REMARK VINA RESULT: -4.2 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 -1.349 -14.955 4.541 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -5.605 -14.841 7.538 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -1.526 -19.763 6.368 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -2.996 -20.807 8.170 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -2.365 -20.973 6.783 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -4.032 -19.685 8.064 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -2.220 -18.444 6.727 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -3.443 -18.425 7.441 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -1.733 -17.226 6.197 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -4.169 -17.224 7.528 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -2.486 -16.032 6.250 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -3.699 -16.036 6.933 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -2.100 -14.811 5.495 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -4.500 -14.809 7.007 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -2.741 -13.492 5.760 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -3.957 -13.538 6.472 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -2.295 -12.234 5.294 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -4.732 -12.384 6.693 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -3.096 -11.094 5.536 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -4.304 -11.160 6.218 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -0.158 -19.799 6.850 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 0.843 -20.059 5.835 0.00 0.00 0.263 C ATOM 23 O UNL d 1 0.477 -19.542 4.546 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -0.500 -20.294 3.817 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -0.059 -21.760 3.638 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -0.710 -19.605 2.468 0.00 0.00 0.042 C ATOM 27 C UNL d 1 0.208 -22.354 5.035 0.00 0.00 0.253 C ATOM 28 C UNL d 1 1.287 -21.524 5.731 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 1.136 -21.865 2.843 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 1.884 -22.020 3.449 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 0.646 -23.753 4.977 0.00 0.00 0.085 N ATOM 32 H UNL d 1 0.363 -24.229 5.835 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 0.113 -24.224 4.239 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 -3.662 -22.147 8.537 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -3.014 -23.094 9.002 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -5.155 -22.316 8.289 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -5.379 -22.803 6.967 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -5.211 -23.766 6.998 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 -2.036 -20.468 9.170 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -1.259 -21.055 9.117 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -0.486 -17.222 5.626 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 0.004 -16.445 5.952 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -5.379 -17.280 8.174 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -5.964 -17.915 7.697 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -1.184 -11.819 4.620 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 0.110 -11.752 5.181 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11