REMARK VINA RESULT: -4.9 2.474 5.415 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 14.447 5.771 -11.881 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 10.823 2.055 -11.480 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 16.701 2.386 -8.728 0.00 0.00 0.164 C ATOM 4 C UNL d 1 15.772 0.311 -7.574 0.00 0.00 0.127 C ATOM 5 C UNL d 1 16.949 0.927 -8.339 0.00 0.00 0.083 C ATOM 6 C UNL d 1 14.598 0.215 -8.550 0.00 0.00 0.088 C ATOM 7 C UNL d 1 15.272 2.598 -9.243 0.00 0.00 0.014 A ATOM 8 C UNL d 1 14.323 1.546 -9.242 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 14.931 3.808 -9.891 0.00 0.00 0.090 A ATOM 10 C UNL d 1 13.119 1.707 -9.949 0.00 0.00 0.088 A ATOM 11 C UNL d 1 13.739 3.949 -10.635 0.00 0.00 0.066 A ATOM 12 C UNL d 1 12.829 2.895 -10.646 0.00 0.00 0.066 A ATOM 13 C UNL d 1 13.479 5.121 -11.512 0.00 0.00 0.200 C ATOM 14 C UNL d 1 11.580 3.017 -11.408 0.00 0.00 0.197 C ATOM 15 C UNL d 1 12.128 5.390 -12.080 0.00 0.00 0.062 A ATOM 16 C UNL d 1 11.229 4.304 -12.053 0.00 0.00 0.032 A ATOM 17 C UNL d 1 11.704 6.583 -12.710 0.00 0.00 0.083 A ATOM 18 C UNL d 1 9.960 4.375 -12.656 0.00 0.00 0.017 A ATOM 19 C UNL d 1 10.422 6.621 -13.303 0.00 0.00 0.038 A ATOM 20 C UNL d 1 9.558 5.535 -13.290 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 17.045 3.341 -7.691 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 15.923 3.857 -6.934 0.00 0.00 0.263 C ATOM 23 O UNL d 1 15.721 5.266 -7.128 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 16.625 6.135 -6.436 0.00 0.00 0.151 C ATOM 25 C UNL d 1 16.622 5.854 -4.920 0.00 0.00 0.179 C ATOM 26 C UNL d 1 16.211 7.577 -6.737 0.00 0.00 0.042 C ATOM 27 C UNL d 1 16.969 4.367 -4.709 0.00 0.00 0.253 C ATOM 28 C UNL d 1 15.940 3.506 -5.442 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 15.340 6.130 -4.329 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 14.732 6.390 -5.045 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 16.984 3.990 -3.291 0.00 0.00 0.085 N ATOM 32 H UNL d 1 17.755 4.469 -2.825 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 16.144 4.376 -2.849 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 16.214 -1.085 -7.095 0.00 0.00 0.184 C ATOM 35 O UNL d 1 16.162 -2.077 -7.835 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 16.701 -1.249 -5.662 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 15.587 -1.343 -4.776 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 14.792 -1.411 -5.341 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 15.383 1.095 -6.445 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 14.449 1.366 -6.518 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 15.793 4.869 -9.775 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 16.563 4.590 -9.246 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 12.267 0.629 -9.968 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 11.552 0.780 -9.307 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 12.277 7.807 -12.890 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 12.302 8.502 -14.119 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11