REMARK VINA RESULT: -3.2 1.818 8.993 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 12.218 44.731 22.995 0.00 0.00 0.017 A ATOM 2 C UNL d 1 13.226 47.238 21.854 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 11.860 47.136 22.243 0.00 0.00 0.025 A ATOM 4 C UNL d 1 13.750 48.458 21.277 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 13.578 44.889 22.668 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 11.393 45.855 22.713 0.00 0.00 0.089 A ATOM 7 C UNL d 1 14.025 46.092 22.074 0.00 0.00 0.020 A ATOM 8 C UNL d 1 11.041 48.300 22.122 0.00 0.00 0.051 A ATOM 9 C UNL d 1 12.874 49.546 21.131 0.00 0.00 0.107 A ATOM 10 C UNL d 1 11.552 49.477 21.563 0.00 0.00 0.113 A ATOM 11 C UNL d 1 14.656 43.840 22.821 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 11.670 43.465 23.598 0.00 0.00 0.017 A ATOM 13 C UNL d 1 11.224 42.380 22.820 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 10.743 41.211 23.447 0.00 0.00 0.020 A ATOM 15 C UNL d 1 11.258 42.298 21.313 0.00 0.00 0.049 C ATOM 16 C UNL d 1 10.575 41.045 24.838 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 10.951 42.152 25.651 0.00 0.00 0.025 A ATOM 18 C UNL d 1 10.051 39.829 25.422 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 11.567 43.283 25.003 0.00 0.00 0.089 A ATOM 20 C UNL d 1 10.713 42.053 27.058 0.00 0.00 0.051 A ATOM 21 C UNL d 1 10.214 40.880 27.617 0.00 0.00 0.113 A ATOM 22 C UNL d 1 9.908 39.781 26.817 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 12.145 44.217 25.844 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 11.634 45.043 25.831 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 10.866 43.230 27.953 0.00 0.00 0.273 C ATOM 26 O UNL d 1 11.857 43.448 28.640 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 9.950 40.772 28.958 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 9.906 39.812 29.138 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 9.428 38.708 27.528 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 9.261 38.953 28.448 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 9.629 38.642 24.544 0.00 0.00 0.014 C ATOM 32 C UNL d 1 9.433 39.004 23.066 0.00 0.00 0.015 C ATOM 33 C UNL d 1 10.523 37.417 24.761 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 10.021 45.727 22.841 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 9.570 46.152 22.092 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 9.679 48.357 22.702 0.00 0.00 0.273 C ATOM 37 O UNL d 1 9.438 48.560 23.886 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 15.225 48.578 20.869 0.00 0.00 0.014 C ATOM 39 C UNL d 1 16.203 48.416 22.038 0.00 0.00 0.015 C ATOM 40 C UNL d 1 15.563 47.697 19.662 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 10.800 50.620 21.470 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 11.418 51.306 21.151 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 13.213 50.775 20.615 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 12.428 51.248 20.310 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11