REMARK VINA RESULT: -5.8 0.000 0.000 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 -6.558 -3.461 9.442 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -10.686 -0.296 9.224 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -5.684 -0.826 5.109 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -7.169 0.793 3.816 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -5.762 0.498 4.347 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -8.068 1.038 5.031 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -6.894 -1.019 6.032 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -7.961 -0.087 6.053 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -6.879 -2.045 7.005 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -8.916 -0.161 7.082 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -7.817 -2.089 8.061 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -8.844 -1.150 8.082 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -7.673 -3.012 9.217 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -9.834 -1.175 9.166 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -8.787 -3.239 10.180 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -9.818 -2.277 10.157 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -8.859 -4.260 11.156 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -10.874 -2.297 11.086 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -9.935 -4.253 12.072 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -10.929 -3.284 12.052 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -5.465 -1.984 4.262 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -4.083 -2.227 3.900 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -3.597 -3.492 4.377 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -3.275 -3.560 5.771 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -2.254 -2.474 6.163 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -2.736 -4.963 6.058 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -2.838 -1.103 5.769 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -3.116 -1.094 4.266 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -0.992 -2.661 5.498 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -1.178 -2.962 4.588 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -1.934 0.007 6.093 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -1.300 0.163 5.308 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -2.490 0.866 6.143 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 -7.073 2.051 2.931 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -7.316 3.182 3.374 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -6.698 1.889 1.465 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -7.873 1.719 0.675 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -7.910 2.486 0.069 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 -7.701 -0.285 3.047 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -7.247 -1.121 3.263 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -5.923 -3.023 6.899 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -5.043 -2.602 6.917 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -9.889 0.808 7.091 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -9.552 1.590 7.587 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -8.082 -5.343 11.444 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -8.557 -6.526 12.050 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11