REMARK VINA RESULT: -6.0 3.196 4.923 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 -4.795 -2.004 -0.992 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -7.039 -6.045 1.402 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -0.728 -4.775 0.513 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -0.574 -6.813 2.036 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -0.096 -6.149 0.740 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -2.058 -7.139 1.857 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -2.224 -4.778 0.851 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -2.855 -5.925 1.393 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -3.035 -3.687 0.463 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -4.258 -5.974 1.449 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -4.446 -3.758 0.482 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -5.051 -4.903 0.993 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -5.306 -2.719 -0.142 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -6.514 -5.002 1.029 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -6.773 -2.663 0.109 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -7.344 -3.835 0.646 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -7.642 -1.596 -0.218 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -8.733 -3.969 0.827 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -9.031 -1.763 -0.021 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -9.581 -2.933 0.485 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -0.031 -3.686 1.173 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -0.829 -2.928 2.115 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -0.481 -1.535 2.146 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 0.722 -1.199 2.849 0.00 0.00 0.151 C ATOM 25 C UNL d 1 0.685 -1.717 4.300 0.00 0.00 0.179 C ATOM 26 C UNL d 1 0.881 0.321 2.802 0.00 0.00 0.042 C ATOM 27 C UNL d 1 0.441 -3.238 4.259 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -0.876 -3.513 3.532 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -0.361 -1.090 5.064 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -0.214 -0.126 5.034 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 0.379 -3.834 5.600 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -0.297 -4.599 5.595 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 1.277 -4.291 5.787 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 0.259 -8.095 2.232 0.00 0.00 0.184 C ATOM 35 O UNL d 1 0.799 -8.675 1.281 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 0.393 -8.675 3.633 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -0.856 -8.591 4.318 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -1.132 -9.512 4.499 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 -0.412 -5.967 3.176 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -0.999 -6.250 3.902 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -2.415 -2.529 0.067 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -1.980 -2.686 -0.792 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -4.816 -7.137 1.922 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -4.901 -7.072 2.902 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -7.444 -0.339 -0.711 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -7.708 0.045 -2.044 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11