NH8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | sing | 1.35Å | 1.36Å | Aromatic |
| C2 | N3 | doub | 1.31Å | 1.30Å | Aromatic |
| C7 | C10 | sing | 1.51Å | 1.51Å | |
| C7 | C21 | sing | 1.51Å | 1.50Å | |
| C7 | C5 | sing | 1.51Å | 1.52Å | |
| C7 | O8 | sing | 1.43Å | 1.42Å | |
| C10 | C11 | doub | 1.34Å | 1.37Å | Aromatic |
| C10 | O9 | sing | 1.34Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.43Å | Aromatic |
| C14 | N41 | sing | 1.48Å | 1.47Å | |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C31 | sing | 1.48Å | 1.48Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.43Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C27 | sing | 1.43Å | 1.43Å | |
| C24 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.40Å | 1.41Å | Aromatic |
| C27 | N28 | trip | 1.14Å | 1.15Å | |
| C31 | C32 | doub | 1.40Å | 1.41Å | Aromatic |
| C31 | C36 | sing | 1.39Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.40Å | 1.41Å | Aromatic |
| C35 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C35 | C37 | sing | 1.43Å | 1.44Å | |
| N1 | C5 | sing | 1.37Å | 1.38Å | Aromatic |
| N1 | C6 | sing | 1.46Å | 1.48Å | |
| N3 | C4 | sing | 1.34Å | 1.32Å | Aromatic |
| C4 | C5 | doub | 1.35Å | 1.36Å | Aromatic |
| O9 | C17 | sing | 1.35Å | 1.36Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | N38 | trip | 1.14Å | 1.15Å | |
| N41 | O42 | sing | 1.22Å | 1.25Å | |
| N41 | O43 | doub | 1.22Å | 1.25Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | N3 | 112.4° | 108.7° |
| C2 | N1 | C5 | 106.8° | 107.2° |
| C2 | N1 | C6 | 124.9° | 126.4° |
| N1 | C2 | H2 | 123.8° | 125.6° |
| C2 | N3 | C4 | 103.6° | 109.2° |
| N3 | C2 | H2 | 123.8° | 125.6° |
| C10 | C7 | C21 | 104.2° | 109.5° |
| C10 | C7 | C5 | 108.8° | 109.4° |
| C10 | C7 | O8 | 110.5° | 109.5° |
| C7 | C10 | C11 | 132.9° | 124.9° |
| C7 | C10 | O9 | 117.8° | 125.0° |
| C21 | C7 | C5 | 113.7° | 109.5° |
| C21 | C7 | O8 | 111.3° | 109.5° |
| C7 | C21 | C22 | 120.7° | 119.9° |
| C7 | C21 | C26 | 117.9° | 119.9° |
| C5 | C7 | O8 | 108.2° | 109.5° |
| C7 | C5 | N1 | 125.6° | 126.6° |
| C7 | C5 | C4 | 132.1° | 126.6° |
| C7 | O8 | HO8 | 109.5° | 114.0° |
| C11 | C10 | O9 | 109.3° | 110.1° |
| C10 | C11 | C12 | 107.3° | 106.1° |
| C10 | C11 | H11 | 126.4° | 126.9° |
| C10 | O9 | C17 | 108.3° | 110.9° |
| C11 | C12 | C13 | 135.4° | 134.3° |
| C11 | C12 | C17 | 105.7° | 105.5° |
| C12 | C11 | H11 | 126.4° | 126.9° |
| C13 | C12 | C17 | 118.9° | 120.2° |
| C12 | C13 | C14 | 117.0° | 119.9° |
| C12 | C13 | H13 | 121.5° | 120.1° |
| C12 | C17 | C16 | 124.9° | 119.3° |
| C12 | C17 | O9 | 108.8° | 107.3° |
| C13 | C14 | C15 | 123.4° | 120.4° |
| C13 | C14 | N41 | 118.1° | 119.8° |
| C14 | C13 | H13 | 121.5° | 120.0° |
| C15 | C14 | N41 | 118.5° | 119.7° |
| C14 | C15 | C16 | 120.7° | 120.5° |
| C14 | C15 | H15 | 119.7° | 119.8° |
| C14 | N41 | O42 | 117.9° | 120.0° |
| C14 | N41 | O43 | 119.6° | 120.1° |
| C15 | C16 | C31 | 124.1° | 120.1° |
| C15 | C16 | C17 | 114.8° | 119.7° |
| C16 | C15 | H15 | 119.7° | 119.7° |
| C31 | C16 | C17 | 121.1° | 120.2° |
| C16 | C31 | C32 | 121.0° | 120.0° |
| C16 | C31 | C36 | 120.8° | 120.1° |
| C16 | C17 | O9 | 126.3° | 133.4° |
| C22 | C21 | C26 | 121.4° | 120.3° |
| C21 | C22 | C23 | 119.1° | 120.1° |
| C21 | C22 | H22 | 120.4° | 120.0° |
| C21 | C26 | C25 | 119.3° | 120.2° |
| C21 | C26 | H26 | 120.3° | 119.9° |
| C22 | C23 | C24 | 120.2° | 119.9° |
| C23 | C22 | H22 | 120.4° | 119.9° |
| C22 | C23 | H23 | 119.9° | 120.1° |
| C27 | C24 | C23 | 118.4° | 120.1° |
| C27 | C24 | C25 | 121.4° | 120.2° |
| C24 | C27 | N28 | 177.1° | 180.0° |
| C23 | C24 | C25 | 120.2° | 119.7° |
| C24 | C23 | H23 | 119.9° | 120.0° |
| C24 | C25 | C26 | 119.8° | 119.9° |
| C24 | C25 | H25 | 120.1° | 120.1° |
| C32 | C31 | C36 | 118.2° | 119.9° |
| C31 | C32 | C33 | 121.7° | 120.2° |
| C31 | C32 | H32 | 119.2° | 119.9° |
| C31 | C36 | C35 | 120.9° | 119.8° |
| C31 | C36 | H36 | 119.6° | 120.1° |
| C32 | C33 | C34 | 119.3° | 120.3° |
| C33 | C32 | H32 | 119.1° | 119.9° |
| C32 | C33 | H33 | 120.3° | 119.9° |
| C33 | C34 | C35 | 120.8° | 120.1° |
| C34 | C33 | H33 | 120.3° | 119.8° |
| C33 | C34 | H34 | 119.6° | 120.0° |
| C34 | C35 | C36 | 119.2° | 119.8° |
| C34 | C35 | C37 | 119.8° | 120.1° |
| C35 | C34 | H34 | 119.6° | 119.9° |
| C36 | C35 | C37 | 121.1° | 120.1° |
| C35 | C36 | H36 | 119.6° | 120.1° |
| C35 | C37 | N38 | 178.2° | 179.9° |
| C5 | N1 | C6 | 128.3° | 126.4° |
| N1 | C5 | C4 | 102.3° | 106.8° |
| N1 | C6 | H6 | 109.5° | 109.5° |
| N1 | C6 | H6A | 109.4° | 109.5° |
| N1 | C6 | H6B | 109.5° | 109.5° |
| N3 | C4 | C5 | 114.9° | 108.0° |
| N3 | C4 | H4 | 122.6° | 126.0° |
| C5 | C4 | H4 | 122.6° | 126.0° |
| C26 | C25 | H25 | 120.1° | 120.0° |
| C25 | C26 | H26 | 120.4° | 120.0° |
| O42 | N41 | O43 | 122.5° | 120.0° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H6 | C6 | H6B | 109.4° | 109.4° |
| H6A | C6 | H6B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H2 | 180.0° | 179.7° |
| C2 | N1 | C5 | C7 | 179.7° | 180.0° |
| C2 | N1 | C5 | C6 | 178.2° | 179.9° |
| N1 | C2 | N3 | C4 | 0.0° | 0.0° |
| C2 | N1 | C5 | C4 | 0.1° | 0.1° |
| C2 | N1 | C6 | H6 | 172.3° | 90.1° |
| C2 | N1 | C6 | H6A | 52.3° | 149.9° |
| C2 | N1 | C6 | H6B | 67.7° | 29.9° |
| N3 | C2 | N1 | C5 | 0.0° | 0.0° |
| N3 | C2 | N1 | C6 | 178.3° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| C2 | N3 | C4 | H4 | 180.0° | 180.0° |
| C10 | C7 | C21 | C5 | 118.3° | 120.0° |
| C10 | C7 | C21 | O8 | 119.2° | 120.0° |
| C10 | C7 | C5 | O8 | 120.1° | 120.0° |
| C7 | C10 | C11 | O9 | 179.5° | 179.7° |
| C7 | C10 | C11 | C12 | 171.1° | 180.0° |
| C10 | C7 | C21 | C22 | 86.2° | 49.7° |
| C10 | C7 | C21 | C26 | 91.0° | 130.0° |
| C10 | C7 | C5 | N1 | 173.8° | 65.4° |
| C10 | C7 | C5 | C4 | 5.9° | 114.7° |
| C7 | C10 | O9 | C17 | 174.2° | 179.8° |
| C7 | C10 | C11 | H11 | 8.9° | 0.0° |
| C10 | C7 | O8 | HO8 | 87.1° | 60.0° |
| C21 | C7 | C5 | O8 | 124.2° | 120.0° |
| C21 | C7 | C10 | C11 | 172.6° | 90.0° |
| C21 | C7 | C10 | O9 | 8.0° | 89.7° |
| C7 | C21 | C22 | C26 | 177.1° | 179.7° |
| C7 | C21 | C22 | C23 | 177.4° | 180.0° |
| C21 | C7 | C5 | N1 | 70.5° | 174.7° |
| C21 | C7 | C5 | C4 | 109.8° | 5.3° |
| C7 | C21 | C26 | C25 | 177.5° | 180.0° |
| C7 | C21 | C22 | H22 | 2.6° | 0.0° |
| C21 | C7 | O8 | HO8 | 157.6° | 60.0° |
| C7 | C21 | C26 | H26 | 2.5° | 0.0° |
| C5 | C7 | C10 | C11 | 65.8° | 150.0° |
| C5 | C7 | C10 | O9 | 113.7° | 30.3° |
| C5 | C7 | C21 | C22 | 32.1° | 70.3° |
| C5 | C7 | C21 | C26 | 150.7° | 110.0° |
| C7 | C5 | N1 | C4 | 179.8° | 179.9° |
| C7 | C5 | N1 | C6 | 2.0° | 0.1° |
| C7 | C5 | C4 | N3 | 179.7° | 180.0° |
| C7 | C5 | C4 | H4 | 0.3° | 0.1° |
| C5 | C7 | O8 | HO8 | 31.9° | 180.0° |
| O8 | C7 | C10 | C11 | 52.9° | 30.0° |
| O8 | C7 | C10 | O9 | 127.7° | 150.3° |
| O8 | C7 | C21 | C22 | 154.6° | 169.7° |
| O8 | C7 | C21 | C26 | 28.2° | 10.0° |
| O8 | C7 | C5 | N1 | 53.7° | 54.6° |
| O8 | C7 | C5 | C4 | 126.0° | 125.3° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 171.8° | 180.0° |
| C10 | C11 | C12 | C17 | 8.0° | 0.0° |
| C11 | C10 | O9 | C17 | 5.4° | 0.5° |
| O9 | C10 | C11 | C12 | 8.4° | 0.3° |
| C10 | O9 | C17 | C12 | 0.2° | 0.4° |
| C10 | O9 | C17 | C16 | 179.8° | 179.9° |
| O9 | C10 | C11 | H11 | 171.6° | 179.8° |
| C11 | C12 | C13 | C17 | 179.8° | 180.0° |
| C11 | C12 | C13 | C14 | 179.6° | 180.0° |
| C11 | C12 | C17 | C16 | 175.2° | 180.0° |
| C11 | C12 | C17 | O9 | 4.8° | 0.3° |
| C11 | C12 | C13 | H13 | 0.4° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 2.7° | 0.0° |
| C12 | C13 | C14 | N41 | 177.0° | 180.0° |
| C13 | C12 | C17 | C16 | 5.0° | 0.0° |
| C13 | C12 | C17 | O9 | 175.1° | 179.7° |
| C13 | C12 | C11 | H11 | 8.2° | 0.0° |
| C17 | C12 | C13 | C14 | 0.2° | 0.0° |
| C12 | C17 | C16 | C15 | 7.2° | 0.0° |
| C12 | C17 | C16 | C31 | 172.6° | 179.9° |
| C12 | C17 | C16 | O9 | 180.0° | 179.6° |
| C17 | C12 | C11 | H11 | 172.0° | 180.0° |
| C17 | C12 | C13 | H13 | 179.8° | 180.0° |
| C13 | C14 | C15 | N41 | 179.7° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | N41 | O42 | 29.8° | 0.0° |
| C13 | C14 | N41 | O43 | 150.4° | 180.0° |
| C13 | C14 | C15 | H15 | 179.8° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C31 | 175.3° | 179.9° |
| C14 | C15 | C16 | C17 | 4.5° | 0.0° |
| C15 | C14 | N41 | O42 | 150.5° | 180.0° |
| C15 | C14 | N41 | O43 | 29.3° | 0.0° |
| C15 | C14 | C13 | H13 | 177.3° | 180.0° |
| N41 | C14 | C15 | C16 | 179.5° | 180.0° |
| C14 | N41 | O42 | O43 | 179.8° | 179.9° |
| N41 | C14 | C13 | H13 | 3.0° | 0.0° |
| N41 | C14 | C15 | H15 | 0.5° | 0.0° |
| C15 | C16 | C31 | C17 | 179.8° | 180.0° |
| C15 | C16 | C31 | C32 | 52.9° | 130.0° |
| C15 | C16 | C31 | C36 | 127.9° | 50.3° |
| C15 | C16 | C17 | O9 | 172.8° | 179.6° |
| C16 | C31 | C32 | C36 | 179.3° | 179.8° |
| C16 | C31 | C32 | C33 | 179.3° | 180.0° |
| C16 | C31 | C36 | C35 | 179.2° | 179.7° |
| C31 | C16 | C17 | O9 | 7.4° | 0.4° |
| C31 | C16 | C15 | H15 | 4.7° | 0.0° |
| C16 | C31 | C32 | H32 | 0.7° | 0.0° |
| C16 | C31 | C36 | H36 | 0.7° | 0.0° |
| C17 | C16 | C31 | C32 | 126.9° | 50.1° |
| C17 | C16 | C31 | C36 | 52.3° | 129.7° |
| C17 | C16 | C15 | H15 | 175.5° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.5° | 0.1° |
| C22 | C21 | C26 | C25 | 0.4° | 0.3° |
| C21 | C22 | C23 | H23 | 179.5° | 179.9° |
| C22 | C21 | C26 | H26 | 179.6° | 179.7° |
| C26 | C21 | C22 | C23 | 0.3° | 0.3° |
| C21 | C26 | C25 | C24 | 0.5° | 0.0° |
| C21 | C26 | C25 | H26 | 180.0° | 180.0° |
| C26 | C21 | C22 | H22 | 179.7° | 179.7° |
| C21 | C26 | C25 | H25 | 179.5° | 180.0° |
| C22 | C23 | C24 | C27 | 178.6° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.6° | 0.2° |
| C27 | C24 | C23 | C25 | 179.2° | 179.8° |
| C27 | C24 | C25 | C26 | 178.6° | 179.9° |
| C27 | C24 | C23 | H23 | 1.4° | 0.0° |
| C27 | C24 | C25 | H25 | 1.4° | 0.1° |
| C23 | C24 | C27 | N28 | 71.5° | 176.3° |
| C23 | C24 | C25 | C26 | 0.6° | 0.2° |
| C24 | C23 | C22 | H22 | 179.5° | 180.0° |
| C23 | C24 | C25 | H25 | 179.4° | 179.7° |
| C25 | C24 | C27 | N28 | 107.7° | 3.5° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C25 | C24 | C23 | H23 | 179.4° | 179.8° |
| C24 | C25 | C26 | H26 | 179.5° | 180.0° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.1° | 0.0° |
| C32 | C31 | C36 | C35 | 0.0° | 0.5° |
| C31 | C32 | C33 | H33 | 179.9° | 180.0° |
| C32 | C31 | C36 | H36 | 180.0° | 179.7° |
| C36 | C31 | C32 | C33 | 0.0° | 0.2° |
| C31 | C36 | C35 | C34 | 0.0° | 0.5° |
| C31 | C36 | C35 | H36 | 180.0° | 179.8° |
| C31 | C36 | C35 | C37 | 179.5° | 179.7° |
| C36 | C31 | C32 | H32 | 180.0° | 179.7° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C32 | C33 | C34 | H34 | 179.9° | 180.0° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.0° | 0.2° |
| C33 | C34 | C35 | C37 | 179.6° | 180.0° |
| C34 | C33 | C32 | H32 | 179.9° | 180.0° |
| C34 | C35 | C36 | C37 | 179.6° | 179.8° |
| C34 | C35 | C37 | N38 | 58.6° | 168.0° |
| C35 | C34 | C33 | H33 | 179.9° | 180.0° |
| C34 | C35 | C36 | H36 | 180.0° | 179.7° |
| C36 | C35 | C37 | N38 | 121.0° | 12.3° |
| C36 | C35 | C34 | H34 | 180.0° | 179.8° |
| C37 | C35 | C34 | H34 | 0.4° | 0.0° |
| C37 | C35 | C36 | H36 | 0.5° | 0.1° |
| N1 | C5 | C4 | N3 | 0.1° | 0.1° |
| C5 | N1 | C2 | H2 | 180.0° | 179.7° |
| N1 | C5 | C4 | H4 | 180.0° | 180.0° |
| C5 | N1 | C6 | H6 | 9.7° | 90.0° |
| C5 | N1 | C6 | H6A | 129.8° | 30.0° |
| C5 | N1 | C6 | H6B | 110.2° | 150.0° |
| C6 | N1 | C5 | C4 | 178.2° | 180.0° |
| C6 | N1 | C2 | H2 | 1.7° | 0.4° |
| N1 | C6 | H6 | H6A | 120.0° | 120.1° |
| N1 | C6 | H6 | H6B | 120.0° | 120.0° |
| N1 | C6 | H6A | H6B | 120.0° | 120.0° |
| N3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C4 | N3 | C2 | H2 | 180.0° | 179.7° |
| H22 | C22 | C23 | H23 | 0.5° | 0.0° |
| H32 | C32 | C33 | H33 | 0.1° | 0.0° |
| H33 | C33 | C34 | H34 | 0.1° | 0.0° |
| H6 | C6 | H6A | H6B | 120.0° | 120.0° |
| H25 | C25 | C26 | H26 | 0.5° | 0.1° |
