REMARK VINA RESULT: -6.5 2.057 4.779 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 -4.886 -2.816 3.392 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -4.781 -1.961 4.566 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -5.561 -0.651 4.315 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -5.851 -0.787 2.871 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -5.455 -2.036 2.418 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -3.292 -1.688 4.805 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -5.367 -2.735 5.749 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -6.466 0.118 2.022 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -5.649 -2.420 1.103 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -6.683 -0.261 0.695 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -6.288 -1.529 0.237 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -5.257 -3.723 0.734 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -5.148 -4.100 -0.599 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -6.036 -4.580 -1.293 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -3.903 -3.895 -1.129 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -2.765 -3.294 -0.479 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -3.822 -4.184 -2.094 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2