REMARK VINA RESULT: -5.2 1.665 2.081 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 2.162 1.615 11.027 0.00 0.00 0.017 A ATOM 2 C UNL d 1 1.757 -1.285 10.880 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 0.795 -0.407 10.307 0.00 0.00 0.025 A ATOM 4 C UNL d 1 1.579 -2.721 10.834 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 3.128 0.718 11.520 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 0.994 1.011 10.485 0.00 0.00 0.089 A ATOM 7 C UNL d 1 2.883 -0.674 11.479 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -0.310 -0.986 9.612 0.00 0.00 0.051 A ATOM 9 C UNL d 1 0.438 -3.223 10.187 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -0.479 -2.375 9.571 0.00 0.00 0.113 A ATOM 11 C UNL d 1 4.433 1.095 12.185 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 2.344 3.109 11.071 0.00 0.00 0.017 A ATOM 13 C UNL d 1 3.403 3.768 10.420 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 3.504 5.175 10.479 0.00 0.00 0.020 A ATOM 15 C UNL d 1 4.466 3.112 9.572 0.00 0.00 0.049 C ATOM 16 C UNL d 1 2.660 6.019 11.231 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 1.619 5.377 11.960 0.00 0.00 0.025 A ATOM 18 C UNL d 1 2.830 7.456 11.274 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 1.449 3.956 11.778 0.00 0.00 0.089 A ATOM 20 C UNL d 1 0.799 6.191 12.803 0.00 0.00 0.051 A ATOM 21 C UNL d 1 0.962 7.573 12.837 0.00 0.00 0.113 A ATOM 22 C UNL d 1 1.944 8.197 12.072 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 0.284 3.420 12.294 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -0.149 2.856 11.632 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -0.163 5.587 13.763 0.00 0.00 0.273 C ATOM 26 O UNL d 1 0.166 4.954 14.759 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 0.207 8.371 13.659 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 0.604 8.277 14.547 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 1.966 9.562 12.222 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 1.253 9.853 12.806 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 3.963 8.147 10.502 0.00 0.00 0.014 C ATOM 32 C UNL d 1 3.475 9.186 9.485 0.00 0.00 0.015 C ATOM 33 C UNL d 1 5.061 8.670 11.433 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -0.077 1.815 10.137 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -0.120 2.592 10.720 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -1.236 -0.163 8.799 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -0.969 0.292 7.693 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 2.620 -3.674 11.439 0.00 0.00 0.014 C ATOM 39 C UNL d 1 2.030 -4.687 12.426 0.00 0.00 0.015 C ATOM 40 C UNL d 1 3.509 -4.311 10.366 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -1.509 -2.958 8.879 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -2.322 -2.652 9.326 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 0.126 -4.554 10.044 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 0.737 -5.107 10.548 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11