REMARK VINA RESULT: -2.0 2.620 4.085 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 -8.677 -2.827 4.535 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -9.835 -4.322 6.776 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -10.353 -4.502 5.463 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -10.394 -5.036 7.905 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -8.142 -2.727 5.832 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -9.811 -3.677 4.411 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -8.751 -3.421 6.902 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -11.386 -5.471 5.278 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -11.449 -5.930 7.662 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -11.924 -6.158 6.373 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -6.972 -1.861 6.247 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -8.098 -2.088 3.358 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -8.681 -0.924 2.826 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -8.075 -0.263 1.735 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -9.914 -0.231 3.353 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -6.938 -0.723 1.037 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -6.362 -1.938 1.507 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -6.376 -0.014 -0.092 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -6.913 -2.523 2.705 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -5.262 -2.479 0.770 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -4.722 -1.792 -0.312 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -5.254 -0.573 -0.724 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -6.175 -3.548 3.266 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -5.659 -3.218 4.021 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -4.742 -3.843 1.050 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -4.872 -4.798 0.293 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -3.686 -2.305 -1.051 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -4.097 -2.658 -1.865 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -4.601 -0.031 -1.804 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -5.214 0.111 -2.538 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -7.006 1.287 -0.609 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -8.369 1.089 -1.284 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -7.003 2.392 0.452 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -10.503 -3.701 3.213 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -10.143 -3.038 2.601 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -11.831 -5.886 3.928 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -11.360 -6.828 3.302 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -9.829 -4.855 9.322 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -8.319 -5.100 9.420 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -10.278 -3.535 9.957 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -12.889 -7.120 6.220 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -12.623 -7.845 6.820 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -12.081 -6.692 8.616 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -12.460 -7.489 8.224 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11