REMARK VINA RESULT: -5.0 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 -6.331 -0.970 0.667 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -2.295 -1.917 3.816 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -8.656 -2.605 4.958 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -7.697 -3.639 7.081 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -8.699 -2.644 6.486 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -6.295 -3.100 6.786 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -7.216 -2.628 4.432 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -6.112 -2.767 5.310 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -6.959 -2.338 3.072 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -4.815 -2.531 4.824 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -5.657 -2.060 2.599 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -4.586 -2.175 3.481 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -5.401 -1.523 1.237 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -3.223 -1.895 3.015 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -4.029 -1.483 0.656 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -2.973 -1.623 1.580 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -3.696 -1.233 -0.695 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -1.626 -1.490 1.194 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -2.333 -1.108 -1.050 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -1.305 -1.224 -0.124 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -9.479 -3.613 4.317 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -10.669 -3.991 5.051 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -10.385 -4.847 6.169 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -10.105 -6.218 5.861 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -11.249 -6.854 5.047 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -9.879 -6.957 7.181 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -11.463 -6.006 3.779 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -11.797 -4.571 4.189 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -12.475 -6.903 5.798 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -12.268 -6.666 6.721 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -12.545 -6.524 2.932 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -12.279 -7.443 2.575 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -13.356 -6.711 3.530 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 -7.960 -3.708 8.597 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -7.096 -4.100 9.394 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -9.333 -3.311 9.122 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -10.131 -4.475 9.331 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -10.670 -4.298 10.128 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 -7.826 -4.946 6.519 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -8.756 -5.137 6.298 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -8.017 -2.339 2.200 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -7.770 -1.825 1.409 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -3.790 -2.614 5.736 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -3.303 -3.458 5.587 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -4.432 -1.080 -1.833 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -4.007 -1.483 -3.118 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11