MN8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.21Å | |
| C | OXT | sing | 1.35Å | 1.32Å | |
| C | CA | sing | 1.47Å | 1.40Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CA | C3 | doub | 1.37Å | 1.36Å | Aromatic |
| CA | N9 | sing | 1.33Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | S7 | sing | 1.74Å | 1.73Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.08Å | |
| C5 | H51 | sing | 1.09Å | 1.08Å | |
| C5 | H52 | sing | 1.09Å | 1.08Å | |
| C5 | H53 | sing | 1.09Å | 1.08Å | |
| C6 | H61 | sing | 1.09Å | 1.08Å | |
| C6 | H62 | sing | 1.09Å | 1.08Å | |
| C6 | H63 | sing | 1.09Å | 1.08Å | |
| S7 | C8 | sing | 1.73Å | 1.74Å | Aromatic |
| C8 | N9 | doub | 1.31Å | 1.32Å | Aromatic |
| C8 | CA2 | sing | 1.51Å | 1.50Å | |
| CA2 | N | sing | 1.47Å | 1.49Å | |
| CA2 | C15 | sing | 1.53Å | 1.52Å | |
| CA2 | HA2 | sing | 1.09Å | 1.08Å | |
| N | C12 | sing | 1.46Å | 1.50Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | H121 | sing | 1.09Å | 1.08Å | |
| C12 | H122 | sing | 1.09Å | 1.08Å | |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C14 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | H151 | sing | 1.09Å | 1.08Å | |
| C15 | H152 | sing | 1.09Å | 1.08Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 123.2° | 120.0° |
| O | C | CA | 120.1° | 120.0° |
| OXT | C | CA | 116.7° | 120.0° |
| C | OXT | HXT | 123.2° | 120.0° |
| C | CA | C3 | 126.3° | 121.2° |
| C | CA | N9 | 116.2° | 121.3° |
| C3 | CA | N9 | 117.5° | 117.5° |
| CA | C3 | C4 | 129.5° | 129.3° |
| CA | C3 | S7 | 109.2° | 101.5° |
| CA | N9 | C8 | 109.1° | 120.0° |
| C4 | C3 | S7 | 121.3° | 129.2° |
| C3 | C4 | C5 | 109.5° | 109.5° |
| C3 | C4 | C6 | 109.4° | 109.5° |
| C3 | C4 | H4 | 109.4° | 109.5° |
| C3 | S7 | C8 | 88.8° | 98.3° |
| C5 | C4 | C6 | 109.5° | 109.5° |
| C5 | C4 | H4 | 109.5° | 109.4° |
| C4 | C5 | H51 | 109.5° | 109.5° |
| C4 | C5 | H52 | 109.5° | 109.4° |
| C4 | C5 | H53 | 109.5° | 109.4° |
| C6 | C4 | H4 | 109.5° | 109.5° |
| C4 | C6 | H61 | 109.4° | 109.4° |
| C4 | C6 | H62 | 109.5° | 109.5° |
| C4 | C6 | H63 | 109.5° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.4° |
| H51 | C5 | H53 | 109.4° | 109.5° |
| H52 | C5 | H53 | 109.4° | 109.5° |
| H61 | C6 | H62 | 109.4° | 109.5° |
| H61 | C6 | H63 | 109.5° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.5° |
| S7 | C8 | N9 | 115.4° | 102.8° |
| S7 | C8 | CA2 | 118.9° | 128.6° |
| N9 | C8 | CA2 | 125.7° | 128.6° |
| C8 | CA2 | N | 109.4° | 109.6° |
| C8 | CA2 | C15 | 110.0° | 109.6° |
| C8 | CA2 | HA2 | 109.4° | 109.6° |
| N | CA2 | C15 | 109.2° | 108.9° |
| N | CA2 | HA2 | 109.4° | 109.6° |
| CA2 | N | C12 | 120.9° | 106.7° |
| CA2 | N | H | 108.1° | 106.9° |
| C15 | CA2 | HA2 | 109.3° | 109.6° |
| CA2 | C15 | C14 | 108.9° | 109.4° |
| CA2 | C15 | H151 | 109.6° | 109.4° |
| CA2 | C15 | H152 | 109.6° | 109.5° |
| C12 | N | H | 108.1° | 106.7° |
| N | C12 | C13 | 112.1° | 110.8° |
| N | C12 | H121 | 109.0° | 109.2° |
| N | C12 | H122 | 108.9° | 109.1° |
| C13 | C12 | H121 | 108.9° | 109.3° |
| C13 | C12 | H122 | 109.0° | 109.2° |
| C12 | C13 | C14 | 121.4° | 121.5° |
| C12 | C13 | C19 | 119.0° | 118.8° |
| H121 | C12 | H122 | 108.9° | 109.2° |
| C14 | C13 | C19 | 119.6° | 119.7° |
| C13 | C14 | C15 | 120.4° | 121.0° |
| C13 | C14 | C16 | 120.0° | 120.0° |
| C13 | C19 | C18 | 120.3° | 120.3° |
| C13 | C19 | H19 | 119.8° | 119.8° |
| C15 | C14 | C16 | 119.6° | 119.0° |
| C14 | C15 | H151 | 109.5° | 109.5° |
| C14 | C15 | H152 | 109.6° | 109.5° |
| C14 | C16 | C17 | 120.2° | 120.2° |
| C14 | C16 | H16 | 120.0° | 119.9° |
| H151 | C15 | H152 | 109.6° | 109.5° |
| C17 | C16 | H16 | 119.9° | 119.9° |
| C16 | C17 | C18 | 120.0° | 119.8° |
| C16 | C17 | H17 | 120.0° | 120.0° |
| C18 | C17 | H17 | 120.0° | 120.1° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C19 | C18 | H18 | 120.0° | 120.0° |
| C18 | C19 | H19 | 119.9° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 179.7° | 180.0° |
| O | C | OXT | HXT | 180.0° | 0.0° |
| O | C | CA | C3 | 81.1° | 0.6° |
| O | C | CA | N9 | 98.6° | 180.0° |
| OXT | C | CA | C3 | 98.6° | 179.5° |
| OXT | C | CA | N9 | 81.7° | 0.0° |
| CA | C | OXT | HXT | 0.4° | 180.0° |
| C | CA | C3 | N9 | 179.8° | 179.5° |
| C | CA | C3 | C4 | 0.1° | 0.3° |
| C | CA | C3 | S7 | 179.8° | 179.9° |
| C | CA | N9 | C8 | 179.8° | 180.0° |
| CA | C3 | C4 | S7 | 179.9° | 179.8° |
| CA | C3 | C4 | C5 | 108.3° | 119.8° |
| CA | C3 | C4 | C6 | 131.7° | 120.2° |
| CA | C3 | C4 | H4 | 11.7° | 0.2° |
| CA | C3 | S7 | C8 | 0.0° | 0.3° |
| C3 | CA | N9 | C8 | 0.0° | 0.5° |
| N9 | CA | C3 | C4 | 179.9° | 179.7° |
| N9 | CA | C3 | S7 | 0.0° | 0.5° |
| CA | N9 | C8 | S7 | 0.0° | 0.2° |
| CA | N9 | C8 | CA2 | 179.8° | 179.7° |
| C3 | C4 | C5 | C6 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C6 | H4 | 119.9° | 120.0° |
| C3 | C4 | C5 | H51 | 164.0° | 179.9° |
| C3 | C4 | C5 | H52 | 44.0° | 60.0° |
| C3 | C4 | C5 | H53 | 76.0° | 60.0° |
| C3 | C4 | C6 | H61 | 153.2° | 60.0° |
| C3 | C4 | C6 | H62 | 33.3° | 60.0° |
| C3 | C4 | C6 | H63 | 86.7° | 180.0° |
| C4 | C3 | S7 | C8 | 179.9° | 179.9° |
| S7 | C3 | C4 | C5 | 71.8° | 60.0° |
| S7 | C3 | C4 | C6 | 48.3° | 60.0° |
| S7 | C3 | C4 | H4 | 168.2° | 180.0° |
| C3 | S7 | C8 | N9 | 0.0° | 0.0° |
| C3 | S7 | C8 | CA2 | 179.8° | 180.0° |
| C5 | C4 | C6 | H4 | 120.0° | 120.0° |
| C4 | C5 | H51 | H52 | 120.1° | 119.9° |
| C4 | C5 | H51 | H53 | 120.0° | 120.0° |
| C4 | C5 | H52 | H53 | 120.0° | 120.0° |
| C5 | C4 | C6 | H61 | 86.7° | 60.0° |
| C5 | C4 | C6 | H62 | 153.4° | 180.0° |
| C5 | C4 | C6 | H63 | 33.3° | 60.0° |
| C6 | C4 | C5 | H51 | 44.0° | 60.0° |
| C6 | C4 | C5 | H52 | 76.0° | 180.0° |
| C6 | C4 | C5 | H53 | 164.0° | 60.0° |
| C4 | C6 | H61 | H62 | 120.0° | 120.0° |
| C4 | C6 | H61 | H63 | 120.0° | 120.0° |
| C4 | C6 | H62 | H63 | 120.0° | 120.0° |
| H4 | C4 | C5 | H51 | 76.0° | 60.0° |
| H4 | C4 | C5 | H52 | 163.9° | 60.0° |
| H4 | C4 | C5 | H53 | 44.0° | 180.0° |
| H4 | C4 | C6 | H61 | 33.3° | 180.0° |
| H4 | C4 | C6 | H62 | 86.6° | 60.0° |
| H4 | C4 | C6 | H63 | 153.3° | 59.9° |
| H51 | C5 | H52 | H53 | 119.9° | 120.1° |
| H61 | C6 | H62 | H63 | 120.1° | 120.1° |
| S7 | C8 | N9 | CA2 | 179.7° | 179.9° |
| S7 | C8 | CA2 | N | 32.0° | 120.2° |
| S7 | C8 | CA2 | C15 | 152.0° | 120.4° |
| S7 | C8 | CA2 | HA2 | 87.9° | 0.1° |
| N9 | C8 | CA2 | N | 148.3° | 59.7° |
| N9 | C8 | CA2 | C15 | 28.3° | 59.8° |
| N9 | C8 | CA2 | HA2 | 91.8° | 180.0° |
| C8 | CA2 | N | C15 | 120.5° | 119.8° |
| C8 | CA2 | N | HA2 | 119.9° | 120.3° |
| C8 | CA2 | C15 | HA2 | 120.2° | 120.3° |
| C8 | CA2 | N | C12 | 75.0° | 165.8° |
| C8 | CA2 | N | H | 50.2° | 52.0° |
| C8 | CA2 | C15 | C14 | 61.9° | 171.6° |
| C8 | CA2 | C15 | H151 | 178.3° | 51.7° |
| C8 | CA2 | C15 | H152 | 58.0° | 68.3° |
| N | CA2 | C15 | HA2 | 119.7° | 119.9° |
| CA2 | N | C12 | H | 125.3° | 113.9° |
| CA2 | N | C12 | C13 | 7.4° | 56.2° |
| CA2 | N | C12 | H121 | 128.1° | 176.6° |
| CA2 | N | C12 | H122 | 113.2° | 64.1° |
| N | CA2 | C15 | C14 | 58.2° | 51.8° |
| N | CA2 | C15 | H151 | 61.6° | 68.2° |
| N | CA2 | C15 | H152 | 178.1° | 171.8° |
| C15 | CA2 | N | C12 | 45.4° | 74.4° |
| C15 | CA2 | N | H | 170.7° | 171.8° |
| CA2 | C15 | C14 | C13 | 37.9° | 15.5° |
| CA2 | C15 | C14 | H151 | 119.8° | 119.9° |
| CA2 | C15 | C14 | H152 | 119.8° | 120.0° |
| CA2 | C15 | C14 | C16 | 141.9° | 164.5° |
| CA2 | C15 | H151 | H152 | 120.3° | 120.0° |
| HA2 | CA2 | N | C12 | 165.1° | 45.5° |
| HA2 | CA2 | N | H | 69.7° | 68.3° |
| HA2 | CA2 | C15 | C14 | 177.9° | 68.1° |
| HA2 | CA2 | C15 | H151 | 58.1° | 172.0° |
| HA2 | CA2 | C15 | H152 | 62.2° | 52.0° |
| N | C12 | C13 | H121 | 120.8° | 120.4° |
| N | C12 | C13 | H122 | 120.6° | 120.2° |
| N | C12 | H121 | H122 | 118.7° | 119.2° |
| N | C12 | C13 | C14 | 17.2° | 20.7° |
| N | C12 | C13 | C19 | 163.4° | 159.4° |
| H | N | C12 | C13 | 132.7° | 170.1° |
| H | N | C12 | H121 | 106.6° | 69.4° |
| H | N | C12 | H122 | 12.1° | 49.8° |
| C13 | C12 | H121 | H122 | 118.7° | 119.4° |
| C12 | C13 | C14 | C19 | 179.4° | 179.9° |
| C12 | C13 | C14 | C15 | 0.9° | 0.2° |
| C12 | C13 | C14 | C16 | 179.4° | 179.8° |
| C12 | C13 | C19 | C18 | 179.4° | 179.8° |
| C12 | C13 | C19 | H19 | 0.6° | 0.2° |
| H121 | C12 | C13 | C14 | 103.5° | 141.0° |
| H121 | C12 | C13 | C19 | 75.8° | 39.1° |
| H122 | C12 | C13 | C14 | 137.8° | 99.6° |
| H122 | C12 | C13 | C19 | 42.8° | 80.3° |
| C13 | C14 | C15 | C16 | 179.8° | 180.0° |
| C13 | C14 | C15 | H151 | 81.9° | 104.5° |
| C13 | C14 | C15 | H152 | 157.7° | 135.5° |
| C13 | C14 | C16 | C17 | 0.0° | 0.1° |
| C13 | C14 | C16 | H16 | 179.9° | 180.0° |
| C14 | C13 | C19 | C18 | 0.0° | 0.1° |
| C14 | C13 | C19 | H19 | 180.0° | 179.9° |
| C19 | C13 | C14 | C15 | 179.8° | 179.9° |
| C19 | C13 | C14 | C16 | 0.0° | 0.1° |
| C13 | C19 | C18 | C17 | 0.1° | 0.1° |
| C13 | C19 | C18 | H19 | 180.0° | 180.0° |
| C13 | C19 | C18 | H18 | 180.0° | 179.9° |
| C14 | C15 | H151 | H152 | 120.3° | 120.1° |
| C15 | C14 | C16 | C17 | 179.8° | 179.9° |
| C15 | C14 | C16 | H16 | 0.4° | 0.0° |
| C16 | C14 | C15 | H151 | 98.3° | 75.5° |
| C16 | C14 | C15 | H152 | 22.0° | 44.5° |
| C14 | C16 | C17 | H16 | 179.9° | 179.9° |
| C14 | C16 | C17 | C18 | 0.0° | 0.1° |
| C14 | C16 | C17 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C16 | C17 | C18 | H18 | 180.0° | 179.9° |
| H16 | C16 | C17 | C18 | 179.9° | 180.0° |
| H16 | C16 | C17 | H17 | 0.1° | 0.1° |
| C17 | C18 | C19 | H18 | 179.9° | 179.8° |
| C17 | C18 | C19 | H19 | 179.9° | 179.9° |
| H17 | C17 | C18 | C19 | 179.9° | 180.0° |
| H17 | C17 | C18 | H18 | 0.0° | 0.2° |
| H18 | C18 | C19 | H19 | 0.0° | 0.1° |
