REMARK VINA RESULT: -5.1 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 -1.850 -6.374 8.413 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -1.970 -1.506 6.571 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 2.156 -6.331 5.183 0.00 0.00 0.164 C ATOM 4 C UNL d 1 2.906 -4.586 3.483 0.00 0.00 0.127 C ATOM 5 C UNL d 1 3.337 -5.571 4.575 0.00 0.00 0.083 C ATOM 6 C UNL d 1 2.095 -3.481 4.164 0.00 0.00 0.088 C ATOM 7 C UNL d 1 0.957 -5.408 5.430 0.00 0.00 0.014 A ATOM 8 C UNL d 1 0.978 -4.049 5.031 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -0.127 -5.860 6.218 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -0.026 -3.182 5.498 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -1.108 -4.976 6.719 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -1.059 -3.637 6.339 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -2.110 -5.389 7.736 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -2.068 -2.698 6.842 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -3.292 -4.542 8.060 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -3.212 -3.198 7.641 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -4.425 -4.933 8.811 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -4.200 -2.255 7.977 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -5.401 -3.960 9.129 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -5.294 -2.635 8.730 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 1.776 -7.521 4.444 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 1.988 -8.772 5.144 0.00 0.00 0.263 C ATOM 23 O UNL d 1 2.334 -8.584 6.525 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 3.680 -8.174 6.790 0.00 0.00 0.151 C ATOM 25 C UNL d 1 4.696 -9.154 6.169 0.00 0.00 0.179 C ATOM 26 C UNL d 1 3.851 -8.080 8.307 0.00 0.00 0.042 C ATOM 27 C UNL d 1 4.405 -9.252 4.659 0.00 0.00 0.253 C ATOM 28 C UNL d 1 2.967 -9.732 4.459 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 4.602 -10.464 6.755 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 5.066 -10.440 7.613 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 5.316 -10.172 3.969 0.00 0.00 0.085 N ATOM 32 H UNL d 1 6.006 -10.523 4.636 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 4.783 -11.004 3.697 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 4.188 -4.020 2.841 0.00 0.00 0.184 C ATOM 35 O UNL d 1 5.316 -4.368 3.217 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 4.058 -2.983 1.734 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 4.902 -1.866 2.009 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 4.408 -1.297 2.634 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 2.107 -5.203 2.474 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 1.543 -4.543 2.028 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -0.215 -7.202 6.488 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -0.316 -7.321 7.450 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 0.083 -1.862 5.134 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -0.228 -1.301 5.883 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -4.841 -6.120 9.339 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -6.088 -6.318 9.970 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11