REMARK VINA RESULT: -7.0 2.880 6.905 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 -17.618 20.372 -31.252 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -22.450 21.156 -29.479 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -17.059 19.618 -26.192 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -18.672 20.019 -24.260 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -17.633 19.079 -24.880 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -19.886 20.029 -25.192 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -18.152 20.224 -27.081 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -19.493 20.325 -26.635 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -17.868 20.535 -28.431 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -20.501 20.646 -27.560 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -18.890 20.815 -29.365 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -20.206 20.885 -28.916 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -18.632 20.908 -30.826 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -21.286 21.178 -29.865 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -19.647 21.459 -31.767 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -20.964 21.532 -31.267 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -19.432 21.823 -33.116 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -22.046 21.921 -32.079 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -20.540 22.213 -33.902 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -21.834 22.255 -33.403 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -15.941 20.526 -26.020 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -14.722 19.914 -25.530 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -14.326 20.417 -24.244 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -13.714 21.712 -24.232 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -12.489 21.761 -25.166 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -13.329 22.035 -22.787 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -12.946 21.347 -26.578 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -13.548 19.943 -26.515 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -11.446 20.873 -24.726 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -11.222 21.109 -23.807 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -11.846 21.352 -27.549 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -11.092 20.756 -27.204 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -12.170 20.882 -28.400 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 -19.038 19.452 -22.875 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -18.174 19.180 -22.030 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -20.503 19.192 -22.553 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -20.649 17.916 -21.933 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -21.279 17.412 -22.486 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 -18.184 21.352 -24.110 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -17.618 21.426 -23.319 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -16.555 20.568 -28.824 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -16.427 21.328 -29.422 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -21.790 20.664 -27.085 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -22.139 21.584 -27.153 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -18.320 21.905 -33.903 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -17.272 22.830 -33.708 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11