REMARK VINA RESULT: -5.5 1.937 2.089 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 11.857 4.107 -12.901 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 15.874 7.267 -11.914 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 13.661 2.224 -8.464 0.00 0.00 0.164 C ATOM 4 C UNL d 1 15.787 2.767 -7.167 0.00 0.00 0.127 C ATOM 5 C UNL d 1 14.282 2.485 -7.091 0.00 0.00 0.083 C ATOM 6 C UNL d 1 15.961 4.106 -7.887 0.00 0.00 0.088 C ATOM 7 C UNL d 1 14.192 3.201 -9.520 0.00 0.00 0.014 A ATOM 8 C UNL d 1 15.205 4.142 -9.210 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 13.554 3.292 -10.778 0.00 0.00 0.090 A ATOM 10 C UNL d 1 15.482 5.177 -10.121 0.00 0.00 0.088 A ATOM 11 C UNL d 1 13.805 4.358 -11.671 0.00 0.00 0.066 A ATOM 12 C UNL d 1 14.785 5.290 -11.339 0.00 0.00 0.066 A ATOM 13 C UNL d 1 12.977 4.599 -12.881 0.00 0.00 0.200 C ATOM 14 C UNL d 1 15.070 6.405 -12.250 0.00 0.00 0.197 C ATOM 15 C UNL d 1 13.403 5.550 -13.945 0.00 0.00 0.062 A ATOM 16 C UNL d 1 14.412 6.464 -13.576 0.00 0.00 0.032 A ATOM 17 C UNL d 1 12.837 5.676 -15.235 0.00 0.00 0.083 A ATOM 18 C UNL d 1 14.831 7.494 -14.438 0.00 0.00 0.017 A ATOM 19 C UNL d 1 13.284 6.721 -16.076 0.00 0.00 0.038 A ATOM 20 C UNL d 1 14.261 7.628 -15.689 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 13.763 0.846 -8.907 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 13.495 -0.148 -7.887 0.00 0.00 0.263 C ATOM 23 O UNL d 1 14.673 -0.525 -7.156 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 15.576 -1.412 -7.826 0.00 0.00 0.151 C ATOM 25 C UNL d 1 14.861 -2.700 -8.282 0.00 0.00 0.179 C ATOM 26 C UNL d 1 16.725 -1.722 -6.865 0.00 0.00 0.042 C ATOM 27 C UNL d 1 13.673 -2.296 -9.176 0.00 0.00 0.253 C ATOM 28 C UNL d 1 12.736 -1.385 -8.381 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 14.374 -3.464 -7.165 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 14.598 -2.977 -6.350 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 12.914 -3.455 -9.660 0.00 0.00 0.085 N ATOM 32 H UNL d 1 11.918 -3.291 -9.506 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 13.008 -3.495 -10.680 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 16.315 2.839 -5.721 0.00 0.00 0.184 C ATOM 35 O UNL d 1 16.513 3.920 -5.150 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 16.630 1.541 -4.990 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 15.424 0.932 -4.534 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 14.950 0.629 -5.334 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 16.497 1.754 -7.879 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 17.231 2.142 -8.392 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 12.673 2.301 -11.130 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 12.328 2.492 -12.021 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 16.426 6.098 -9.738 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 17.189 6.046 -10.360 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 11.893 4.971 -15.922 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 10.554 5.385 -16.088 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11