A1C14
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | O | doub | 1.22Å | 1.27Å | |
| C15 | C14 | sing | 1.40Å | 1.40Å | |
| N1 | C15 | sing | 1.34Å | 1.36Å | |
| C14 | C6 | doub | 1.37Å | 1.41Å | |
| N | C6 | sing | 1.38Å | 1.35Å | |
| C6 | C5 | sing | 1.47Å | 1.40Å | |
| C7 | N | sing | 1.47Å | 1.46Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C8 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | N1 | sing | 1.38Å | 1.36Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.38Å | Aromatic |
| C16 | C1 | sing | 1.48Å | 1.48Å | |
| C16 | C18 | doub | 1.39Å | 1.48Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.46Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.50Å | |
| C18 | N2 | sing | 1.35Å | 1.35Å | Aromatic |
| N2 | O1 | sing | 1.21Å | 1.42Å | Aromatic |
| O1 | C17 | doub | 1.21Å | 1.36Å | Aromatic |
| C20 | C17 | sing | 1.51Å | 1.50Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C15 | C14 | 120.5° | 119.0° |
| O | C15 | N1 | 118.8° | 119.1° |
| C14 | C15 | N1 | 120.7° | 121.9° |
| C15 | C14 | C6 | 119.4° | 120.1° |
| C15 | C14 | H14 | 120.3° | 120.0° |
| C15 | N1 | C4 | 120.5° | 121.2° |
| C15 | N1 | H1 | 119.8° | 119.4° |
| C14 | C6 | N | 121.7° | 120.8° |
| C14 | C6 | C5 | 118.5° | 118.3° |
| C6 | C14 | H14 | 120.3° | 119.9° |
| N | C6 | C5 | 119.7° | 120.8° |
| C6 | N | C7 | 121.9° | 120.0° |
| C6 | N | HN | 106.3° | 120.1° |
| C6 | C5 | C | 121.7° | 121.1° |
| C6 | C5 | C4 | 120.1° | 118.8° |
| N | C7 | C8 | 115.2° | 109.5° |
| C7 | N | HN | 106.3° | 119.9° |
| N | C7 | H71 | 108.0° | 109.4° |
| N | C7 | H72 | 108.0° | 109.5° |
| C7 | C8 | C13 | 123.6° | 120.0° |
| C7 | C8 | C9 | 118.3° | 120.0° |
| C8 | C7 | H71 | 108.0° | 109.5° |
| C8 | C7 | H72 | 108.0° | 109.5° |
| C13 | C8 | C9 | 118.0° | 120.0° |
| C8 | C13 | C12 | 120.4° | 120.0° |
| C8 | C13 | H13 | 119.8° | 120.0° |
| C8 | C9 | C10 | 121.7° | 120.0° |
| C8 | C9 | H9 | 119.1° | 120.0° |
| C13 | C12 | C11 | 120.9° | 120.0° |
| C13 | C12 | H12 | 119.5° | 120.0° |
| C12 | C13 | H13 | 119.8° | 120.0° |
| C12 | C11 | C10 | 118.8° | 120.0° |
| C12 | C11 | H11 | 120.6° | 120.1° |
| C11 | C12 | H12 | 119.6° | 120.0° |
| C11 | C10 | C9 | 120.1° | 120.0° |
| C10 | C11 | H11 | 120.6° | 120.0° |
| C11 | C10 | H10 | 119.9° | 120.0° |
| C9 | C10 | H10 | 119.9° | 120.0° |
| C10 | C9 | H9 | 119.1° | 120.0° |
| C | C5 | C4 | 118.3° | 120.0° |
| C5 | C | C1 | 120.7° | 119.5° |
| C5 | C | H | 119.7° | 120.2° |
| C5 | C4 | N1 | 120.7° | 119.5° |
| C5 | C4 | C3 | 120.5° | 119.7° |
| C | C1 | C2 | 121.5° | 120.1° |
| C | C1 | C16 | 119.0° | 119.9° |
| C1 | C | H | 119.7° | 120.3° |
| N1 | C4 | C3 | 118.7° | 120.8° |
| C4 | N1 | H1 | 119.7° | 119.4° |
| C4 | C3 | C2 | 121.6° | 120.1° |
| C4 | C3 | H3 | 119.2° | 120.0° |
| C3 | C2 | C1 | 117.4° | 120.6° |
| C3 | C2 | H2 | 121.3° | 119.8° |
| C2 | C3 | H3 | 119.2° | 119.9° |
| C2 | C1 | C16 | 119.5° | 119.9° |
| C1 | C2 | H2 | 121.3° | 119.7° |
| C1 | C16 | C18 | 127.6° | 128.5° |
| C1 | C16 | C17 | 128.5° | 128.5° |
| C18 | C16 | C17 | 103.9° | 103.0° |
| C16 | C18 | C19 | 127.4° | 128.0° |
| C16 | C18 | N2 | 107.9° | 104.1° |
| C16 | C17 | O1 | 109.7° | 107.8° |
| C16 | C17 | C20 | 134.2° | 126.1° |
| C19 | C18 | N2 | 124.7° | 127.9° |
| C18 | C19 | H191 | 109.5° | 109.5° |
| C18 | C19 | H192 | 109.5° | 109.5° |
| C18 | C19 | H193 | 109.5° | 109.5° |
| C18 | N2 | O1 | 110.7° | 110.6° |
| C18 | N2 | HN2 | 124.7° | 124.7° |
| N2 | O1 | C17 | 107.8° | 114.5° |
| O1 | N2 | HN2 | 124.6° | 124.7° |
| O1 | C17 | C20 | 116.1° | 126.1° |
| C17 | C20 | H201 | 109.5° | 109.5° |
| C17 | C20 | H202 | 109.4° | 109.5° |
| C17 | C20 | H203 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.4° |
| H191 | C19 | H193 | 109.4° | 109.4° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.4° |
| H71 | C7 | H72 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C15 | C14 | N1 | 179.5° | 179.9° |
| O | C15 | C14 | C6 | 179.8° | 180.0° |
| O | C15 | N1 | C4 | 178.7° | 179.9° |
| O | C15 | C14 | H14 | 0.2° | 0.0° |
| O | C15 | N1 | H1 | 1.3° | 0.1° |
| C15 | C14 | C6 | H14 | 180.0° | 180.0° |
| C15 | C14 | C6 | N | 179.6° | 180.0° |
| C15 | C14 | C6 | C5 | 0.3° | 0.0° |
| C14 | C15 | N1 | C4 | 1.7° | 0.2° |
| C14 | C15 | N1 | H1 | 178.3° | 180.0° |
| N1 | C15 | C14 | C6 | 0.7° | 0.1° |
| C15 | N1 | C4 | C5 | 1.7° | 0.2° |
| C15 | N1 | C4 | H1 | 180.0° | 179.8° |
| C15 | N1 | C4 | C3 | 179.9° | 179.9° |
| N1 | C15 | C14 | H14 | 179.3° | 179.9° |
| C14 | C6 | N | C5 | 179.3° | 179.9° |
| C14 | C6 | N | C7 | 10.8° | 0.1° |
| C14 | C6 | C5 | C | 179.2° | 179.9° |
| C14 | C6 | C5 | C4 | 0.3° | 0.1° |
| C14 | C6 | N | HN | 110.9° | 180.0° |
| C6 | N | C7 | HN | 121.7° | 179.9° |
| C6 | N | C7 | C8 | 82.2° | 180.0° |
| N | C6 | C5 | C | 1.5° | 0.2° |
| N | C6 | C5 | C4 | 179.6° | 180.0° |
| N | C6 | C14 | H14 | 0.4° | 0.1° |
| C6 | N | C7 | H71 | 38.7° | 60.1° |
| C6 | N | C7 | H72 | 156.9° | 59.9° |
| C5 | C6 | N | C7 | 168.5° | 180.0° |
| C6 | C5 | C | C4 | 178.9° | 179.8° |
| C6 | C5 | C | C1 | 179.1° | 180.0° |
| C6 | C5 | C4 | N1 | 0.7° | 0.2° |
| C6 | C5 | C4 | C3 | 179.0° | 180.0° |
| C5 | C6 | N | HN | 69.8° | 0.1° |
| C6 | C5 | C | H | 0.8° | 0.2° |
| C5 | C6 | C14 | H14 | 179.7° | 180.0° |
| N | C7 | C8 | H71 | 120.9° | 119.9° |
| N | C7 | C8 | H72 | 120.9° | 120.1° |
| N | C7 | C8 | C13 | 15.7° | 89.9° |
| N | C7 | C8 | C9 | 164.9° | 89.8° |
| N | C7 | H71 | H72 | 117.4° | 120.0° |
| C7 | C8 | C13 | C9 | 179.4° | 179.7° |
| C7 | C8 | C13 | C12 | 179.6° | 180.0° |
| C7 | C8 | C9 | C10 | 179.9° | 179.7° |
| C8 | C7 | N | HN | 156.0° | 0.1° |
| C7 | C8 | C13 | H13 | 0.4° | 0.1° |
| C8 | C7 | H71 | H72 | 117.4° | 120.0° |
| C7 | C8 | C9 | H9 | 0.1° | 0.3° |
| C8 | C13 | C12 | H13 | 180.0° | 179.9° |
| C8 | C13 | C12 | C11 | 0.7° | 0.1° |
| C13 | C8 | C9 | C10 | 0.7° | 0.6° |
| C8 | C13 | C12 | H12 | 179.3° | 180.0° |
| C13 | C8 | C7 | H71 | 136.6° | 30.0° |
| C13 | C8 | C7 | H72 | 105.2° | 150.0° |
| C13 | C8 | C9 | H9 | 179.3° | 180.0° |
| C9 | C8 | C13 | C12 | 0.2° | 0.3° |
| C8 | C9 | C10 | C11 | 0.3° | 0.6° |
| C8 | C9 | C10 | H9 | 180.0° | 179.5° |
| C8 | C9 | C10 | H10 | 179.7° | 179.5° |
| C9 | C8 | C13 | H13 | 179.8° | 179.8° |
| C9 | C8 | C7 | H71 | 44.0° | 150.3° |
| C9 | C8 | C7 | H72 | 74.3° | 30.3° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 1.0° | 0.1° |
| C13 | C12 | C11 | H11 | 179.0° | 179.7° |
| C12 | C11 | C10 | H11 | 180.0° | 179.7° |
| C12 | C11 | C10 | C9 | 0.5° | 0.3° |
| C12 | C11 | C10 | H10 | 179.4° | 179.7° |
| C11 | C12 | C13 | H13 | 179.3° | 180.0° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 178.9° | 180.0° |
| C11 | C10 | C9 | H9 | 179.7° | 180.0° |
| C9 | C10 | C11 | H11 | 179.5° | 180.0° |
| C5 | C | C1 | H | 180.0° | 179.9° |
| C | C5 | C4 | N1 | 178.2° | 180.0° |
| C | C5 | C4 | C3 | 0.1° | 0.1° |
| C5 | C | C1 | C2 | 2.6° | 0.1° |
| C5 | C | C1 | C16 | 178.6° | 179.8° |
| C4 | C5 | C | C1 | 2.0° | 0.1° |
| C5 | C4 | N1 | C3 | 178.4° | 179.9° |
| C5 | C4 | C3 | C2 | 1.2° | 0.1° |
| C5 | C4 | C3 | H3 | 178.9° | 179.9° |
| C4 | C5 | C | H | 178.1° | 180.0° |
| C5 | C4 | N1 | H1 | 178.3° | 180.0° |
| C | C1 | C2 | C3 | 1.3° | 0.0° |
| C | C1 | C2 | C16 | 178.8° | 179.7° |
| C | C1 | C16 | C18 | 48.0° | 115.3° |
| C | C1 | C16 | C17 | 132.3° | 64.6° |
| C | C1 | C2 | H2 | 178.7° | 180.0° |
| N1 | C4 | C3 | C2 | 179.6° | 179.9° |
| N1 | C4 | C3 | H3 | 0.5° | 0.1° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.6° | 0.0° |
| C4 | C3 | C2 | H2 | 179.4° | 180.0° |
| C3 | C4 | N1 | H1 | 0.1° | 0.1° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C16 | 179.9° | 179.7° |
| C2 | C1 | C16 | C18 | 133.1° | 65.0° |
| C2 | C1 | C16 | C17 | 46.5° | 115.0° |
| C1 | C2 | C3 | H3 | 179.4° | 180.0° |
| C2 | C1 | C | H | 177.4° | 180.0° |
| C1 | C16 | C18 | C17 | 179.7° | 180.0° |
| C1 | C16 | C18 | C19 | 0.2° | 0.3° |
| C1 | C16 | C18 | N2 | 179.8° | 180.0° |
| C1 | C16 | C17 | O1 | 179.5° | 180.0° |
| C1 | C16 | C17 | C20 | 0.4° | 0.1° |
| C16 | C1 | C2 | H2 | 0.1° | 0.3° |
| C16 | C1 | C | H | 1.4° | 0.3° |
| C16 | C18 | C19 | N2 | 179.5° | 179.7° |
| C16 | C18 | N2 | O1 | 0.5° | 0.0° |
| C18 | C16 | C17 | O1 | 0.7° | 0.0° |
| C18 | C16 | C17 | C20 | 179.3° | 179.9° |
| C16 | C18 | C19 | H191 | 90.2° | 89.7° |
| C16 | C18 | C19 | H192 | 149.7° | 30.3° |
| C16 | C18 | C19 | H193 | 29.7° | 150.3° |
| C16 | C18 | N2 | HN2 | 179.5° | 179.8° |
| C17 | C16 | C18 | C19 | 179.5° | 179.8° |
| C17 | C16 | C18 | N2 | 0.1° | 0.0° |
| C16 | C17 | O1 | N2 | 1.1° | 0.0° |
| C16 | C17 | O1 | C20 | 179.9° | 179.9° |
| C16 | C17 | C20 | H201 | 90.1° | 90.0° |
| C16 | C17 | C20 | H202 | 149.9° | 150.0° |
| C16 | C17 | C20 | H203 | 30.0° | 30.1° |
| C19 | C18 | N2 | O1 | 179.9° | 179.8° |
| C18 | C19 | H191 | H192 | 120.0° | 120.0° |
| C18 | C19 | H191 | H193 | 120.0° | 120.0° |
| C18 | C19 | H192 | H193 | 120.0° | 120.0° |
| C19 | C18 | N2 | HN2 | 0.1° | 0.1° |
| C18 | N2 | O1 | HN2 | 180.0° | 179.9° |
| C18 | N2 | O1 | C17 | 1.0° | 0.0° |
| N2 | C18 | C19 | H191 | 90.2° | 90.0° |
| N2 | C18 | C19 | H192 | 29.8° | 150.1° |
| N2 | C18 | C19 | H193 | 149.8° | 30.0° |
| N2 | O1 | C17 | C20 | 179.0° | 179.9° |
| O1 | C17 | C20 | H201 | 90.0° | 89.9° |
| O1 | C17 | C20 | H202 | 30.0° | 30.1° |
| O1 | C17 | C20 | H203 | 150.0° | 150.1° |
| C17 | O1 | N2 | HN2 | 179.0° | 179.8° |
| C17 | C20 | H201 | H202 | 120.0° | 120.0° |
| C17 | C20 | H201 | H203 | 120.0° | 120.0° |
| C17 | C20 | H202 | H203 | 120.0° | 120.0° |
| H2 | C2 | C3 | H3 | 0.5° | 0.0° |
| H11 | C11 | C10 | H10 | 0.5° | 0.0° |
| H11 | C11 | C12 | H12 | 1.0° | 0.4° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| HN | N | C7 | H71 | 83.1° | 120.0° |
| HN | N | C7 | H72 | 35.2° | 120.0° |
| H10 | C10 | C9 | H9 | 0.3° | 0.0° |
| H12 | C12 | C13 | H13 | 0.7° | 0.2° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
