REMARK VINA RESULT: -6.5 2.117 7.310 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 -1.351 -4.623 0.917 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -3.042 -6.637 5.410 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -5.707 -2.003 1.715 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -7.554 -2.329 3.441 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -6.663 -1.327 2.699 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -6.644 -3.154 4.353 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -5.081 -3.268 2.314 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -5.462 -3.744 3.593 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -3.985 -3.883 1.667 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -4.693 -4.747 4.208 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -3.190 -4.861 2.307 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -3.562 -5.299 3.575 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -1.903 -5.340 1.739 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -2.757 -6.316 4.261 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -1.211 -6.545 2.276 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -1.631 -6.970 3.554 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -0.133 -7.234 1.672 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -0.989 -8.020 4.235 0.00 0.00 0.017 A ATOM 19 C UNL d 1 0.487 -8.287 2.383 0.00 0.00 0.038 A ATOM 20 C UNL d 1 0.078 -8.676 3.652 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -6.285 -2.256 0.408 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -5.505 -1.771 -0.712 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -6.148 -0.695 -1.414 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -7.224 -1.062 -2.285 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -6.773 -2.110 -3.322 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -7.732 0.211 -2.963 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -6.203 -3.322 -2.560 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -5.036 -2.859 -1.687 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -5.764 -1.588 -4.204 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -6.194 -1.373 -5.053 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -5.733 -4.382 -3.460 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -6.173 -4.264 -4.374 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -4.736 -4.228 -3.640 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 -8.576 -1.518 4.261 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -9.695 -1.969 4.543 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -8.206 -0.110 4.708 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -9.023 0.283 5.810 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -8.937 -0.423 6.481 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 -8.250 -3.204 2.553 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -8.339 -2.801 1.669 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -3.704 -3.514 0.376 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -4.494 -3.089 -0.005 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -5.069 -5.123 5.475 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -6.053 -5.150 5.517 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 0.498 -7.123 0.468 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 0.175 -7.888 -0.673 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11