REMARK VINA RESULT: -5.4 2.497 4.358 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_2 and C_12 REMARK 2 A between atoms: O_2 and C_15 REMARK I between atoms: N_4 and C_15 ROOT ATOM 1 O UNL d 1 9.121 -15.518 6.479 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 9.905 -14.365 6.897 0.00 0.00 0.065 C ATOM 3 C UNL d 1 10.260 -13.512 5.657 0.00 0.00 0.079 C ATOM 4 C UNL d 1 9.829 -14.426 4.575 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 9.184 -15.530 5.110 0.00 0.00 0.110 A ATOM 6 C UNL d 1 11.165 -14.892 7.592 0.00 0.00 0.046 C ATOM 7 C UNL d 1 9.054 -13.568 7.889 0.00 0.00 0.046 C ATOM 8 C UNL d 1 9.959 -14.268 3.206 0.00 0.00 0.010 A ATOM 9 C UNL d 1 8.655 -16.519 4.297 0.00 0.00 0.114 A ATOM 10 C UNL d 1 9.418 -15.249 2.372 0.00 0.00 0.003 A ATOM 11 C UNL d 1 8.758 -16.365 2.912 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 7.977 -17.587 4.918 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 6.876 -17.371 5.738 0.00 0.00 0.365 C ATOM 14 O UNL d 1 5.855 -16.764 5.437 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 7.008 -17.909 6.989 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 8.107 -18.694 7.491 0.00 0.00 0.151 C ATOM 17 H UNL d 1 6.212 -17.737 7.588 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2