REMARK VINA RESULT: -6.4 2.178 4.856 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 -4.991 -2.823 2.962 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -4.930 -2.151 4.253 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -5.685 -0.805 4.162 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -5.909 -0.724 2.702 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -5.506 -1.901 2.090 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -3.451 -1.941 4.594 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -5.578 -3.079 5.283 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -6.476 0.305 1.969 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -5.645 -2.086 0.725 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -6.636 0.127 0.593 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -6.234 -1.068 -0.028 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -5.250 -3.328 0.187 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -4.083 -3.461 -0.555 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -3.161 -2.656 -0.610 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -4.018 -4.623 -1.275 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -4.977 -5.698 -1.286 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -3.174 -4.711 -1.826 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2