REMARK VINA RESULT: -7.5 2.253 7.171 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 -2.092 -5.484 0.302 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -2.482 -6.023 5.465 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -6.132 -2.494 1.408 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -7.444 -2.203 3.574 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -6.805 -1.509 2.366 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -6.307 -2.784 4.416 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -5.343 -3.569 2.165 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -5.359 -3.636 3.580 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -4.446 -4.407 1.463 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -4.433 -4.464 4.238 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -3.489 -5.205 2.130 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -3.501 -5.239 3.522 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -2.391 -5.902 1.411 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -2.520 -6.062 4.240 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -1.556 -6.941 2.076 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -1.610 -6.956 3.485 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -0.664 -7.835 1.440 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -0.789 -7.803 4.252 0.00 0.00 0.017 A ATOM 19 C UNL d 1 0.145 -8.675 2.240 0.00 0.00 0.038 A ATOM 20 C UNL d 1 0.097 -8.660 3.627 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -7.032 -3.076 0.430 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -7.139 -2.346 -0.817 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -7.054 -3.198 -1.970 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -5.744 -3.661 -2.319 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -4.769 -2.484 -2.519 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -5.869 -4.505 -3.589 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -4.763 -1.643 -1.228 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -6.184 -1.153 -0.946 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -5.158 -1.651 -3.626 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -5.146 -2.201 -4.431 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -3.868 -0.483 -1.317 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -4.076 0.160 -0.552 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -2.913 -0.803 -1.126 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 -8.228 -1.132 4.358 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -9.232 -1.415 5.027 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -7.766 0.317 4.282 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -8.895 1.188 4.258 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -9.676 0.631 4.448 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 -8.333 -3.253 3.194 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -9.062 -2.908 2.645 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -4.527 -4.440 0.095 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -5.370 -4.031 -0.178 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -4.450 -4.438 5.612 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -4.137 -3.554 5.915 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -0.379 -8.112 0.135 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -1.296 -8.674 -0.778 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11