REMARK VINA RESULT: -5.1 2.951 8.847 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 14.634 3.375 -6.959 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 12.639 -0.464 -9.856 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 12.256 5.966 -10.716 0.00 0.00 0.164 C ATOM 4 C UNL d 1 11.182 5.151 -12.879 0.00 0.00 0.127 C ATOM 5 C UNL d 1 11.066 6.086 -11.670 0.00 0.00 0.083 C ATOM 6 C UNL d 1 11.065 3.718 -12.356 0.00 0.00 0.088 C ATOM 7 C UNL d 1 12.664 4.504 -10.502 0.00 0.00 0.014 A ATOM 8 C UNL d 1 12.032 3.451 -11.209 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 13.564 4.170 -9.463 0.00 0.00 0.090 A ATOM 10 C UNL d 1 12.253 2.123 -10.804 0.00 0.00 0.088 A ATOM 11 C UNL d 1 13.749 2.837 -9.033 0.00 0.00 0.066 A ATOM 12 C UNL d 1 13.100 1.815 -9.722 0.00 0.00 0.066 A ATOM 13 C UNL d 1 14.501 2.494 -7.798 0.00 0.00 0.200 C ATOM 14 C UNL d 1 13.278 0.422 -9.298 0.00 0.00 0.197 C ATOM 15 C UNL d 1 14.915 1.095 -7.496 0.00 0.00 0.062 A ATOM 16 C UNL d 1 14.249 0.091 -8.228 0.00 0.00 0.032 A ATOM 17 C UNL d 1 15.832 0.687 -6.499 0.00 0.00 0.083 A ATOM 18 C UNL d 1 14.452 -1.276 -7.968 0.00 0.00 0.017 A ATOM 19 C UNL d 1 16.014 -0.695 -6.266 0.00 0.00 0.038 A ATOM 20 C UNL d 1 15.332 -1.671 -6.979 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 13.392 6.793 -11.080 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 13.938 6.539 -12.398 0.00 0.00 0.263 C ATOM 23 O UNL d 1 14.882 5.457 -12.410 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 16.186 5.750 -11.894 0.00 0.00 0.151 C ATOM 25 C UNL d 1 16.821 6.950 -12.625 0.00 0.00 0.179 C ATOM 26 C UNL d 1 17.041 4.490 -12.041 0.00 0.00 0.042 C ATOM 27 C UNL d 1 15.863 8.150 -12.497 0.00 0.00 0.253 C ATOM 28 C UNL d 1 14.511 7.774 -13.104 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 17.045 6.669 -14.017 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 16.993 5.702 -14.138 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 16.372 9.350 -13.171 0.00 0.00 0.085 N ATOM 32 H UNL d 1 16.561 10.071 -12.473 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 17.293 9.129 -13.561 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 10.023 5.491 -13.837 0.00 0.00 0.184 C ATOM 35 O UNL d 1 8.854 5.589 -13.440 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 10.327 5.682 -15.316 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 10.922 4.500 -15.849 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 10.319 4.183 -16.551 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 12.423 5.301 -13.569 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 12.828 4.431 -13.745 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 14.276 5.183 -8.873 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 14.326 5.932 -9.495 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 11.563 1.149 -11.483 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 10.677 1.039 -11.064 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 16.655 1.360 -5.645 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 16.292 1.765 -4.342 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11