REMARK VINA RESULT: -5.8 1.712 3.050 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 3.532 1.860 11.032 0.00 0.00 0.017 A ATOM 2 C UNL d 1 3.977 -1.033 10.871 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 4.337 -0.328 12.053 0.00 0.00 0.025 A ATOM 4 C UNL d 1 4.196 -2.460 10.756 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 3.123 1.122 9.907 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 4.182 1.107 12.048 0.00 0.00 0.089 A ATOM 7 C UNL d 1 3.394 -0.264 9.837 0.00 0.00 0.020 A ATOM 8 C UNL d 1 4.844 -1.082 13.155 0.00 0.00 0.051 A ATOM 9 C UNL d 1 4.754 -3.131 11.856 0.00 0.00 0.107 A ATOM 10 C UNL d 1 5.055 -2.461 13.039 0.00 0.00 0.113 A ATOM 11 C UNL d 1 2.454 1.682 8.671 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 3.305 3.344 11.157 0.00 0.00 0.017 A ATOM 13 C UNL d 1 4.212 4.299 10.663 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 3.928 5.677 10.790 0.00 0.00 0.020 A ATOM 15 C UNL d 1 5.494 4.003 9.923 0.00 0.00 0.049 C ATOM 16 C UNL d 1 2.817 6.218 11.470 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 1.913 5.277 12.043 0.00 0.00 0.025 A ATOM 18 C UNL d 1 2.593 7.642 11.590 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 2.148 3.877 11.785 0.00 0.00 0.089 A ATOM 20 C UNL d 1 0.823 5.790 12.815 0.00 0.00 0.051 A ATOM 21 C UNL d 1 0.608 7.160 12.923 0.00 0.00 0.113 A ATOM 22 C UNL d 1 1.464 8.070 12.306 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 1.120 3.022 12.138 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 0.364 3.140 11.539 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -0.037 4.891 13.628 0.00 0.00 0.273 C ATOM 26 O UNL d 1 0.174 4.613 14.802 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -0.413 7.675 13.681 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -0.552 7.030 14.401 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 1.106 9.380 12.512 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 0.314 9.602 12.004 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 3.576 8.656 10.987 0.00 0.00 0.014 C ATOM 32 C UNL d 1 5.033 8.430 11.407 0.00 0.00 0.015 C ATOM 33 C UNL d 1 3.391 8.810 9.474 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 4.769 1.776 13.108 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 4.284 1.600 13.931 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 5.034 -0.474 14.492 0.00 0.00 0.273 C ATOM 37 O UNL d 1 5.494 -1.064 15.462 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 3.798 -3.228 9.488 0.00 0.00 0.014 C ATOM 39 C UNL d 1 2.475 -2.759 8.872 0.00 0.00 0.015 C ATOM 40 C UNL d 1 4.948 -3.311 8.478 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 5.503 -3.215 14.092 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 6.449 -2.986 14.185 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 5.014 -4.480 11.916 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 5.054 -4.862 11.029 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11