REMARK VINA RESULT: -3.4 1.851 4.976 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 -1.696 -2.997 6.194 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -2.956 -7.978 7.035 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 2.635 -5.451 4.890 0.00 0.00 0.164 C ATOM 4 C UNL d 1 3.314 -7.892 5.171 0.00 0.00 0.127 C ATOM 5 C UNL d 1 3.304 -6.668 4.248 0.00 0.00 0.083 C ATOM 6 C UNL d 1 1.862 -8.344 5.339 0.00 0.00 0.088 C ATOM 7 C UNL d 1 1.355 -5.841 5.640 0.00 0.00 0.014 A ATOM 8 C UNL d 1 0.955 -7.194 5.763 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 0.462 -4.834 6.075 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -0.338 -7.488 6.230 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -0.851 -5.133 6.503 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -1.238 -6.467 6.593 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -1.875 -4.080 6.733 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -2.595 -6.806 7.038 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -3.158 -4.374 7.430 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -3.504 -5.739 7.518 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -4.084 -3.425 7.922 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -4.740 -6.159 8.044 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -5.314 -3.882 8.447 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -5.651 -5.227 8.503 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 3.522 -4.656 5.718 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 4.433 -3.796 4.990 0.00 0.00 0.263 C ATOM 23 O UNL d 1 3.785 -2.638 4.440 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 3.000 -2.852 3.261 0.00 0.00 0.151 C ATOM 25 C UNL d 1 3.834 -3.512 2.145 0.00 0.00 0.179 C ATOM 26 C UNL d 1 2.443 -1.499 2.817 0.00 0.00 0.042 C ATOM 27 C UNL d 1 4.422 -4.824 2.699 0.00 0.00 0.253 C ATOM 28 C UNL d 1 5.277 -4.509 3.926 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 4.907 -2.660 1.706 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 5.664 -2.801 2.306 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 5.247 -5.531 1.712 0.00 0.00 0.085 N ATOM 32 H UNL d 1 4.791 -5.484 0.799 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 6.116 -5.004 1.587 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 4.160 -8.981 4.482 0.00 0.00 0.184 C ATOM 35 O UNL d 1 4.772 -8.764 3.427 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 4.216 -10.369 5.105 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 5.145 -10.381 6.188 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 5.449 -11.306 6.277 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 3.870 -7.605 6.454 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 4.840 -7.712 6.443 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 0.903 -3.536 6.082 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 1.706 -3.483 6.632 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -0.695 -8.814 6.264 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -0.052 -9.300 6.832 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -4.071 -2.065 8.028 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -2.952 -1.254 7.741 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11