REMARK VINA RESULT: -5.5 2.669 5.595 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 10.571 4.708 -11.399 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 10.804 5.723 -12.417 0.00 0.00 0.065 C ATOM 3 C UNL d 1 12.218 5.531 -13.014 0.00 0.00 0.079 C ATOM 4 C UNL d 1 12.769 4.531 -12.073 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 11.784 4.102 -11.198 0.00 0.00 0.110 A ATOM 6 C UNL d 1 10.663 7.092 -11.744 0.00 0.00 0.046 C ATOM 7 C UNL d 1 9.725 5.552 -13.489 0.00 0.00 0.046 C ATOM 8 C UNL d 1 14.049 4.003 -12.023 0.00 0.00 0.010 A ATOM 9 C UNL d 1 12.043 3.139 -10.238 0.00 0.00 0.114 A ATOM 10 C UNL d 1 14.321 3.019 -11.070 0.00 0.00 0.003 A ATOM 11 C UNL d 1 13.322 2.578 -10.187 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 10.975 2.726 -9.416 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 10.883 3.124 -8.088 0.00 0.00 0.365 C ATOM 14 O UNL d 1 10.503 4.216 -7.682 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 11.273 2.162 -7.197 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 11.692 0.815 -7.493 0.00 0.00 0.151 C ATOM 17 H UNL d 1 11.219 2.459 -6.232 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2