A1MHN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | C12 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.51Å | 1.43Å | |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C2 | sing | 1.51Å | 1.39Å | |
| C5 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | N1 | sing | 1.40Å | 1.33Å | |
| N1 | H15 | sing | 0.97Å | 1.00Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H7L | sing | 1.09Å | 1.10Å | |
| C10 | H7M | sing | 1.09Å | 1.10Å | |
| C11 | H7N | sing | 1.09Å | 1.10Å | |
| C11 | H7O | sing | 1.09Å | 1.10Å | |
| C11 | H7P | sing | 1.09Å | 1.10Å | |
| C12 | H7Q | sing | 1.09Å | 1.10Å | |
| C12 | H7R | sing | 1.09Å | 1.10Å | |
| C12 | H7S | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C11 | 108.4° | 109.5° |
| C10 | C9 | C12 | 107.0° | 109.4° |
| C10 | C9 | C8 | 109.2° | 109.5° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| C9 | C10 | H7L | 109.5° | 109.5° |
| C9 | C10 | H7M | 109.5° | 109.4° |
| C11 | C9 | C12 | 109.1° | 109.5° |
| C11 | C9 | C8 | 112.4° | 109.5° |
| C9 | C11 | H7N | 109.5° | 109.5° |
| C9 | C11 | H7O | 109.5° | 109.5° |
| C9 | C11 | H7P | 109.5° | 109.5° |
| C12 | C9 | C8 | 110.6° | 109.5° |
| C9 | C12 | H7Q | 109.5° | 109.4° |
| C9 | C12 | H7R | 109.5° | 109.5° |
| C9 | C12 | H7S | 109.5° | 109.5° |
| C9 | C8 | C7 | 118.4° | 120.0° |
| C9 | C8 | C13 | 125.0° | 120.0° |
| C7 | C8 | C13 | 116.6° | 120.0° |
| C8 | C7 | C6 | 121.9° | 120.1° |
| C8 | C7 | H7 | 119.0° | 120.0° |
| C8 | C13 | C14 | 121.5° | 119.8° |
| C8 | C13 | N1 | 120.3° | 120.1° |
| C7 | C6 | C5 | 120.1° | 120.2° |
| C7 | C6 | H6 | 120.0° | 119.9° |
| C6 | C7 | H7 | 119.0° | 120.0° |
| C6 | C5 | C2 | 123.2° | 120.0° |
| C6 | C5 | C14 | 119.0° | 120.0° |
| C5 | C6 | H6 | 120.0° | 119.9° |
| C2 | C5 | C14 | 117.8° | 120.0° |
| C5 | C2 | C3 | 109.2° | 109.5° |
| C5 | C2 | C4 | 108.1° | 109.5° |
| C5 | C2 | C1 | 112.2° | 109.5° |
| C5 | C14 | C13 | 120.9° | 120.0° |
| C5 | C14 | H14 | 119.5° | 120.0° |
| C3 | C2 | C4 | 109.5° | 109.4° |
| C3 | C2 | C1 | 110.2° | 109.5° |
| C2 | C3 | H31 | 109.5° | 109.5° |
| C2 | C3 | H32 | 109.4° | 109.4° |
| C2 | C3 | H33 | 109.5° | 109.4° |
| C4 | C2 | C1 | 107.5° | 109.5° |
| C2 | C4 | H41 | 109.5° | 109.5° |
| C2 | C4 | H42 | 109.5° | 109.4° |
| C2 | C4 | H43 | 109.4° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.4° | 109.5° |
| C14 | C13 | N1 | 118.2° | 120.1° |
| C13 | C14 | H14 | 119.6° | 120.0° |
| C13 | N1 | H15 | 109.5° | 120.0° |
| C13 | N1 | H16 | 109.5° | 120.0° |
| H15 | N1 | H16 | 109.5° | 120.0° |
| H31 | C3 | H32 | 109.4° | 109.5° |
| H31 | C3 | H33 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.5° |
| H41 | C4 | H42 | 109.5° | 109.4° |
| H41 | C4 | H43 | 109.5° | 109.5° |
| H42 | C4 | H43 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H11 | C1 | H13 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H10 | C10 | H7L | 109.4° | 109.5° |
| H10 | C10 | H7M | 109.5° | 109.5° |
| H7L | C10 | H7M | 109.5° | 109.5° |
| H7N | C11 | H7O | 109.5° | 109.4° |
| H7N | C11 | H7P | 109.4° | 109.4° |
| H7O | C11 | H7P | 109.5° | 109.5° |
| H7Q | C12 | H7R | 109.4° | 109.4° |
| H7Q | C12 | H7S | 109.5° | 109.5° |
| H7R | C12 | H7S | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C11 | C12 | 116.2° | 119.9° |
| C10 | C9 | C11 | C8 | 120.7° | 120.0° |
| C10 | C9 | C12 | C8 | 118.8° | 120.0° |
| C10 | C9 | C8 | C7 | 2.5° | 0.6° |
| C10 | C9 | C8 | C13 | 176.4° | 178.9° |
| C9 | C10 | H10 | H7L | 120.0° | 120.0° |
| C9 | C10 | H10 | H7M | 120.0° | 119.9° |
| C9 | C10 | H7L | H7M | 120.0° | 120.0° |
| C10 | C9 | C11 | H7N | 180.0° | 52.4° |
| C10 | C9 | C11 | H7O | 60.0° | 67.6° |
| C10 | C9 | C11 | H7P | 60.0° | 172.4° |
| C10 | C9 | C12 | H7Q | 180.0° | 174.7° |
| C10 | C9 | C12 | H7R | 60.0° | 54.8° |
| C10 | C9 | C12 | H7S | 60.0° | 65.3° |
| C11 | C9 | C12 | C8 | 124.1° | 120.1° |
| C11 | C9 | C8 | C7 | 117.7° | 119.4° |
| C11 | C9 | C8 | C13 | 63.3° | 61.1° |
| C11 | C9 | C10 | H10 | 180.0° | 180.0° |
| C11 | C9 | C10 | H7L | 60.0° | 60.0° |
| C11 | C9 | C10 | H7M | 60.0° | 60.1° |
| C9 | C11 | H7N | H7O | 120.0° | 120.1° |
| C9 | C11 | H7N | H7P | 120.0° | 120.0° |
| C9 | C11 | H7O | H7P | 120.0° | 120.1° |
| C11 | C9 | C12 | H7Q | 62.9° | 54.7° |
| C11 | C9 | C12 | H7R | 177.1° | 65.2° |
| C11 | C9 | C12 | H7S | 57.1° | 174.7° |
| C12 | C9 | C8 | C7 | 120.0° | 120.5° |
| C12 | C9 | C8 | C13 | 59.0° | 59.0° |
| C12 | C9 | C10 | H10 | 62.5° | 60.0° |
| C12 | C9 | C10 | H7L | 177.6° | 60.0° |
| C12 | C9 | C10 | H7M | 57.6° | 180.0° |
| C12 | C9 | C11 | H7N | 63.8° | 172.4° |
| C12 | C9 | C11 | H7O | 56.2° | 52.3° |
| C12 | C9 | C11 | H7P | 176.2° | 67.7° |
| C9 | C12 | H7Q | H7R | 120.0° | 119.9° |
| C9 | C12 | H7Q | H7S | 120.0° | 120.0° |
| C9 | C12 | H7R | H7S | 120.0° | 120.1° |
| C9 | C8 | C7 | C13 | 179.1° | 179.5° |
| C9 | C8 | C7 | C6 | 179.4° | 180.0° |
| C9 | C8 | C13 | C14 | 179.3° | 179.7° |
| C9 | C8 | C13 | N1 | 1.0° | 0.2° |
| C9 | C8 | C7 | H7 | 0.6° | 0.0° |
| C8 | C9 | C10 | H10 | 57.3° | 60.0° |
| C8 | C9 | C10 | H7L | 62.7° | 180.0° |
| C8 | C9 | C10 | H7M | 177.3° | 60.0° |
| C8 | C9 | C11 | H7N | 59.3° | 67.6° |
| C8 | C9 | C11 | H7O | 179.3° | 172.4° |
| C8 | C9 | C11 | H7P | 60.7° | 52.3° |
| C8 | C9 | C12 | H7Q | 61.2° | 65.4° |
| C8 | C9 | C12 | H7R | 58.8° | 174.7° |
| C8 | C9 | C12 | H7S | 178.8° | 54.7° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.1° | 0.0° |
| C7 | C8 | C13 | C14 | 0.3° | 0.8° |
| C7 | C8 | C13 | N1 | 180.0° | 179.8° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| C13 | C8 | C7 | C6 | 0.3° | 0.5° |
| C8 | C13 | C14 | C5 | 0.1° | 0.6° |
| C8 | C13 | C14 | N1 | 179.7° | 179.4° |
| C8 | C13 | N1 | H15 | 180.0° | 176.1° |
| C8 | C13 | N1 | H16 | 60.0° | 4.1° |
| C13 | C8 | C7 | H7 | 179.7° | 179.5° |
| C8 | C13 | C14 | H14 | 179.9° | 179.5° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C2 | 179.5° | 180.0° |
| C7 | C6 | C5 | C14 | 0.1° | 0.2° |
| C6 | C5 | C2 | C14 | 179.4° | 179.8° |
| C6 | C5 | C2 | C3 | 120.3° | 0.0° |
| C6 | C5 | C2 | C4 | 120.6° | 120.0° |
| C6 | C5 | C2 | C1 | 2.2° | 120.0° |
| C6 | C5 | C14 | C13 | 0.1° | 0.0° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C5 | C14 | H14 | 179.9° | 180.0° |
| C5 | C2 | C3 | C4 | 118.2° | 120.0° |
| C5 | C2 | C3 | C1 | 123.7° | 120.0° |
| C5 | C2 | C4 | C1 | 121.3° | 120.0° |
| C2 | C5 | C14 | C13 | 179.5° | 179.7° |
| C5 | C2 | C3 | H31 | 180.0° | 180.0° |
| C5 | C2 | C3 | H32 | 60.0° | 60.0° |
| C5 | C2 | C3 | H33 | 60.0° | 59.9° |
| C5 | C2 | C4 | H41 | 180.0° | 60.0° |
| C5 | C2 | C4 | H42 | 60.0° | 59.9° |
| C5 | C2 | C4 | H43 | 60.0° | 180.0° |
| C2 | C5 | C6 | H6 | 0.5° | 0.0° |
| C5 | C2 | C1 | H11 | 180.0° | 180.0° |
| C5 | C2 | C1 | H12 | 60.0° | 60.0° |
| C5 | C2 | C1 | H13 | 60.0° | 60.0° |
| C2 | C5 | C14 | H14 | 0.5° | 0.2° |
| C14 | C5 | C2 | C3 | 60.3° | 179.8° |
| C14 | C5 | C2 | C4 | 58.8° | 60.2° |
| C14 | C5 | C2 | C1 | 177.2° | 59.8° |
| C5 | C14 | C13 | H14 | 180.0° | 179.9° |
| C5 | C14 | C13 | N1 | 179.8° | 180.0° |
| C14 | C5 | C6 | H6 | 179.8° | 179.8° |
| C3 | C2 | C4 | C1 | 119.8° | 120.0° |
| C2 | C3 | H31 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H33 | 120.0° | 120.0° |
| C2 | C3 | H32 | H33 | 120.0° | 119.9° |
| C3 | C2 | C4 | H41 | 61.1° | 60.1° |
| C3 | C2 | C4 | H42 | 178.9° | 180.0° |
| C3 | C2 | C4 | H43 | 58.9° | 60.0° |
| C3 | C2 | C1 | H11 | 58.1° | 60.0° |
| C3 | C2 | C1 | H12 | 61.9° | 180.0° |
| C3 | C2 | C1 | H13 | 178.1° | 60.0° |
| C4 | C2 | C3 | H31 | 61.8° | 60.0° |
| C4 | C2 | C3 | H32 | 58.2° | 180.0° |
| C4 | C2 | C3 | H33 | 178.2° | 60.1° |
| C2 | C4 | H41 | H42 | 120.0° | 119.9° |
| C2 | C4 | H41 | H43 | 120.0° | 120.0° |
| C2 | C4 | H42 | H43 | 120.0° | 120.0° |
| C4 | C2 | C1 | H11 | 61.3° | 60.0° |
| C4 | C2 | C1 | H12 | 178.7° | 60.0° |
| C4 | C2 | C1 | H13 | 58.7° | 180.0° |
| C1 | C2 | C3 | H31 | 56.4° | 60.0° |
| C1 | C2 | C3 | H32 | 176.3° | 60.0° |
| C1 | C2 | C3 | H33 | 63.7° | 180.0° |
| C1 | C2 | C4 | H41 | 58.7° | 180.0° |
| C1 | C2 | C4 | H42 | 61.3° | 60.1° |
| C1 | C2 | C4 | H43 | 178.7° | 60.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C14 | C13 | N1 | H15 | 0.3° | 4.4° |
| C14 | C13 | N1 | H16 | 120.3° | 175.3° |
| C13 | N1 | H15 | H16 | 120.0° | 179.8° |
| N1 | C13 | C14 | H14 | 0.2° | 0.1° |
| H31 | C3 | H32 | H33 | 120.0° | 120.1° |
| H41 | C4 | H42 | H43 | 120.0° | 120.0° |
| H6 | C6 | C7 | H7 | 0.0° | 0.0° |
| H11 | C1 | H12 | H13 | 120.0° | 119.9° |
| H10 | C10 | H7L | H7M | 120.0° | 120.1° |
| H7N | C11 | H7O | H7P | 120.0° | 119.9° |
| H7Q | C12 | H7R | H7S | 120.0° | 120.0° |
