REMARK VINA RESULT: -5.1 2.905 4.535 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 32.798 7.962 32.272 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 32.855 7.625 33.688 0.00 0.00 0.065 C ATOM 3 C UNL d 1 34.332 7.567 34.140 0.00 0.00 0.079 C ATOM 4 C UNL d 1 35.014 7.646 32.830 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 34.091 7.881 31.823 0.00 0.00 0.110 A ATOM 6 C UNL d 1 32.162 6.269 33.866 0.00 0.00 0.046 C ATOM 7 C UNL d 1 32.087 8.709 34.448 0.00 0.00 0.046 C ATOM 8 C UNL d 1 36.368 7.561 32.552 0.00 0.00 0.010 A ATOM 9 C UNL d 1 34.486 8.029 30.504 0.00 0.00 0.114 A ATOM 10 C UNL d 1 36.784 7.723 31.229 0.00 0.00 0.003 A ATOM 11 C UNL d 1 35.850 7.968 30.208 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 33.489 8.309 29.547 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 32.654 9.413 29.668 0.00 0.00 0.365 C ATOM 14 O UNL d 1 33.004 10.587 29.706 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 31.327 9.093 29.753 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 30.738 7.780 29.671 0.00 0.00 0.151 C ATOM 17 H UNL d 1 30.723 9.897 29.856 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2