 6.449 0.00 0.00 0.113 A ATOM 11 C UNL d 1 9.274 -16.185 3.517 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 9.251 -15.371 6.517 0.00 0.00 0.017 A ATOM 13 C UNL d 1 9.129 -13.994 6.258 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 10.019 -13.078 6.861 0.00 0.00 0.020 A ATOM 15 C UNL d 1 8.063 -13.344 5.409 0.00 0.00 0.049 C ATOM 16 C UNL d 1 11.123 -13.430 7.666 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 11.317 -14.822 7.892 0.00 0.00 0.025 A ATOM 18 C UNL d 1 12.018 -12.446 8.236 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 10.320 -15.731 7.382 0.00 0.00 0.089 A ATOM 20 C UNL d 1 12.476 -15.220 8.630 0.00 0.00 0.051 A ATOM 21 C UNL d 1 13.331 -14.270 9.182 0.00 0.00 0.113 A ATOM 22 C UNL d 1 13.096 -12.909 9.006 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 10.407 -17.034 7.835 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 10.212 -17.073 8.786 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 12.878 -16.648 8.727 0.00 0.00 0.273 C ATOM 26 O UNL d 1 12.846 -17.303 9.762 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 14.463 -14.627 9.868 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 14.758 -13.814 10.323 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 14.033 -12.111 9.616 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 13.967 -12.180 10.578 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 11.819 -10.945 7.979 0.00 0.00 0.014 C ATOM 32 C UNL d 1 11.392 -10.155 9.222 0.00 0.00 0.015 C ATOM 33 C UNL d 1 13.006 -10.324 7.236 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 7.401 -16.951 8.095 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 7.087 -16.067 8.350 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 5.011 -18.076 8.359 0.00 0.00 0.273 C ATOM 37 O UNL d 1 5.202 -18.714 9.386 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 5.640 -19.773 2.801 0.00 0.00 0.014 C ATOM 39 C UNL d 1 5.983 -21.250 2.578 0.00 0.00 0.015 C ATOM 40 C UNL d 1 4.415 -19.303 2.009 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 3.410 -20.054 7.166 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 3.828 -20.617 7.846 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 3.651 -20.868 4.746 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 2.773 -20.471 4.681 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11