REMARK VINA RESULT: -3.4 2.332 5.389 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 1.601 15.242 -15.321 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 2.219 16.852 -20.233 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -3.249 15.400 -17.035 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -4.220 16.326 -19.202 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -4.236 15.182 -18.182 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -2.860 16.289 -19.902 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -1.905 15.939 -17.540 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -1.707 16.264 -18.905 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -0.786 15.959 -16.676 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -0.404 16.510 -19.369 0.00 0.00 0.088 A ATOM 11 C UNL d 1 0.527 16.165 -17.156 0.00 0.00 0.066 A ATOM 12 C UNL d 1 0.707 16.456 -18.506 0.00 0.00 0.066 A ATOM 13 C UNL d 1 1.729 15.952 -16.309 0.00 0.00 0.200 C ATOM 14 C UNL d 1 2.060 16.678 -19.030 0.00 0.00 0.197 C ATOM 15 C UNL d 1 3.079 16.420 -16.732 0.00 0.00 0.062 A ATOM 16 C UNL d 1 3.215 16.725 -18.103 0.00 0.00 0.032 A ATOM 17 C UNL d 1 4.234 16.499 -15.920 0.00 0.00 0.083 A ATOM 18 C UNL d 1 4.457 17.066 -18.668 0.00 0.00 0.017 A ATOM 19 C UNL d 1 5.465 16.849 -16.520 0.00 0.00 0.038 A ATOM 20 C UNL d 1 5.588 17.121 -17.875 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -3.775 16.201 -15.946 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -4.643 15.493 -15.026 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -4.884 16.225 -13.814 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -3.820 16.227 -12.854 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -3.405 14.791 -12.475 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -4.294 17.012 -11.631 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -3.020 14.047 -13.769 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -4.215 14.052 -14.722 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -4.472 14.082 -11.821 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -4.688 13.301 -12.364 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -2.615 12.658 -13.519 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -3.213 12.032 -14.060 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -1.681 12.522 -13.918 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 -5.367 16.072 -20.199 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -5.594 14.946 -20.662 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -6.224 17.248 -20.645 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -7.193 17.555 -19.644 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -6.726 18.077 -18.961 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 -4.400 17.604 -18.592 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -3.617 17.849 -18.063 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -1.002 15.778 -15.334 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -0.776 14.859 -15.102 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -0.264 16.753 -20.714 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -0.910 17.450 -20.978 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 4.463 16.313 -14.589 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 4.670 15.054 -13.985 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11