REMARK VINA RESULT: -4.8 2.330 3.541 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 15.002 43.770 26.354 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 16.280 43.601 25.677 0.00 0.00 0.065 C ATOM 3 C UNL d 1 16.638 44.907 24.930 0.00 0.00 0.079 C ATOM 4 C UNL d 1 15.363 45.646 25.062 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 14.491 44.953 25.887 0.00 0.00 0.110 A ATOM 6 C UNL d 1 16.135 42.424 24.707 0.00 0.00 0.046 C ATOM 7 C UNL d 1 17.325 43.273 26.746 0.00 0.00 0.046 C ATOM 8 C UNL d 1 15.014 46.873 24.523 0.00 0.00 0.010 A ATOM 9 C UNL d 1 13.238 45.456 26.195 0.00 0.00 0.114 A ATOM 10 C UNL d 1 13.759 47.401 24.836 0.00 0.00 0.003 A ATOM 11 C UNL d 1 12.877 46.703 25.679 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 12.429 44.711 27.076 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 12.514 44.872 28.454 0.00 0.00 0.365 C ATOM 14 O UNL d 1 12.428 45.929 29.068 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 12.716 43.702 29.134 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 12.786 42.372 28.582 0.00 0.00 0.151 C ATOM 17 H UNL d 1 12.792 43.824 30.135 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2