REMARK VINA RESULT: -1.5 3.364 9.036 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 -2.717 -20.222 5.867 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 1.370 -19.899 9.074 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -2.262 -15.141 6.544 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -0.804 -13.799 8.147 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -1.354 -13.923 6.722 0.00 0.00 0.083 C ATOM 6 C UNL d 1 0.147 -14.977 8.369 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -1.688 -16.381 7.241 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -0.505 -16.309 8.017 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -2.241 -17.655 6.976 0.00 0.00 0.090 A ATOM 10 C UNL d 1 0.122 -17.499 8.424 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -1.584 -18.849 7.350 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -0.408 -18.761 8.090 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -2.026 -20.186 6.875 0.00 0.00 0.200 C ATOM 14 C UNL d 1 0.293 -19.985 8.496 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -1.501 -21.444 7.476 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -0.319 -21.309 8.235 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -2.018 -22.746 7.286 0.00 0.00 0.083 A ATOM 18 C UNL d 1 0.354 -22.425 8.765 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -1.318 -23.844 7.835 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -0.143 -23.698 8.558 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -3.645 -14.907 6.916 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -4.489 -14.398 5.853 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -4.065 -13.112 5.374 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -4.385 -11.991 6.205 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -5.898 -11.921 6.493 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -3.893 -10.728 5.497 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -6.326 -13.258 7.131 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -5.989 -14.398 6.170 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -6.661 -11.703 5.293 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -6.552 -10.768 5.037 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -7.760 -13.300 7.438 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -7.890 -13.674 8.379 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -8.101 -12.336 7.500 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 -0.056 -12.455 8.236 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -0.542 -11.473 8.814 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 1.306 -12.327 7.567 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 1.145 -11.972 6.195 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 0.705 -12.733 5.765 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 -1.834 -13.833 9.135 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -2.352 -13.007 9.123 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -3.456 -17.714 6.343 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -4.153 -17.478 6.982 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 1.301 -17.369 9.116 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 1.761 -16.554 8.808 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -3.124 -23.236 6.656 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -3.136 -23.724 5.331 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11