MODEL 1 REMARK VINA RESULT: 41.0 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 18.746 -5.048 -1.242 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 21.574 -6.001 -5.507 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 23.418 -3.408 0.159 0.00 0.00 0.164 C ATOM 4 C UNL d 1 25.680 -3.640 -0.994 0.00 0.00 0.127 C ATOM 5 C UNL d 1 24.729 -2.718 -0.222 0.00 0.00 0.083 C ATOM 6 C UNL d 1 25.030 -3.926 -2.350 0.00 0.00 0.088 C ATOM 7 C UNL d 1 22.872 -4.259 -0.993 0.00 0.00 0.014 A ATOM 8 C UNL d 1 23.595 -4.417 -2.201 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 21.551 -4.761 -0.931 0.00 0.00 0.090 A ATOM 10 C UNL d 1 22.955 -4.987 -3.315 0.00 0.00 0.088 A ATOM 11 C UNL d 1 20.899 -5.294 -2.065 0.00 0.00 0.066 A ATOM 12 C UNL d 1 21.615 -5.418 -3.252 0.00 0.00 0.066 A ATOM 13 C UNL d 1 19.445 -5.603 -2.078 0.00 0.00 0.200 C ATOM 14 C UNL d 1 20.963 -5.972 -4.445 0.00 0.00 0.197 C ATOM 15 C UNL d 1 18.823 -6.401 -3.172 0.00 0.00 0.062 A ATOM 16 C UNL d 1 19.590 -6.520 -4.350 0.00 0.00 0.032 A ATOM 17 C UNL d 1 17.525 -6.963 -3.169 0.00 0.00 0.083 A ATOM 18 C UNL d 1 19.084 -7.145 -5.504 0.00 0.00 0.017 A ATOM 19 C UNL d 1 17.050 -7.586 -4.345 0.00 0.00 0.038 A ATOM 20 C UNL d 1 17.807 -7.673 -5.505 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 23.484 -4.160 1.399 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 23.299 -5.590 1.259 0.00 0.00 0.263 C ATOM 23 O UNL d 1 21.921 -5.958 1.091 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 21.112 -5.939 2.274 0.00 0.00 0.151 C ATOM 25 C UNL d 1 21.716 -6.828 3.379 0.00 0.00 0.179 C ATOM 26 C UNL d 1 19.707 -6.405 1.888 0.00 0.00 0.042 C ATOM 27 C UNL d 1 23.154 -6.344 3.650 0.00 0.00 0.253 C ATOM 28 C UNL d 1 23.962 -6.433 2.355 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 21.747 -8.214 2.992 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 21.547 -8.261 2.039 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 23.827 -7.136 4.687 0.00 0.00 0.085 N ATOM 32 H UNL d 1 24.323 -7.912 4.247 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 24.570 -6.560 5.095 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 27.014 -2.889 -1.163 0.00 0.00 0.184 C ATOM 35 O UNL d 1 27.354 -2.393 -2.246 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 27.951 -2.781 0.032 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 28.887 -3.858 0.018 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 28.454 -4.591 -0.464 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 25.915 -4.874 -0.316 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 25.080 -5.360 -0.182 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 20.903 -4.729 0.277 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 21.467 -5.162 0.945 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 23.683 -5.054 -4.478 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 24.057 -5.962 -4.565 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 16.545 -7.063 -2.225 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 16.525 -8.031 -1.198 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11 ENDMDL