REMARK VINA RESULT: -4.7 2.589 9.029 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 8.872 -13.672 7.786 0.00 0.00 0.017 A ATOM 2 C UNL d 1 9.958 -11.056 8.540 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 8.549 -11.239 8.457 0.00 0.00 0.025 A ATOM 4 C UNL d 1 10.525 -9.772 8.897 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 10.256 -13.476 7.947 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 8.068 -12.518 7.994 0.00 0.00 0.089 A ATOM 7 C UNL d 1 10.754 -12.192 8.264 0.00 0.00 0.020 A ATOM 8 C UNL d 1 7.708 -10.143 8.818 0.00 0.00 0.051 A ATOM 9 C UNL d 1 9.641 -8.718 9.182 0.00 0.00 0.107 A ATOM 10 C UNL d 1 8.261 -8.903 9.162 0.00 0.00 0.113 A ATOM 11 C UNL d 1 11.331 -14.520 7.741 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 8.278 -15.006 7.416 0.00 0.00 0.017 A ATOM 13 C UNL d 1 7.803 -15.921 8.373 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 7.234 -17.146 7.960 0.00 0.00 0.020 A ATOM 15 C UNL d 1 7.777 -15.707 9.867 0.00 0.00 0.049 C ATOM 16 C UNL d 1 7.170 -17.603 6.627 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 7.707 -16.730 5.638 0.00 0.00 0.025 A ATOM 18 C UNL d 1 6.598 -18.882 6.267 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 8.157 -15.428 6.065 0.00 0.00 0.089 A ATOM 20 C UNL d 1 7.738 -17.198 4.287 0.00 0.00 0.051 A ATOM 21 C UNL d 1 7.182 -18.426 3.944 0.00 0.00 0.113 A ATOM 22 C UNL d 1 6.604 -19.245 4.911 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 8.430 -14.525 5.053 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 9.037 -13.836 5.371 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 8.474 -16.455 3.229 0.00 0.00 0.273 C ATOM 26 O UNL d 1 9.683 -16.260 3.240 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 7.227 -18.908 2.660 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 7.016 -18.144 2.088 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 6.102 -20.417 4.402 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 5.389 -20.755 4.961 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 6.034 -19.831 7.335 0.00 0.00 0.014 C ATOM 32 C UNL d 1 4.530 -20.097 7.194 0.00 0.00 0.015 C ATOM 33 C UNL d 1 6.872 -21.106 7.474 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 6.719 -12.577 7.690 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 6.580 -12.443 6.737 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 6.244 -10.303 8.976 0.00 0.00 0.273 C ATOM 37 O UNL d 1 5.406 -9.736 8.286 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 12.043 -9.572 9.002 0.00 0.00 0.014 C ATOM 39 C UNL d 1 12.598 -8.534 8.019 0.00 0.00 0.015 C ATOM 40 C UNL d 1 12.497 -9.349 10.448 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 7.479 -7.845 9.549 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 7.309 -7.341 8.729 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 10.013 -7.446 9.548 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 9.825 -7.288 10.482 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11