REMARK VINA RESULT: -5.9 2.328 4.866 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 -3.807 -5.909 -3.371 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 1.178 -5.848 -1.872 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -4.067 -3.525 1.182 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -2.300 -3.187 2.988 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -3.443 -2.554 2.186 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -1.156 -3.457 2.009 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -2.999 -4.347 0.451 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -1.626 -4.236 0.786 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -3.353 -5.105 -0.689 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -0.665 -4.806 -0.066 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -2.381 -5.639 -1.564 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -1.035 -5.498 -1.235 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -2.732 -6.227 -2.883 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -0.005 -6.047 -2.125 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -1.748 -7.018 -3.674 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -0.398 -6.864 -3.297 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -2.030 -7.824 -4.802 0.00 0.00 0.083 A ATOM 18 C UNL d 1 0.649 -7.457 -4.026 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -0.955 -8.407 -5.510 0.00 0.00 0.038 A ATOM 20 C UNL d 1 0.371 -8.225 -5.140 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -5.105 -4.370 1.743 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -6.459 -3.897 1.537 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -6.718 -3.526 0.174 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -6.182 -2.267 -0.251 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -6.662 -1.119 0.659 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -6.607 -2.044 -1.703 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -6.265 -1.459 2.108 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -6.906 -2.791 2.501 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -8.087 -0.940 0.587 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -8.433 -1.568 -0.075 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -6.686 -0.427 3.064 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -6.183 0.439 2.864 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -7.667 -0.198 2.873 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 -1.880 -2.172 4.069 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -1.475 -1.038 3.780 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -1.939 -2.593 5.531 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -3.277 -2.933 5.889 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -3.835 -2.693 5.122 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 -2.684 -4.411 3.613 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -3.156 -4.240 4.449 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -4.685 -5.324 -0.932 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -4.803 -6.251 -1.210 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 0.652 -4.610 0.272 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 0.808 -4.986 1.170 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -3.185 -8.211 -5.417 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -4.422 -8.375 -4.757 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11