REMARK VINA RESULT: -5.7 2.865 5.482 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 10.320 4.571 -11.100 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 10.925 5.324 -12.189 0.00 0.00 0.065 C ATOM 3 C UNL d 1 12.290 4.693 -12.549 0.00 0.00 0.079 C ATOM 4 C UNL d 1 12.448 3.743 -11.426 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 11.295 3.717 -10.655 0.00 0.00 0.110 A ATOM 6 C UNL d 1 11.088 6.772 -11.713 0.00 0.00 0.046 C ATOM 7 C UNL d 1 9.961 5.269 -13.376 0.00 0.00 0.046 C ATOM 8 C UNL d 1 13.524 2.923 -11.130 0.00 0.00 0.010 A ATOM 9 C UNL d 1 11.181 2.879 -9.559 0.00 0.00 0.114 A ATOM 10 C UNL d 1 13.418 2.062 -10.036 0.00 0.00 0.003 A ATOM 11 C UNL d 1 12.248 2.028 -9.258 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 9.961 2.881 -8.855 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 9.885 3.296 -7.531 0.00 0.00 0.365 C ATOM 14 O UNL d 1 10.081 4.431 -7.113 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 9.559 2.294 -6.658 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 9.243 0.925 -6.978 0.00 0.00 0.151 C ATOM 17 H UNL d 1 9.520 2.596 -5.693 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2