REMARK VINA RESULT: -5.2 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 16.639 -28.965 -2.626 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 17.944 -31.970 -6.673 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 20.844 -31.370 -0.888 0.00 0.00 0.164 C ATOM 4 C UNL d 1 22.184 -33.301 -1.872 0.00 0.00 0.127 C ATOM 5 C UNL d 1 22.234 -31.939 -1.172 0.00 0.00 0.083 C ATOM 6 C UNL d 1 21.610 -33.070 -3.272 0.00 0.00 0.088 C ATOM 7 C UNL d 1 19.896 -31.572 -2.077 0.00 0.00 0.014 A ATOM 8 C UNL d 1 20.301 -32.291 -3.228 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 18.657 -30.891 -2.111 0.00 0.00 0.090 A ATOM 10 C UNL d 1 19.505 -32.237 -4.385 0.00 0.00 0.088 A ATOM 11 C UNL d 1 17.883 -30.805 -3.290 0.00 0.00 0.066 A ATOM 12 C UNL d 1 18.308 -31.496 -4.421 0.00 0.00 0.066 A ATOM 13 C UNL d 1 16.708 -29.902 -3.409 0.00 0.00 0.200 C ATOM 14 C UNL d 1 17.521 -31.427 -5.658 0.00 0.00 0.197 C ATOM 15 C UNL d 1 15.750 -30.010 -4.545 0.00 0.00 0.062 A ATOM 16 C UNL d 1 16.210 -30.735 -5.663 0.00 0.00 0.032 A ATOM 17 C UNL d 1 14.483 -29.388 -4.637 0.00 0.00 0.083 A ATOM 18 C UNL d 1 15.462 -30.821 -6.852 0.00 0.00 0.017 A ATOM 19 C UNL d 1 13.756 -29.498 -5.844 0.00 0.00 0.038 A ATOM 20 C UNL d 1 14.234 -30.194 -6.945 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 20.256 -31.838 0.354 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 21.201 -32.095 1.422 0.00 0.00 0.263 C ATOM 23 O UNL d 1 21.572 -33.479 1.515 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 20.609 -34.352 2.117 0.00 0.00 0.151 C ATOM 25 C UNL d 1 20.214 -33.865 3.525 0.00 0.00 0.179 C ATOM 26 C UNL d 1 21.214 -35.756 2.162 0.00 0.00 0.042 C ATOM 27 C UNL d 1 19.691 -32.420 3.402 0.00 0.00 0.253 C ATOM 28 C UNL d 1 20.786 -31.545 2.792 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 21.331 -33.889 4.431 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 22.063 -34.359 3.989 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 19.294 -31.854 4.697 0.00 0.00 0.085 N ATOM 32 H UNL d 1 20.130 -31.689 5.260 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 18.912 -30.918 4.532 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 23.627 -33.837 -1.943 0.00 0.00 0.184 C ATOM 35 O UNL d 1 24.488 -33.306 -2.658 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 23.991 -35.073 -1.132 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 23.896 -34.788 0.262 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 23.348 -33.981 0.340 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 21.365 -34.243 -1.178 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 20.507 -34.353 -1.628 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 18.205 -30.311 -0.954 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 17.466 -29.714 -1.171 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 19.980 -32.899 -5.492 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 20.747 -33.456 -5.222 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 13.728 -28.657 -3.767 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 12.532 -27.993 -4.115 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11