REMARK VINA RESULT: -3.9 1.241 1.421 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 -1.807 -14.901 5.739 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -5.845 -15.968 8.846 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -1.515 -20.019 6.186 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -2.781 -21.633 7.700 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -2.235 -21.364 6.293 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -3.899 -20.619 7.953 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -2.275 -18.911 6.925 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -3.445 -19.191 7.673 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -1.913 -17.558 6.726 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -4.247 -18.126 8.118 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -2.745 -16.493 7.139 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -3.905 -16.786 7.850 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -2.499 -15.085 6.730 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -4.785 -15.699 8.293 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -3.213 -13.947 7.375 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -4.371 -14.288 8.103 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -2.891 -12.575 7.251 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -5.210 -13.309 8.667 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -3.753 -11.618 7.833 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -4.904 -11.969 8.525 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -0.118 -20.064 6.576 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 0.827 -20.042 5.477 0.00 0.00 0.263 C ATOM 23 O UNL d 1 0.507 -19.051 4.488 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -0.568 -19.371 3.597 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -0.315 -20.708 2.872 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -0.711 -18.216 2.604 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -0.103 -21.798 3.941 0.00 0.00 0.253 C ATOM 28 C UNL d 1 1.082 -21.406 4.824 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 0.844 -20.645 2.023 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 1.494 -20.057 2.450 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 0.156 -23.118 3.353 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -0.422 -23.233 2.519 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 1.117 -23.125 2.997 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 -3.322 -23.076 7.716 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -3.194 -23.812 8.704 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -4.008 -23.615 6.468 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -5.414 -23.393 6.548 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -5.667 -22.931 5.724 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 -1.781 -21.493 8.709 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -0.899 -21.717 8.356 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -0.712 -17.292 6.121 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -0.283 -18.137 5.893 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -5.404 -18.460 8.779 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -5.299 -18.232 9.733 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -1.861 -11.899 6.666 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -1.866 -11.439 5.332 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11