REMARK VINA RESULT: -9.0 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 -5.183 -3.884 -0.738 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -8.115 -1.208 2.630 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -3.514 -5.646 3.800 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -4.000 -4.855 6.174 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -3.832 -6.058 5.238 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -5.266 -4.115 5.736 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -4.369 -4.455 3.350 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -5.256 -3.806 4.244 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -4.411 -4.096 1.983 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -6.198 -2.895 3.734 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -5.387 -3.212 1.471 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -6.269 -2.602 2.359 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -5.594 -3.011 0.013 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -7.290 -1.677 1.854 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -6.431 -1.896 -0.512 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -7.296 -1.291 0.423 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -6.500 -1.458 -1.855 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -8.227 -0.305 0.045 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -7.444 -0.464 -2.200 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -8.306 0.104 -1.272 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -2.103 -5.420 3.547 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -1.339 -6.609 3.226 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -0.238 -6.341 2.343 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -0.568 -6.144 0.963 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -1.355 -7.343 0.399 0.00 0.00 0.179 C ATOM 26 C UNL d 1 0.738 -5.923 0.197 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -2.608 -7.546 1.272 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -2.174 -7.790 2.718 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -0.571 -8.549 0.408 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 0.361 -8.300 0.261 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -3.429 -8.677 0.823 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -2.909 -9.545 0.964 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -4.232 -8.759 1.455 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 -4.142 -5.403 7.607 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -5.194 -5.288 8.250 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -2.942 -6.079 8.256 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -1.738 -5.648 7.624 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -1.176 -5.272 8.332 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 -2.889 -3.961 6.119 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -3.141 -3.076 6.444 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -3.462 -4.624 1.146 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -3.883 -4.843 0.295 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -7.076 -2.346 4.637 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -7.543 -1.592 4.207 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -5.814 -1.783 -2.988 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -5.875 -3.043 -3.621 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11