REMARK VINA RESULT: -5.7 2.993 4.812 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 -3.982 -2.601 2.123 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -2.573 -2.585 1.756 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -1.867 -3.806 2.388 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -2.935 -4.293 3.289 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -4.103 -3.576 3.079 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -1.979 -1.269 2.268 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -2.498 -2.634 0.228 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -2.889 -5.331 4.204 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -5.261 -3.865 3.780 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -4.054 -5.644 4.909 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -5.240 -4.924 4.692 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -6.417 -3.118 3.476 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -7.119 -3.314 2.293 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -7.601 -4.370 1.901 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -7.248 -2.182 1.535 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -6.796 -0.854 1.865 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -7.746 -2.331 0.668 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2