REMARK VINA RESULT: -3.2 2.689 5.224 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_19 REMARK 2 A between atoms: C_13 and O_1 REMARK 3 A between atoms: C_14 and O_3 REMARK 4 A between atoms: O_4 and C_22 REMARK 5 A between atoms: O_5 and C_24 REMARK 6 A between atoms: O_6 and C_26 REMARK 7 A between atoms: O_8 and C_30 REMARK 8 A between atoms: O_11 and C_35 REMARK 9 A between atoms: N_12 and C_21 REMARK 10 A between atoms: C_14 and C_25 REMARK 11 A between atoms: C_25 and C_30 ROOT ATOM 1 O UNL d 1 15.422 46.303 21.773 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 10.466 46.561 20.200 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 13.655 41.619 22.965 0.00 0.00 0.164 C ATOM 4 C UNL d 1 11.287 40.675 22.936 0.00 0.00 0.127 C ATOM 5 C UNL d 1 12.764 40.429 22.606 0.00 0.00 0.083 C ATOM 6 C UNL d 1 10.791 41.777 21.996 0.00 0.00 0.088 C ATOM 7 C UNL d 1 13.007 42.951 22.569 0.00 0.00 0.014 A ATOM 8 C UNL d 1 11.698 43.002 22.028 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 13.776 44.137 22.578 0.00 0.00 0.090 A ATOM 10 C UNL d 1 11.242 44.198 21.447 0.00 0.00 0.088 A ATOM 11 C UNL d 1 13.329 45.324 21.955 0.00 0.00 0.066 A ATOM 12 C UNL d 1 12.050 45.350 21.404 0.00 0.00 0.066 A ATOM 13 C UNL d 1 14.215 46.499 21.747 0.00 0.00 0.200 C ATOM 14 C UNL d 1 11.560 46.571 20.755 0.00 0.00 0.197 C ATOM 15 C UNL d 1 13.675 47.825 21.336 0.00 0.00 0.062 A ATOM 16 C UNL d 1 12.369 47.811 20.803 0.00 0.00 0.032 A ATOM 17 C UNL d 1 14.370 49.056 21.349 0.00 0.00 0.083 A ATOM 18 C UNL d 1 11.774 48.968 20.267 0.00 0.00 0.017 A ATOM 19 C UNL d 1 13.741 50.200 20.806 0.00 0.00 0.038 A ATOM 20 C UNL d 1 12.464 50.165 20.261 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 14.102 41.628 24.345 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 13.489 42.641 25.182 0.00 0.00 0.263 C ATOM 23 O UNL d 1 14.443 43.568 25.722 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 15.232 43.096 26.821 0.00 0.00 0.151 C ATOM 25 C UNL d 1 14.341 42.596 27.975 0.00 0.00 0.179 C ATOM 26 C UNL d 1 16.140 44.242 27.271 0.00 0.00 0.042 C ATOM 27 C UNL d 1 13.406 41.504 27.420 0.00 0.00 0.253 C ATOM 28 C UNL d 1 12.572 42.094 26.282 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 13.549 43.658 28.537 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 13.693 44.456 27.994 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 12.503 40.964 28.443 0.00 0.00 0.085 N ATOM 32 H UNL d 1 11.540 41.041 28.114 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 12.666 39.954 28.511 0.00 0.00 0.313 HD ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 4 34 ATOM 34 C UNL d 1 10.534 39.354 22.692 0.00 0.00 0.184 C ATOM 35 O UNL d 1 10.235 38.971 21.553 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 10.121 38.513 23.893 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 11.255 38.246 24.716 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 11.607 37.381 24.426 0.00 0.00 0.209 HD ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 4 34 BRANCH 4 39 ATOM 39 O UNL d 1 11.091 41.088 24.289 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 10.455 40.502 24.740 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 14.986 44.119 23.222 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 14.936 43.485 23.962 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 9.991 44.169 20.879 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 9.388 43.658 21.468 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 15.597 49.440 21.805 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 15.851 49.909 23.111 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11