REMARK VINA RESULT: -4.5 2.660 8.555 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 -6.625 -3.206 0.256 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -3.363 -1.416 3.896 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -3.003 -6.859 0.363 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -0.744 -6.930 1.543 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -2.019 -7.699 1.179 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -1.147 -5.822 2.519 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -3.114 -5.431 0.910 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -2.304 -4.986 1.984 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -4.155 -4.586 0.460 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -2.610 -3.769 2.616 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -4.485 -3.384 1.126 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -3.694 -2.974 2.197 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -5.716 -2.611 0.816 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -4.012 -1.728 2.904 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -5.920 -1.226 1.326 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -5.086 -0.843 2.397 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -6.914 -0.313 0.903 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -5.244 0.390 3.057 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -7.043 0.918 1.586 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -6.231 1.270 2.655 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -2.747 -6.870 -1.065 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -1.728 -5.942 -1.512 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -2.261 -4.870 -2.307 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -2.601 -5.195 -3.660 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -1.396 -5.796 -4.411 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -3.100 -3.917 -4.336 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -0.908 -7.028 -3.623 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -0.527 -6.594 -2.207 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -0.318 -4.853 -4.532 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 0.474 -5.251 -4.124 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 0.250 -7.674 -4.253 0.00 0.00 0.085 N ATOM 32 H UNL d 1 0.069 -8.675 -4.338 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 0.311 -7.345 -5.221 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 0.225 -7.930 2.204 0.00 0.00 0.184 C ATOM 35 O UNL d 1 1.190 -8.407 1.593 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -0.036 -8.362 3.641 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 0.736 -7.566 4.538 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 1.317 -7.010 3.981 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 -0.114 -6.346 0.403 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -0.299 -6.869 -0.400 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -4.849 -4.956 -0.663 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -5.259 -5.826 -0.505 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -1.831 -3.421 3.693 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -2.207 -3.840 4.503 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -7.848 -0.333 -0.090 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -8.493 0.815 -0.600 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11