REMARK VINA RESULT: -6.3 1.725 2.053 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 -6.891 -3.728 -1.366 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -7.920 -0.062 2.184 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -5.081 -5.857 2.956 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -4.758 -4.876 5.287 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -5.227 -6.080 4.462 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -5.735 -3.731 5.010 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -5.525 -4.446 2.549 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -5.918 -3.489 3.516 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -5.711 -4.136 1.182 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -6.553 -2.308 3.093 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -6.388 -2.967 0.765 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -6.792 -2.049 1.730 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -6.801 -2.744 -0.645 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -7.493 -0.825 1.324 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -7.270 -1.413 -1.123 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -7.651 -0.504 -0.114 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -7.449 -1.019 -2.469 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -8.223 0.745 -0.417 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -8.022 0.245 -2.738 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -8.416 1.118 -1.733 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -3.766 -6.178 2.434 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -2.710 -5.267 2.828 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -2.663 -4.085 2.014 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -2.086 -4.237 0.711 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -0.662 -4.820 0.795 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -2.089 -2.865 0.035 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -0.736 -6.157 1.557 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -1.322 -5.907 2.947 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 0.239 -3.933 1.481 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -0.299 -3.282 1.970 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 0.578 -6.796 1.701 0.00 0.00 0.085 N ATOM 32 H UNL d 1 0.936 -7.038 0.775 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 1.237 -6.093 2.050 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 -4.793 -5.291 6.770 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -5.389 -4.620 7.624 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -4.047 -6.548 7.197 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -4.976 -7.580 7.523 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -5.789 -7.388 7.015 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 -3.436 -4.460 4.944 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -2.942 -5.188 4.523 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -5.206 -5.002 0.247 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -4.573 -4.520 -0.316 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -6.973 -1.448 4.078 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -7.401 -1.972 4.795 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -7.170 -1.608 -3.667 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -5.937 -2.214 -3.989 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11