REMARK VINA RESULT: -5.1 4.140 8.721 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 0.861 1.307 10.383 0.00 0.00 0.017 A ATOM 2 C UNL d 1 3.070 3.234 10.411 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 1.954 3.426 11.272 0.00 0.00 0.025 A ATOM 4 C UNL d 1 4.171 4.175 10.392 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 2.012 1.108 9.598 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 0.853 2.501 11.155 0.00 0.00 0.089 A ATOM 7 C UNL d 1 3.039 2.079 9.595 0.00 0.00 0.020 A ATOM 8 C UNL d 1 1.988 4.530 12.177 0.00 0.00 0.051 A ATOM 9 C UNL d 1 4.113 5.273 11.267 0.00 0.00 0.107 A ATOM 10 C UNL d 1 3.053 5.438 12.155 0.00 0.00 0.113 A ATOM 11 C UNL d 1 2.256 -0.050 8.656 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -0.284 0.329 10.407 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -0.143 -1.002 10.839 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -1.262 -1.862 10.860 0.00 0.00 0.020 A ATOM 15 C UNL d 1 1.124 -1.633 11.364 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -2.551 -1.530 10.389 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -2.711 -0.210 9.880 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -3.655 -2.465 10.413 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -1.594 0.695 9.993 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -3.979 0.133 9.314 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -5.041 -0.767 9.343 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -4.889 -2.034 9.901 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -1.867 2.023 9.726 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -2.824 2.157 9.628 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -4.173 1.402 8.565 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -5.054 2.218 8.809 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -6.256 -0.471 8.781 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -6.248 -0.901 7.903 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -6.033 -2.792 9.850 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -5.980 -3.444 9.138 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -3.477 -3.894 10.947 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -4.787 -4.687 11.037 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -2.354 -4.645 10.224 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -0.306 2.861 11.820 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -1.085 2.503 11.362 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 0.985 4.684 13.256 0.00 0.00 0.273 C ATOM 37 O UNL d 1 0.272 5.669 13.404 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 5.384 3.965 9.476 0.00 0.00 0.014 C ATOM 39 C UNL d 1 5.501 2.540 8.923 0.00 0.00 0.015 C ATOM 40 C UNL d 1 5.487 5.050 8.398 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 3.131 6.484 13.038 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 2.828 6.120 13.892 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 5.076 6.247 11.383 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 5.022 6.874 10.650 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11