REMARK VINA RESULT: -4.5 1.702 3.232 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 19.213 -31.983 -2.388 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 18.880 -32.344 -3.758 0.00 0.00 0.065 C ATOM 3 C UNL d 1 18.187 -31.146 -4.447 0.00 0.00 0.079 C ATOM 4 C UNL d 1 17.968 -30.261 -3.282 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 18.583 -30.788 -2.157 0.00 0.00 0.110 A ATOM 6 C UNL d 1 17.958 -33.566 -3.702 0.00 0.00 0.046 C ATOM 7 C UNL d 1 20.188 -32.707 -4.467 0.00 0.00 0.046 C ATOM 8 C UNL d 1 17.305 -29.046 -3.231 0.00 0.00 0.010 A ATOM 9 C UNL d 1 18.550 -30.126 -0.942 0.00 0.00 0.114 A ATOM 10 C UNL d 1 17.276 -28.359 -2.015 0.00 0.00 0.003 A ATOM 11 C UNL d 1 17.905 -28.888 -0.876 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 19.237 -30.709 0.142 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 20.352 -30.102 0.707 0.00 0.00 0.365 C ATOM 14 O UNL d 1 20.912 -29.090 0.302 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 20.826 -30.747 1.817 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 20.265 -31.908 2.459 0.00 0.00 0.151 C ATOM 17 H UNL d 1 21.647 -30.312 2.217 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2