5XN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O27 | C26 | doub | 1.21Å | 1.25Å | |
| O28 | C26 | sing | 1.34Å | 1.25Å | |
| C26 | C25 | sing | 1.51Å | 1.54Å | |
| C25 | N29 | sing | 1.47Å | 1.47Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | C1 | sing | 1.51Å | 1.53Å | |
| O23 | C5 | doub | 1.22Å | 1.25Å | |
| C1 | C5 | sing | 1.41Å | 1.43Å | |
| C1 | C2 | doub | 1.37Å | 1.34Å | |
| C5 | N4 | sing | 1.35Å | 1.36Å | |
| N10 | C6 | doub | 1.32Å | 1.33Å | Aromatic |
| N10 | N9 | sing | 1.29Å | 1.35Å | Aromatic |
| C2 | C6 | sing | 1.48Å | 1.48Å | |
| C2 | O3 | sing | 1.34Å | 1.37Å | |
| N4 | O3 | sing | 1.21Å | 1.42Å | |
| C11 | N9 | sing | 1.46Å | 1.45Å | |
| C11 | C15 | sing | 1.51Å | 1.52Å | |
| C6 | N7 | sing | 1.34Å | 1.36Å | Aromatic |
| N9 | N8 | sing | 1.29Å | 1.36Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| N7 | N8 | doub | 1.29Å | 1.29Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | CL1 | sing | 1.74Å | 1.73Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| O28 | H2 | sing | 0.97Å | 0.95Å | |
| N29 | H293 | sing | 1.01Å | 1.00Å | |
| N29 | H291 | sing | 1.01Å | 1.00Å | |
| N29 | H292 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | C26 | O28 | 122.1° | 120.0° |
| O27 | C26 | C25 | 118.2° | 120.0° |
| O28 | C26 | C25 | 119.7° | 120.0° |
| C26 | O28 | H2 | 109.5° | 117.0° |
| C26 | C25 | N29 | 107.8° | 109.5° |
| C26 | C25 | C24 | 112.1° | 109.5° |
| C26 | C25 | H25 | 107.6° | 109.4° |
| N29 | C25 | C24 | 113.2° | 109.5° |
| N29 | C25 | H25 | 108.5° | 109.5° |
| C25 | N29 | H293 | 109.5° | 109.4° |
| C25 | N29 | H291 | 109.4° | 109.4° |
| C25 | N29 | H292 | 109.4° | 109.5° |
| C25 | C24 | C1 | 114.4° | 109.5° |
| C25 | C24 | H241 | 108.2° | 109.5° |
| C25 | C24 | H242 | 108.2° | 109.5° |
| C24 | C25 | H25 | 107.5° | 109.5° |
| C24 | C1 | C5 | 123.2° | 127.9° |
| C24 | C1 | C2 | 130.3° | 128.0° |
| C1 | C24 | H241 | 108.2° | 109.5° |
| C1 | C24 | H242 | 108.2° | 109.5° |
| O23 | C5 | C1 | 126.0° | 127.0° |
| O23 | C5 | N4 | 126.7° | 127.1° |
| C5 | C1 | C2 | 106.5° | 104.1° |
| C1 | C5 | N4 | 107.3° | 105.9° |
| C1 | C2 | C6 | 128.6° | 126.4° |
| C1 | C2 | O3 | 111.9° | 107.1° |
| C5 | N4 | O3 | 109.3° | 110.9° |
| C5 | N4 | H1 | 125.4° | 124.5° |
| C6 | N10 | N9 | 98.2° | 107.8° |
| N10 | C6 | C2 | 123.6° | 126.7° |
| N10 | C6 | N7 | 116.1° | 106.6° |
| N10 | N9 | C11 | 124.5° | 125.3° |
| N10 | N9 | N8 | 114.3° | 109.4° |
| C6 | C2 | O3 | 119.6° | 126.5° |
| C2 | C6 | N7 | 120.3° | 126.7° |
| C2 | O3 | N4 | 105.1° | 112.0° |
| O3 | N4 | H1 | 125.3° | 124.6° |
| N9 | C11 | C15 | 109.8° | 109.5° |
| C11 | N9 | N8 | 121.2° | 125.3° |
| N9 | C11 | H111 | 109.4° | 109.4° |
| N9 | C11 | H112 | 109.4° | 109.5° |
| C11 | C15 | C16 | 120.3° | 120.0° |
| C11 | C15 | C14 | 120.1° | 120.0° |
| C15 | C11 | H111 | 109.4° | 109.4° |
| C15 | C11 | H112 | 109.4° | 109.5° |
| C6 | N7 | N8 | 104.9° | 107.3° |
| N9 | N8 | N7 | 106.5° | 109.0° |
| C16 | C15 | C14 | 119.6° | 120.0° |
| C15 | C16 | C17 | 120.1° | 120.0° |
| C15 | C16 | H16 | 119.9° | 120.0° |
| C15 | C14 | C13 | 120.2° | 120.0° |
| C15 | C14 | H14 | 119.9° | 120.0° |
| C16 | C17 | C12 | 120.0° | 120.0° |
| C17 | C16 | H16 | 119.9° | 120.0° |
| C16 | C17 | H17 | 120.0° | 120.0° |
| C14 | C13 | C12 | 120.0° | 120.0° |
| C14 | C13 | CL1 | 120.5° | 120.0° |
| C13 | C14 | H14 | 119.9° | 120.0° |
| C17 | C12 | C13 | 120.1° | 120.0° |
| C17 | C12 | H12 | 119.9° | 120.0° |
| C12 | C17 | H17 | 120.0° | 120.0° |
| C12 | C13 | CL1 | 119.6° | 120.0° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H293 | N29 | H291 | 109.5° | 109.5° |
| H293 | N29 | H292 | 109.5° | 109.5° |
| H291 | N29 | H292 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | C26 | O28 | C25 | 179.9° | 179.9° |
| O27 | C26 | C25 | N29 | 5.1° | 20.1° |
| O27 | C26 | C25 | C24 | 130.3° | 100.0° |
| O27 | C26 | C25 | H25 | 111.7° | 140.0° |
| O27 | C26 | O28 | H2 | 0.0° | 0.0° |
| O28 | C26 | C25 | N29 | 174.7° | 160.0° |
| O28 | C26 | C25 | C24 | 49.6° | 80.0° |
| O28 | C26 | C25 | H25 | 68.4° | 40.0° |
| C26 | C25 | N29 | C24 | 124.5° | 120.0° |
| C26 | C25 | N29 | H25 | 116.3° | 119.9° |
| C26 | C25 | C24 | H25 | 118.1° | 120.0° |
| C26 | C25 | C24 | C1 | 143.6° | 175.0° |
| C26 | C25 | C24 | H241 | 95.7° | 55.0° |
| C26 | C25 | C24 | H242 | 22.8° | 65.0° |
| C25 | C26 | O28 | H2 | 179.9° | 180.0° |
| C26 | C25 | N29 | H293 | 180.0° | 60.1° |
| C26 | C25 | N29 | H291 | 60.0° | 180.0° |
| C26 | C25 | N29 | H292 | 60.0° | 60.0° |
| N29 | C25 | C24 | H25 | 119.8° | 120.0° |
| N29 | C25 | C24 | C1 | 94.3° | 65.0° |
| N29 | C25 | C24 | H241 | 26.4° | 175.0° |
| N29 | C25 | C24 | H242 | 144.9° | 55.0° |
| C25 | N29 | H293 | H291 | 120.0° | 120.0° |
| C25 | N29 | H293 | H292 | 120.0° | 120.0° |
| C25 | N29 | H291 | H292 | 120.0° | 120.0° |
| C25 | C24 | C1 | H241 | 120.7° | 120.0° |
| C25 | C24 | C1 | H242 | 120.7° | 120.0° |
| C25 | C24 | C1 | C5 | 87.0° | 85.0° |
| C25 | C24 | C1 | C2 | 93.1° | 95.3° |
| C25 | C24 | H241 | H242 | 117.8° | 120.0° |
| C24 | C25 | N29 | H293 | 55.5° | 60.0° |
| C24 | C25 | N29 | H291 | 175.6° | 60.0° |
| C24 | C25 | N29 | H292 | 64.5° | 180.0° |
| C24 | C1 | C5 | O23 | 0.2° | 0.1° |
| C24 | C1 | C5 | C2 | 179.9° | 179.8° |
| C24 | C1 | C5 | N4 | 180.0° | 179.8° |
| C24 | C1 | C2 | C6 | 0.5° | 0.2° |
| C24 | C1 | C2 | O3 | 179.8° | 179.8° |
| C1 | C24 | H241 | H242 | 117.8° | 120.0° |
| C1 | C24 | C25 | H25 | 25.5° | 55.0° |
| O23 | C5 | C1 | N4 | 179.8° | 179.9° |
| O23 | C5 | C1 | C2 | 179.8° | 180.0° |
| O23 | C5 | N4 | O3 | 179.9° | 179.9° |
| O23 | C5 | N4 | H1 | 0.1° | 0.0° |
| C5 | C1 | C2 | C6 | 179.5° | 180.0° |
| C5 | C1 | C2 | O3 | 0.2° | 0.0° |
| C1 | C5 | N4 | O3 | 0.1° | 0.0° |
| C1 | C5 | N4 | H1 | 179.9° | 179.9° |
| C5 | C1 | C24 | H241 | 152.3° | 35.0° |
| C5 | C1 | C24 | H242 | 33.7° | 155.0° |
| C2 | C1 | C5 | N4 | 0.0° | 0.1° |
| C1 | C2 | C6 | N10 | 3.7° | 179.7° |
| C1 | C2 | C6 | O3 | 179.2° | 180.0° |
| C1 | C2 | O3 | N4 | 0.3° | 0.0° |
| C1 | C2 | C6 | N7 | 175.8° | 0.0° |
| C2 | C1 | C24 | H241 | 27.7° | 144.8° |
| C2 | C1 | C24 | H242 | 146.2° | 24.8° |
| C5 | N4 | O3 | C2 | 0.3° | 0.0° |
| C5 | N4 | O3 | H1 | 180.0° | 179.9° |
| N10 | C6 | C2 | N7 | 179.5° | 179.7° |
| N10 | C6 | C2 | O3 | 177.1° | 0.3° |
| C6 | N10 | N9 | C11 | 179.8° | 179.8° |
| C6 | N10 | N9 | N8 | 0.2° | 0.5° |
| N10 | C6 | N7 | N8 | 0.0° | 0.3° |
| N9 | N10 | C6 | C2 | 179.6° | 179.8° |
| N10 | N9 | C11 | N8 | 180.0° | 179.6° |
| N10 | N9 | C11 | C15 | 152.1° | 89.6° |
| N9 | N10 | C6 | N7 | 0.1° | 0.4° |
| N10 | N9 | N8 | N7 | 0.2° | 0.3° |
| N10 | N9 | C11 | H111 | 87.9° | 30.3° |
| N10 | N9 | C11 | H112 | 32.0° | 150.4° |
| C6 | C2 | O3 | N4 | 179.7° | 180.0° |
| C2 | C6 | N7 | N8 | 179.5° | 180.0° |
| O3 | C2 | C6 | N7 | 3.4° | 180.0° |
| C2 | O3 | N4 | H1 | 179.7° | 179.9° |
| N9 | C11 | C15 | H111 | 120.1° | 119.9° |
| N9 | C11 | C15 | H112 | 120.1° | 120.0° |
| N9 | C11 | C15 | C16 | 78.7° | 90.0° |
| N9 | C11 | C15 | C14 | 100.5° | 90.0° |
| C11 | N9 | N8 | N7 | 179.8° | 180.0° |
| N9 | C11 | H111 | H112 | 119.8° | 120.0° |
| C15 | C11 | N9 | N8 | 27.9° | 90.0° |
| C11 | C15 | C16 | C14 | 179.1° | 179.9° |
| C11 | C15 | C16 | C17 | 179.7° | 179.8° |
| C11 | C15 | C14 | C13 | 179.8° | 180.0° |
| C15 | C11 | H111 | H112 | 119.9° | 120.0° |
| C11 | C15 | C14 | H14 | 0.2° | 0.1° |
| C11 | C15 | C16 | H16 | 0.3° | 0.0° |
| C6 | N7 | N8 | N9 | 0.1° | 0.0° |
| N8 | N9 | C11 | H111 | 92.2° | 150.0° |
| N8 | N9 | C11 | H112 | 148.0° | 30.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.8° |
| C16 | C15 | C14 | C13 | 0.6° | 0.1° |
| C15 | C16 | C17 | C12 | 0.2° | 0.5° |
| C16 | C15 | C11 | H111 | 161.2° | 30.0° |
| C16 | C15 | C11 | H112 | 41.4° | 150.0° |
| C16 | C15 | C14 | H14 | 179.4° | 180.0° |
| C15 | C16 | C17 | H17 | 179.8° | 180.0° |
| C14 | C15 | C16 | C17 | 0.5° | 0.3° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.4° | 0.1° |
| C15 | C14 | C13 | CL1 | 179.7° | 180.0° |
| C14 | C15 | C11 | H111 | 19.6° | 150.1° |
| C14 | C15 | C11 | H112 | 139.5° | 30.1° |
| C14 | C15 | C16 | H16 | 179.5° | 179.9° |
| C16 | C17 | C12 | H17 | 180.0° | 179.6° |
| C16 | C17 | C12 | C13 | 0.0° | 0.4° |
| C16 | C17 | C12 | H12 | 180.0° | 179.8° |
| C14 | C13 | C12 | C17 | 0.1° | 0.2° |
| C14 | C13 | C12 | CL1 | 179.9° | 180.0° |
| C14 | C13 | C12 | H12 | 179.9° | 180.0° |
| C17 | C12 | C13 | H12 | 180.0° | 179.8° |
| C17 | C12 | C13 | CL1 | 180.0° | 179.8° |
| C12 | C17 | C16 | H16 | 179.8° | 179.7° |
| C12 | C13 | C14 | H14 | 179.6° | 179.9° |
| C13 | C12 | C17 | H17 | 180.0° | 180.0° |
| CL1 | C13 | C12 | H12 | 0.0° | 0.0° |
| CL1 | C13 | C14 | H14 | 0.3° | 0.1° |
| H12 | C12 | C17 | H17 | 0.0° | 0.2° |
| H16 | C16 | C17 | H17 | 0.3° | 0.2° |
| H241 | C24 | C25 | H25 | 146.2° | 65.0° |
| H242 | C24 | C25 | H25 | 95.3° | 175.0° |
| H25 | C25 | N29 | H293 | 63.7° | 180.0° |
| H25 | C25 | N29 | H291 | 56.3° | 60.0° |
| H25 | C25 | N29 | H292 | 176.3° | 60.0° |
| H293 | N29 | H291 | H292 | 120.0° | 120.0° |
