REMARK VINA RESULT: -4.9 1.950 4.085 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 -1.909 -3.429 6.985 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -1.210 -2.429 6.190 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -0.307 -3.140 5.155 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -0.400 -4.536 5.637 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -1.330 -4.628 6.662 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -0.385 -1.569 7.153 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -2.271 -1.570 5.498 0.00 0.00 0.046 C ATOM 8 C UNL d 1 0.261 -5.659 5.170 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -1.624 -5.841 7.261 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -0.036 -6.893 5.754 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -0.983 -6.989 6.787 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -2.612 -5.856 8.265 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -3.866 -6.413 8.044 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -4.096 -7.558 7.674 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -4.901 -5.549 8.276 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -4.817 -4.196 8.764 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -5.811 -5.953 8.100 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2