REMARK VINA RESULT: -4.7 1.832 9.379 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 9.467 -14.242 7.720 0.00 0.00 0.017 A ATOM 2 C UNL d 1 11.570 -12.478 8.751 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 10.373 -11.918 8.223 0.00 0.00 0.025 A ATOM 4 C UNL d 1 12.631 -11.633 9.256 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 10.631 -14.765 8.314 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 9.410 -12.823 7.645 0.00 0.00 0.089 A ATOM 7 C UNL d 1 11.649 -13.890 8.758 0.00 0.00 0.020 A ATOM 8 C UNL d 1 10.214 -10.500 8.282 0.00 0.00 0.051 A ATOM 9 C UNL d 1 12.435 -10.242 9.230 0.00 0.00 0.107 A ATOM 10 C UNL d 1 11.244 -9.686 8.771 0.00 0.00 0.113 A ATOM 11 C UNL d 1 10.964 -16.231 8.475 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 8.360 -15.117 7.195 0.00 0.00 0.017 A ATOM 13 C UNL d 1 7.098 -15.202 7.810 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 6.093 -16.024 7.254 0.00 0.00 0.020 A ATOM 15 C UNL d 1 6.654 -14.430 9.029 0.00 0.00 0.049 C ATOM 16 C UNL d 1 6.262 -16.874 6.141 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 7.551 -16.864 5.535 0.00 0.00 0.025 A ATOM 18 C UNL d 1 5.201 -17.714 5.631 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 8.521 -15.919 6.033 0.00 0.00 0.089 A ATOM 20 C UNL d 1 7.785 -17.777 4.459 0.00 0.00 0.051 A ATOM 21 C UNL d 1 6.760 -18.580 3.969 0.00 0.00 0.113 A ATOM 22 C UNL d 1 5.486 -18.535 4.530 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 9.658 -15.763 5.262 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 10.053 -14.889 5.418 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 9.152 -17.995 3.914 0.00 0.00 0.273 C ATOM 26 O UNL d 1 10.047 -18.576 4.515 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 6.968 -19.484 2.958 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 7.659 -19.086 2.393 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 4.595 -19.388 3.926 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 3.685 -19.117 4.107 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 3.816 -17.737 6.295 0.00 0.00 0.014 C ATOM 32 C UNL d 1 3.833 -18.234 7.746 0.00 0.00 0.015 C ATOM 33 C UNL d 1 3.064 -16.415 6.110 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 8.387 -12.230 6.926 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 8.412 -11.265 7.033 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 8.923 -9.847 7.965 0.00 0.00 0.273 C ATOM 37 O UNL d 1 8.761 -9.033 7.064 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 13.919 -12.232 9.840 0.00 0.00 0.014 C ATOM 39 C UNL d 1 13.672 -13.294 10.918 0.00 0.00 0.015 C ATOM 40 C UNL d 1 14.891 -12.685 8.746 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 11.104 -8.327 8.874 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 11.404 -7.973 8.014 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 13.333 -9.304 9.681 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 14.190 -9.412 9.247 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11