FO1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.33Å | 1.39Å | |
| N1 | C13 | doub | 1.33Å | 1.35Å | |
| C1 | O1 | doub | 1.22Å | 1.20Å | |
| C1 | N2 | sing | 1.34Å | 1.37Å | |
| N2 | C2 | sing | 1.35Å | 1.37Å | |
| N2 | HN3 | sing | 0.97Å | 1.00Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| C2 | C3 | sing | 1.47Å | 1.50Å | |
| C3 | C4 | doub | 1.38Å | 1.28Å | |
| C3 | C13 | sing | 1.47Å | 1.39Å | |
| C4 | C5 | sing | 1.41Å | 1.39Å | |
| C4 | H21 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | C12 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.36Å | 1.36Å | Aromatic |
| C6 | HC6 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C7 | HC7 | sing | 1.08Å | 1.08Å | |
| C9 | O10 | sing | 1.36Å | 1.56Å | |
| C9 | C11 | sing | 1.38Å | 1.35Å | Aromatic |
| O10 | HC82 | sing | 0.97Å | 0.95Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | HC9 | sing | 1.08Å | 1.08Å | |
| C12 | N3 | sing | 1.38Å | 1.37Å | |
| N3 | C13 | sing | 1.36Å | 1.34Å | |
| N3 | C14 | sing | 1.47Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | HC11 | sing | 1.09Å | 1.10Å | |
| C14 | HC12 | sing | 1.09Å | 1.10Å | |
| C15 | O3 | sing | 1.43Å | 1.45Å | |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| C15 | HC2' | sing | 1.09Å | 1.10Å | |
| O3 | HO2' | sing | 0.97Å | 0.95Å | |
| C16 | O4 | sing | 1.43Å | 1.40Å | |
| C16 | C17 | sing | 1.53Å | 1.47Å | |
| C16 | HC3' | sing | 1.09Å | 1.10Å | |
| O4 | HO3' | sing | 0.97Å | 0.95Å | |
| C17 | O5 | sing | 1.43Å | 1.41Å | |
| C17 | C18 | sing | 1.53Å | 1.59Å | |
| C17 | HC4' | sing | 1.09Å | 1.10Å | |
| O5 | HO4' | sing | 0.97Å | 0.95Å | |
| C18 | O6 | sing | 1.43Å | 1.42Å | |
| C18 | HC51 | sing | 1.09Å | 1.10Å | |
| C18 | HC52 | sing | 1.09Å | 1.10Å | |
| O6 | HO5' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C13 | 126.6° | 121.5° |
| N1 | C1 | O1 | 126.0° | 118.0° |
| N1 | C1 | N2 | 116.2° | 124.0° |
| N1 | C13 | C3 | 119.2° | 118.4° |
| N1 | C13 | N3 | 124.1° | 121.9° |
| O1 | C1 | N2 | 117.8° | 118.0° |
| C1 | N2 | C2 | 121.6° | 121.2° |
| C1 | N2 | HN3 | 119.2° | 119.4° |
| C2 | N2 | HN3 | 119.2° | 119.5° |
| N2 | C2 | O2 | 124.3° | 121.4° |
| N2 | C2 | C3 | 120.7° | 117.1° |
| O2 | C2 | C3 | 114.9° | 121.5° |
| C2 | C3 | C4 | 118.3° | 122.3° |
| C2 | C3 | C13 | 115.7° | 117.8° |
| C4 | C3 | C13 | 126.0° | 119.9° |
| C3 | C4 | C5 | 115.3° | 118.8° |
| C3 | C4 | H21 | 122.4° | 120.6° |
| C3 | C13 | N3 | 116.7° | 119.7° |
| C5 | C4 | H21 | 122.3° | 120.6° |
| C4 | C5 | C6 | 117.4° | 120.0° |
| C4 | C5 | C12 | 123.8° | 120.2° |
| C6 | C5 | C12 | 118.8° | 119.8° |
| C5 | C6 | C7 | 119.3° | 119.9° |
| C5 | C6 | HC6 | 120.4° | 120.1° |
| C5 | C12 | C11 | 123.5° | 119.4° |
| C5 | C12 | N3 | 115.0° | 120.9° |
| C7 | C6 | HC6 | 120.4° | 120.0° |
| C6 | C7 | C9 | 119.9° | 120.5° |
| C6 | C7 | HC7 | 120.0° | 119.7° |
| C9 | C7 | HC7 | 120.0° | 119.7° |
| C7 | C9 | O10 | 117.0° | 119.7° |
| C7 | C9 | C11 | 123.2° | 120.5° |
| O10 | C9 | C11 | 119.8° | 119.8° |
| C9 | O10 | HC82 | 109.5° | 114.0° |
| C9 | C11 | C12 | 115.3° | 119.9° |
| C9 | C11 | HC9 | 122.4° | 120.0° |
| C12 | C11 | HC9 | 122.4° | 120.1° |
| C11 | C12 | N3 | 121.5° | 119.8° |
| C12 | N3 | C13 | 123.1° | 120.4° |
| C12 | N3 | C14 | 122.1° | 119.8° |
| C13 | N3 | C14 | 114.8° | 119.8° |
| N3 | C14 | C15 | 104.8° | 109.4° |
| N3 | C14 | HC11 | 111.1° | 109.5° |
| N3 | C14 | HC12 | 112.1° | 109.5° |
| C15 | C14 | HC11 | 111.0° | 109.5° |
| C15 | C14 | HC12 | 112.1° | 109.4° |
| C14 | C15 | O3 | 111.0° | 109.5° |
| C14 | C15 | C16 | 110.7° | 109.5° |
| C14 | C15 | HC2' | 105.9° | 109.5° |
| HC11 | C14 | HC12 | 105.9° | 109.5° |
| O3 | C15 | C16 | 103.5° | 109.5° |
| O3 | C15 | HC2' | 112.8° | 109.4° |
| C15 | O3 | HO2' | 109.5° | 114.0° |
| C16 | C15 | HC2' | 113.1° | 109.5° |
| C15 | C16 | O4 | 103.4° | 109.4° |
| C15 | C16 | C17 | 117.8° | 109.5° |
| C15 | C16 | HC3' | 109.8° | 109.5° |
| O4 | C16 | C17 | 113.8° | 109.4° |
| O4 | C16 | HC3' | 114.2° | 109.5° |
| C16 | O4 | HO3' | 109.5° | 114.1° |
| C17 | C16 | HC3' | 98.4° | 109.5° |
| C16 | C17 | O5 | 120.0° | 109.5° |
| C16 | C17 | C18 | 104.6° | 109.5° |
| C16 | C17 | HC4' | 103.2° | 109.6° |
| O5 | C17 | C18 | 99.0° | 109.4° |
| O5 | C17 | HC4' | 108.4° | 109.5° |
| C17 | O5 | HO4' | 109.5° | 114.0° |
| C18 | C17 | HC4' | 123.0° | 109.5° |
| C17 | C18 | O6 | 98.5° | 109.5° |
| C17 | C18 | HC51 | 113.3° | 109.4° |
| C17 | C18 | HC52 | 115.5° | 109.5° |
| O6 | C18 | HC51 | 113.3° | 109.5° |
| O6 | C18 | HC52 | 115.5° | 109.5° |
| C18 | O6 | HO5' | 109.5° | 114.0° |
| HC51 | C18 | HC52 | 101.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | O1 | N2 | 178.6° | 179.9° |
| N1 | C1 | N2 | C2 | 0.9° | 0.1° |
| N1 | C1 | N2 | HN3 | 179.1° | 180.0° |
| C1 | N1 | C13 | C3 | 0.6° | 0.1° |
| C1 | N1 | C13 | N3 | 179.1° | 180.0° |
| C13 | N1 | C1 | O1 | 178.7° | 180.0° |
| C13 | N1 | C1 | N2 | 0.1° | 0.1° |
| N1 | C13 | C3 | C2 | 0.5° | 0.0° |
| N1 | C13 | C3 | C4 | 178.6° | 179.9° |
| N1 | C13 | C3 | N3 | 179.7° | 179.9° |
| N1 | C13 | N3 | C12 | 177.6° | 179.9° |
| N1 | C13 | N3 | C14 | 1.5° | 0.0° |
| O1 | C1 | N2 | C2 | 179.7° | 180.0° |
| O1 | C1 | N2 | HN3 | 0.4° | 0.1° |
| C1 | N2 | C2 | HN3 | 180.0° | 179.9° |
| C1 | N2 | C2 | O2 | 177.6° | 180.0° |
| C1 | N2 | C2 | C3 | 1.0° | 0.0° |
| N2 | C2 | O2 | C3 | 178.7° | 180.0° |
| N2 | C2 | C3 | C4 | 179.5° | 179.9° |
| N2 | C2 | C3 | C13 | 0.3° | 0.0° |
| HN3 | N2 | C2 | O2 | 2.4° | 0.1° |
| HN3 | N2 | C2 | C3 | 179.0° | 180.0° |
| O2 | C2 | C3 | C4 | 0.8° | 0.0° |
| O2 | C2 | C3 | C13 | 178.4° | 180.0° |
| C2 | C3 | C4 | C13 | 179.1° | 180.0° |
| C2 | C3 | C4 | C5 | 176.7° | 180.0° |
| C2 | C3 | C4 | H21 | 3.3° | 0.1° |
| C2 | C3 | C13 | N3 | 179.3° | 180.0° |
| C3 | C4 | C5 | H21 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 176.3° | 180.0° |
| C3 | C4 | C5 | C12 | 3.6° | 0.0° |
| C4 | C3 | C13 | N3 | 1.6° | 0.0° |
| C13 | C3 | C4 | C5 | 4.2° | 0.0° |
| C13 | C3 | C4 | H21 | 175.8° | 180.0° |
| C3 | C13 | N3 | C12 | 2.1° | 0.0° |
| C3 | C13 | N3 | C14 | 178.8° | 179.9° |
| C4 | C5 | C6 | C12 | 179.9° | 180.0° |
| C4 | C5 | C6 | C7 | 179.4° | 180.0° |
| C4 | C5 | C6 | HC6 | 0.6° | 0.0° |
| C4 | C5 | C12 | C11 | 180.0° | 180.0° |
| C4 | C5 | C12 | N3 | 0.4° | 0.0° |
| H21 | C4 | C5 | C6 | 3.7° | 0.0° |
| H21 | C4 | C5 | C12 | 176.4° | 180.0° |
| C5 | C6 | C7 | HC6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C9 | 1.2° | 0.0° |
| C5 | C6 | C7 | HC7 | 178.8° | 180.0° |
| C6 | C5 | C12 | C11 | 0.1° | 0.0° |
| C6 | C5 | C12 | N3 | 179.5° | 180.0° |
| C12 | C5 | C6 | C7 | 0.5° | 0.0° |
| C12 | C5 | C6 | HC6 | 179.5° | 180.0° |
| C5 | C12 | C11 | C9 | 0.1° | 0.0° |
| C5 | C12 | C11 | N3 | 179.6° | 180.0° |
| C5 | C12 | C11 | HC9 | 179.9° | 180.0° |
| C5 | C12 | N3 | C13 | 2.5° | 0.0° |
| C5 | C12 | N3 | C14 | 178.4° | 179.9° |
| C6 | C7 | C9 | HC7 | 180.0° | 180.0° |
| C6 | C7 | C9 | O10 | 178.7° | 180.0° |
| C6 | C7 | C9 | C11 | 1.3° | 0.0° |
| HC6 | C6 | C7 | C9 | 178.8° | 179.9° |
| HC6 | C6 | C7 | HC7 | 1.2° | 0.1° |
| C7 | C9 | O10 | C11 | 180.0° | 180.0° |
| C7 | C9 | O10 | HC82 | 28.7° | 90.0° |
| C7 | C9 | C11 | C12 | 0.6° | 0.1° |
| C7 | C9 | C11 | HC9 | 179.4° | 180.0° |
| HC7 | C7 | C9 | O10 | 1.3° | 0.0° |
| HC7 | C7 | C9 | C11 | 178.7° | 180.0° |
| O10 | C9 | C11 | C12 | 179.4° | 180.0° |
| O10 | C9 | C11 | HC9 | 0.6° | 0.0° |
| C11 | C9 | O10 | HC82 | 151.2° | 90.0° |
| C9 | C11 | C12 | HC9 | 180.0° | 180.0° |
| C9 | C11 | C12 | N3 | 179.5° | 180.0° |
| C11 | C12 | N3 | C13 | 177.1° | 180.0° |
| C11 | C12 | N3 | C14 | 2.0° | 0.1° |
| HC9 | C11 | C12 | N3 | 0.5° | 0.0° |
| C12 | N3 | C13 | C14 | 179.1° | 179.9° |
| C12 | N3 | C14 | C15 | 76.4° | 90.0° |
| C12 | N3 | C14 | HC11 | 43.5° | 150.0° |
| C12 | N3 | C14 | HC12 | 161.8° | 29.9° |
| C13 | N3 | C14 | C15 | 104.4° | 90.1° |
| C13 | N3 | C14 | HC11 | 135.6° | 29.9° |
| C13 | N3 | C14 | HC12 | 17.4° | 150.0° |
| N3 | C14 | C15 | HC11 | 120.0° | 120.0° |
| N3 | C14 | C15 | HC12 | 121.8° | 120.0° |
| N3 | C14 | HC11 | HC12 | 121.9° | 120.1° |
| N3 | C14 | C15 | O3 | 74.0° | 60.0° |
| N3 | C14 | C15 | C16 | 171.6° | 180.0° |
| N3 | C14 | C15 | HC2' | 48.7° | 60.0° |
| C15 | C14 | HC11 | HC12 | 121.9° | 120.0° |
| C14 | C15 | O3 | C16 | 118.8° | 120.0° |
| C14 | C15 | O3 | HC2' | 118.6° | 120.0° |
| C14 | C15 | C16 | HC2' | 118.6° | 120.0° |
| C14 | C15 | O3 | HO2' | 121.9° | 60.0° |
| C14 | C15 | C16 | O4 | 73.9° | 60.0° |
| C14 | C15 | C16 | C17 | 52.5° | 180.0° |
| C14 | C15 | C16 | HC3' | 163.9° | 60.0° |
| HC11 | C14 | C15 | O3 | 166.0° | 180.0° |
| HC11 | C14 | C15 | C16 | 51.6° | 60.0° |
| HC11 | C14 | C15 | HC2' | 71.3° | 60.0° |
| HC12 | C14 | C15 | O3 | 47.8° | 60.0° |
| HC12 | C14 | C15 | C16 | 66.6° | 60.0° |
| HC12 | C14 | C15 | HC2' | 170.5° | 180.0° |
| O3 | C15 | C16 | HC2' | 122.4° | 120.0° |
| O3 | C15 | C16 | O4 | 45.1° | 179.9° |
| O3 | C15 | C16 | C17 | 171.5° | 60.0° |
| O3 | C15 | C16 | HC3' | 77.1° | 60.0° |
| C16 | C15 | O3 | HO2' | 119.3° | 60.0° |
| C15 | C16 | O4 | C17 | 128.9° | 119.9° |
| C15 | C16 | O4 | HC3' | 119.2° | 120.0° |
| C15 | C16 | C17 | HC3' | 117.7° | 120.0° |
| C15 | C16 | O4 | HO3' | 90.0° | 60.0° |
| C15 | C16 | C17 | O5 | 38.8° | 60.1° |
| C15 | C16 | C17 | C18 | 148.5° | 180.0° |
| C15 | C16 | C17 | HC4' | 81.8° | 60.0° |
| HC2' | C15 | O3 | HO2' | 3.3° | 180.0° |
| HC2' | C15 | C16 | O4 | 167.5° | 60.0° |
| HC2' | C15 | C16 | C17 | 66.1° | 59.9° |
| HC2' | C15 | C16 | HC3' | 45.3° | 180.0° |
| O4 | C16 | C17 | HC3' | 121.2° | 120.0° |
| O4 | C16 | C17 | O5 | 160.0° | 180.0° |
| O4 | C16 | C17 | C18 | 90.3° | 60.1° |
| O4 | C16 | C17 | HC4' | 39.4° | 60.0° |
| C17 | C16 | O4 | HO3' | 141.0° | 60.0° |
| C16 | C17 | O5 | C18 | 112.7° | 120.0° |
| C16 | C17 | O5 | HC4' | 118.0° | 120.1° |
| C16 | C17 | C18 | HC4' | 116.7° | 120.1° |
| C16 | C17 | O5 | HO4' | 136.6° | 59.9° |
| C16 | C17 | C18 | O6 | 94.6° | 175.0° |
| C16 | C17 | C18 | HC51 | 25.4° | 55.1° |
| C16 | C17 | C18 | HC52 | 141.7° | 65.0° |
| HC3' | C16 | O4 | HO3' | 29.2° | 180.0° |
| HC3' | C16 | C17 | O5 | 78.9° | 60.0° |
| HC3' | C16 | C17 | C18 | 30.8° | 60.0° |
| HC3' | C16 | C17 | HC4' | 160.5° | 180.0° |
| O5 | C17 | C18 | HC4' | 118.9° | 119.9° |
| O5 | C17 | C18 | O6 | 141.1° | 65.0° |
| O5 | C17 | C18 | HC51 | 98.9° | 175.0° |
| O5 | C17 | C18 | HC52 | 17.4° | 55.0° |
| C18 | C17 | O5 | HO4' | 110.7° | 60.0° |
| C17 | C18 | O6 | HC51 | 120.0° | 120.0° |
| C17 | C18 | O6 | HC52 | 123.6° | 120.0° |
| C17 | C18 | HC51 | HC52 | 124.4° | 120.0° |
| C17 | C18 | O6 | HO5' | 119.0° | 180.0° |
| HC4' | C17 | O5 | HO4' | 18.6° | 180.0° |
| HC4' | C17 | C18 | O6 | 22.1° | 54.9° |
| HC4' | C17 | C18 | HC51 | 142.1° | 65.0° |
| HC4' | C17 | C18 | HC52 | 101.5° | 174.9° |
| O6 | C18 | HC51 | HC52 | 124.4° | 120.0° |
| HC51 | C18 | O6 | HO5' | 1.0° | 60.0° |
| HC52 | C18 | O6 | HO5' | 117.3° | 60.0° |
