REMARK VINA RESULT: -4.3 2.500 8.933 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 12.651 44.648 23.286 0.00 0.00 0.017 A ATOM 2 C UNL d 1 13.583 47.177 22.133 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 12.283 47.097 22.705 0.00 0.00 0.025 A ATOM 4 C UNL d 1 14.067 48.408 21.544 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 13.957 44.780 22.778 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 11.837 45.809 23.176 0.00 0.00 0.089 A ATOM 7 C UNL d 1 14.361 45.997 22.184 0.00 0.00 0.020 A ATOM 8 C UNL d 1 11.499 48.290 22.755 0.00 0.00 0.051 A ATOM 9 C UNL d 1 13.221 49.529 21.574 0.00 0.00 0.107 A ATOM 10 C UNL d 1 11.970 49.479 22.184 0.00 0.00 0.113 A ATOM 11 C UNL d 1 15.006 43.692 22.729 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 12.145 43.370 23.901 0.00 0.00 0.017 A ATOM 13 C UNL d 1 12.340 43.045 25.256 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 11.819 41.841 25.778 0.00 0.00 0.020 A ATOM 15 C UNL d 1 13.030 43.911 26.283 0.00 0.00 0.049 C ATOM 16 C UNL d 1 11.166 40.844 25.023 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 11.013 41.110 23.632 0.00 0.00 0.025 A ATOM 18 C UNL d 1 10.675 39.617 25.610 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 11.430 42.403 23.145 0.00 0.00 0.089 A ATOM 20 C UNL d 1 10.435 40.084 22.820 0.00 0.00 0.051 A ATOM 21 C UNL d 1 9.959 38.907 23.389 0.00 0.00 0.113 A ATOM 22 C UNL d 1 10.058 38.685 24.761 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 11.035 42.715 21.858 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 11.258 43.638 21.652 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 10.437 40.180 21.337 0.00 0.00 0.273 C ATOM 26 O UNL d 1 9.428 40.312 20.654 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 9.428 37.898 22.628 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 9.545 38.183 21.700 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 9.539 37.476 25.155 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 10.237 36.897 25.491 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 10.854 39.322 27.107 0.00 0.00 0.014 C ATOM 32 C UNL d 1 9.550 39.392 27.911 0.00 0.00 0.015 C ATOM 33 C UNL d 1 11.657 38.041 27.351 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 10.493 45.717 23.491 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 10.296 46.232 24.291 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 10.234 48.359 23.524 0.00 0.00 0.273 C ATOM 37 O UNL d 1 10.148 48.181 24.733 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 15.474 48.504 20.938 0.00 0.00 0.014 C ATOM 39 C UNL d 1 16.596 48.178 21.930 0.00 0.00 0.015 C ATOM 40 C UNL d 1 15.585 47.739 19.615 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 11.256 50.647 22.252 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 10.696 50.558 23.048 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 13.530 50.772 21.073 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 12.734 51.309 20.970 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11