REMARK VINA RESULT: -3.9 2.307 2.641 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 19.567 -33.879 -2.646 0.00 0.00 0.017 A ATOM 2 C UNL d 1 22.295 -34.678 -1.926 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 21.259 -34.744 -0.954 0.00 0.00 0.025 A ATOM 4 C UNL d 1 23.654 -35.053 -1.598 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 20.599 -33.894 -3.603 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 19.955 -34.254 -1.330 0.00 0.00 0.089 A ATOM 7 C UNL d 1 21.914 -34.237 -3.215 0.00 0.00 0.020 A ATOM 8 C UNL d 1 21.582 -35.271 0.334 0.00 0.00 0.051 A ATOM 9 C UNL d 1 23.915 -35.506 -0.294 0.00 0.00 0.107 A ATOM 10 C UNL d 1 22.897 -35.631 0.648 0.00 0.00 0.113 A ATOM 11 C UNL d 1 20.469 -33.497 -5.057 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 18.152 -33.491 -2.984 0.00 0.00 0.017 A ATOM 13 C UNL d 1 17.165 -34.432 -3.332 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 15.849 -34.006 -3.614 0.00 0.00 0.020 A ATOM 15 C UNL d 1 17.349 -35.930 -3.383 0.00 0.00 0.049 C ATOM 16 C UNL d 1 15.425 -32.662 -3.670 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 16.417 -31.679 -3.391 0.00 0.00 0.025 A ATOM 18 C UNL d 1 14.065 -32.285 -3.991 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 17.719 -32.138 -2.972 0.00 0.00 0.089 A ATOM 20 C UNL d 1 16.045 -30.304 -3.524 0.00 0.00 0.051 A ATOM 21 C UNL d 1 14.736 -29.946 -3.828 0.00 0.00 0.113 A ATOM 22 C UNL d 1 13.758 -30.916 -4.037 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 18.565 -31.167 -2.470 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 18.851 -30.570 -3.181 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 17.061 -29.220 -3.470 0.00 0.00 0.273 C ATOM 26 O UNL d 1 17.086 -28.342 -2.617 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 14.362 -28.636 -3.989 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 15.190 -28.120 -3.925 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 12.522 -30.391 -4.325 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 12.276 -30.576 -5.241 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 12.999 -33.344 -4.308 0.00 0.00 0.014 C ATOM 32 C UNL d 1 11.845 -33.381 -3.298 0.00 0.00 0.015 C ATOM 33 C UNL d 1 12.535 -33.278 -5.766 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 19.049 -34.103 -0.296 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 19.422 -34.444 0.534 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 20.533 -35.584 1.333 0.00 0.00 0.273 C ATOM 37 O UNL d 1 20.362 -34.965 2.375 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 24.773 -34.997 -2.647 0.00 0.00 0.014 C ATOM 39 C UNL d 1 25.820 -33.910 -2.376 0.00 0.00 0.015 C ATOM 40 C UNL d 1 25.380 -36.377 -2.917 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 23.229 -36.175 1.862 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 23.982 -35.641 2.184 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 25.142 -35.911 0.175 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 25.525 -35.243 0.758 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11