REMARK VINA RESULT: -4.5 0.222 9.100 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 -0.778 -16.432 5.282 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -1.029 -13.519 5.500 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -2.199 -14.329 5.464 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -1.121 -12.077 5.595 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 0.357 -15.609 5.393 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -2.024 -15.747 5.264 0.00 0.00 0.089 A ATOM 7 C UNL d 1 0.207 -14.205 5.448 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -3.465 -13.684 5.607 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -2.400 -11.503 5.672 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -3.549 -12.289 5.697 0.00 0.00 0.113 A ATOM 11 C UNL d 1 1.797 -16.075 5.389 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -0.687 -17.933 5.186 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -0.573 -18.613 3.960 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -0.468 -20.021 3.938 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -0.489 -17.971 2.596 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -0.556 -20.859 5.070 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -0.741 -20.205 6.322 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -0.466 -22.300 4.982 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -0.710 -18.763 6.338 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -0.923 -21.027 7.478 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -0.831 -22.413 7.391 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -0.586 -23.038 6.170 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -0.637 -18.179 7.589 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -1.428 -17.638 7.754 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -1.340 -20.445 8.782 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -0.585 -20.273 9.731 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -1.029 -23.222 8.481 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -1.664 -22.742 9.048 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -0.524 -24.407 6.263 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -0.376 -24.682 7.178 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -0.283 -23.006 3.631 0.00 0.00 0.014 C ATOM 32 C UNL d 1 0.993 -23.853 3.543 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -1.546 -23.754 3.194 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -3.177 -16.460 4.986 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -3.937 -16.071 5.452 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -4.714 -14.455 5.804 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -5.571 -14.618 4.943 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 0.138 -11.200 5.648 0.00 0.00 0.014 C ATOM 39 C UNL d 1 0.765 -11.105 7.044 0.00 0.00 0.015 C ATOM 40 C UNL d 1 1.142 -11.565 4.550 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -4.747 -11.647 5.874 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -4.511 -10.729 6.113 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -2.662 -10.157 5.778 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -1.885 -9.636 5.539 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11