REMARK VINA RESULT: -3.6 1.500 1.805 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 -6.667 -3.454 9.312 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -10.612 -0.057 9.258 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -5.791 -0.836 4.969 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -7.224 0.877 3.740 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -5.819 0.497 4.219 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -8.066 1.162 4.986 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -6.978 -0.967 5.932 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -7.988 0.024 5.996 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -6.988 -2.001 6.897 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -8.911 -0.005 7.057 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -7.891 -2.001 7.984 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -8.862 -1.005 8.047 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -7.761 -2.940 9.129 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -9.814 -0.983 9.164 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -8.853 -3.112 10.128 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -9.828 -2.093 10.146 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -8.950 -4.136 11.099 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -10.851 -2.061 11.112 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -9.992 -4.075 12.052 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -10.929 -3.051 12.072 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -5.668 -1.997 4.107 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -5.262 -3.217 4.776 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -4.004 -3.086 5.457 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -2.833 -3.114 4.632 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -2.784 -4.393 3.772 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -1.613 -3.009 5.548 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -4.081 -4.462 2.943 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -5.279 -4.470 3.892 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -2.676 -5.577 4.583 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -1.777 -5.937 4.466 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -4.140 -5.656 2.090 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -5.049 -5.692 1.627 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -3.471 -5.533 1.324 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 -7.087 2.135 2.860 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -6.552 3.171 3.279 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -7.653 2.107 1.447 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -7.084 1.023 0.714 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -7.743 0.777 0.034 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 -7.843 -0.163 2.982 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -8.091 0.156 2.094 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -6.094 -3.030 6.752 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -6.166 -3.618 7.527 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -9.826 1.018 7.106 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -9.517 1.688 7.759 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -8.226 -5.264 11.352 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -8.776 -6.471 11.836 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11