REMARK VINA RESULT: -4.2 3.506 9.225 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 8.925 -10.869 7.844 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 13.868 -12.141 8.866 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 8.579 -15.917 8.778 0.00 0.00 0.164 C ATOM 4 C UNL d 1 10.394 -17.679 9.098 0.00 0.00 0.127 C ATOM 5 C UNL d 1 9.047 -17.132 9.583 0.00 0.00 0.083 C ATOM 6 C UNL d 1 11.453 -16.623 9.418 0.00 0.00 0.088 C ATOM 7 C UNL d 1 9.733 -14.945 8.502 0.00 0.00 0.014 A ATOM 8 C UNL d 1 11.061 -15.247 8.891 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 9.457 -13.650 8.005 0.00 0.00 0.090 A ATOM 10 C UNL d 1 12.035 -14.234 8.851 0.00 0.00 0.088 A ATOM 11 C UNL d 1 10.429 -12.625 8.006 0.00 0.00 0.066 A ATOM 12 C UNL d 1 11.723 -12.931 8.417 0.00 0.00 0.066 A ATOM 13 C UNL d 1 10.093 -11.207 7.714 0.00 0.00 0.200 C ATOM 14 C UNL d 1 12.753 -11.886 8.425 0.00 0.00 0.197 C ATOM 15 C UNL d 1 11.150 -10.188 7.459 0.00 0.00 0.062 A ATOM 16 C UNL d 1 12.451 -10.545 7.871 0.00 0.00 0.032 A ATOM 17 C UNL d 1 10.956 -8.890 6.935 0.00 0.00 0.083 A ATOM 18 C UNL d 1 13.526 -9.640 7.801 0.00 0.00 0.017 A ATOM 19 C UNL d 1 12.058 -8.007 6.875 0.00 0.00 0.038 A ATOM 20 C UNL d 1 13.328 -8.364 7.308 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 7.857 -16.253 7.566 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 8.469 -17.286 6.753 0.00 0.00 0.263 C ATOM 23 O UNL d 1 9.164 -16.757 5.613 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 8.347 -16.335 4.514 0.00 0.00 0.151 C ATOM 25 C UNL d 1 7.427 -17.474 4.031 0.00 0.00 0.179 C ATOM 26 C UNL d 1 9.276 -15.856 3.398 0.00 0.00 0.042 C ATOM 27 C UNL d 1 6.586 -17.951 5.231 0.00 0.00 0.253 C ATOM 28 C UNL d 1 7.524 -18.422 6.342 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 8.179 -18.583 3.509 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 8.030 -19.348 4.097 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 5.676 -19.048 4.878 0.00 0.00 0.085 N ATOM 32 H UNL d 1 6.191 -19.754 4.351 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 5.404 -19.526 5.743 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 10.662 -18.988 9.866 0.00 0.00 0.184 C ATOM 35 O UNL d 1 11.775 -19.250 10.343 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 9.532 -19.997 10.013 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 9.161 -20.506 8.733 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 8.241 -20.826 8.821 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 10.403 -17.945 7.695 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 9.697 -17.445 7.244 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 8.205 -13.404 7.503 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 7.761 -12.751 8.075 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 13.289 -14.566 9.303 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 13.830 -14.872 8.538 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 9.875 -8.233 6.423 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 8.673 -8.007 7.128 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11