REMARK VINA RESULT: -3.9 2.080 4.322 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 12.364 45.052 25.545 0.00 0.00 0.017 A ATOM 2 C UNL d 1 11.093 43.528 27.703 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 11.316 42.913 26.440 0.00 0.00 0.025 A ATOM 4 C UNL d 1 10.455 42.806 28.784 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 12.194 45.607 26.827 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 11.861 43.732 25.384 0.00 0.00 0.089 A ATOM 7 C UNL d 1 11.534 44.865 27.833 0.00 0.00 0.020 A ATOM 8 C UNL d 1 10.969 41.535 26.295 0.00 0.00 0.051 A ATOM 9 C UNL d 1 10.084 41.470 28.555 0.00 0.00 0.107 A ATOM 10 C UNL d 1 10.352 40.841 27.342 0.00 0.00 0.113 A ATOM 11 C UNL d 1 12.595 47.002 27.252 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 13.028 45.799 24.419 0.00 0.00 0.017 A ATOM 13 C UNL d 1 14.309 45.472 23.936 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 14.866 46.196 22.860 0.00 0.00 0.020 A ATOM 15 C UNL d 1 15.176 44.338 24.426 0.00 0.00 0.049 C ATOM 16 C UNL d 1 14.277 47.323 22.248 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 13.010 47.724 22.759 0.00 0.00 0.025 A ATOM 18 C UNL d 1 14.910 48.041 21.163 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 12.397 46.891 23.764 0.00 0.00 0.089 A ATOM 20 C UNL d 1 12.425 48.913 22.222 0.00 0.00 0.051 A ATOM 21 C UNL d 1 13.034 49.599 21.176 0.00 0.00 0.113 A ATOM 22 C UNL d 1 14.243 49.161 20.641 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 11.072 47.168 24.047 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 10.990 47.546 24.938 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 11.221 49.529 22.841 0.00 0.00 0.273 C ATOM 26 O UNL d 1 10.101 49.498 22.345 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 12.506 50.757 20.664 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 11.817 50.472 20.033 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 14.703 49.950 19.615 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 14.987 50.812 19.948 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 16.284 47.619 20.623 0.00 0.00 0.014 C ATOM 32 C UNL d 1 17.357 47.470 21.709 0.00 0.00 0.015 C ATOM 33 C UNL d 1 16.190 46.411 19.685 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 11.831 43.176 24.117 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 11.768 42.208 24.173 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 11.365 40.754 25.100 0.00 0.00 0.273 C ATOM 37 O UNL d 1 11.882 39.644 25.138 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 10.224 43.460 30.153 0.00 0.00 0.014 C ATOM 39 C UNL d 1 11.486 43.540 31.020 0.00 0.00 0.015 C ATOM 40 C UNL d 1 9.477 44.792 30.037 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 10.043 39.509 27.244 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 9.091 39.483 27.027 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 9.484 40.644 29.475 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 9.811 40.825 30.365 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11