A1C0R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C4 | sing | 1.47Å | 1.49Å | |
| C4 | C5 | sing | 1.41Å | 1.43Å | |
| C5 | N6 | doub | 1.31Å | 1.31Å | |
| N6 | C7 | sing | 1.34Å | 1.36Å | |
| C7 | N8 | doub | 1.33Å | 1.32Å | |
| N8 | C9 | sing | 1.32Å | 1.36Å | |
| C9 | O10 | doub | 1.22Å | 1.23Å | |
| C9 | N11 | sing | 1.34Å | 1.38Å | |
| N11 | C12 | sing | 1.35Å | 1.36Å | |
| C12 | N13 | sing | 1.35Å | 1.33Å | |
| N13 | C14 | sing | 1.46Å | 1.45Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | O16 | sing | 1.43Å | 1.43Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | O18 | sing | 1.43Å | 1.42Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | O20 | sing | 1.43Å | 1.43Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | O22 | sing | 1.43Å | 1.42Å | |
| C12 | C23 | doub | 1.46Å | 1.41Å | |
| C23 | N24 | sing | 1.32Å | 1.38Å | |
| C23 | C7 | sing | 1.47Å | 1.47Å | |
| N24 | C4 | doub | 1.33Å | 1.33Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å | |
| O16 | H16 | sing | 0.97Å | 0.95Å | |
| O18 | H18 | sing | 0.97Å | 0.95Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å | |
| C2 | O1 | doub | 1.21Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C4 | 118.9° | 120.0° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1C | 109.4° | 109.4° |
| C1 | C2 | O1 | 144.6° | 120.0° |
| C2 | C4 | C5 | 121.7° | 119.5° |
| C2 | C4 | N24 | 116.8° | 119.5° |
| C4 | C2 | O1 | 93.8° | 120.0° |
| C4 | C5 | N6 | 124.4° | 121.3° |
| C5 | C4 | N24 | 121.5° | 121.0° |
| C4 | C5 | H5 | 117.8° | 119.3° |
| C5 | N6 | C7 | 116.8° | 119.5° |
| N6 | C5 | H5 | 117.8° | 119.4° |
| N6 | C7 | N8 | 115.3° | 122.4° |
| N6 | C7 | C23 | 119.5° | 119.1° |
| C7 | N8 | C9 | 118.1° | 121.2° |
| N8 | C7 | C23 | 125.2° | 118.5° |
| N8 | C9 | O10 | 121.9° | 118.0° |
| N8 | C9 | N11 | 119.3° | 124.0° |
| O10 | C9 | N11 | 118.7° | 118.0° |
| C9 | N11 | C12 | 125.0° | 121.3° |
| C9 | N11 | H11 | 117.5° | 119.4° |
| N11 | C12 | N13 | 120.4° | 121.4° |
| N11 | C12 | C23 | 117.5° | 117.3° |
| C12 | N11 | H11 | 117.5° | 119.3° |
| C12 | N13 | C14 | 123.3° | 120.0° |
| N13 | C12 | C23 | 122.1° | 121.4° |
| C12 | N13 | H13 | 105.9° | 120.0° |
| N13 | C14 | C15 | 112.1° | 109.5° |
| N13 | C14 | H14A | 108.8° | 109.5° |
| N13 | C14 | H14B | 108.8° | 109.4° |
| C14 | N13 | H13 | 105.9° | 120.0° |
| C14 | C15 | O16 | 109.4° | 109.5° |
| C14 | C15 | C17 | 110.6° | 109.5° |
| C15 | C14 | H14A | 108.8° | 109.5° |
| C15 | C14 | H14B | 108.8° | 109.5° |
| C14 | C15 | H15 | 108.5° | 109.5° |
| O16 | C15 | C17 | 110.1° | 109.4° |
| O16 | C15 | H15 | 109.8° | 109.4° |
| C15 | O16 | H16 | 109.5° | 114.0° |
| C15 | C17 | O18 | 108.7° | 109.4° |
| C15 | C17 | C19 | 113.5° | 109.5° |
| C17 | C15 | H15 | 108.5° | 109.5° |
| C15 | C17 | H17 | 108.1° | 109.5° |
| O18 | C17 | C19 | 108.8° | 109.5° |
| O18 | C17 | H17 | 109.5° | 109.4° |
| C17 | O18 | H18 | 109.5° | 114.0° |
| C17 | C19 | O20 | 109.0° | 109.5° |
| C17 | C19 | C21 | 111.7° | 109.5° |
| C19 | C17 | H17 | 108.1° | 109.5° |
| C17 | C19 | H19 | 108.4° | 109.5° |
| O20 | C19 | C21 | 109.3° | 109.5° |
| O20 | C19 | H19 | 109.8° | 109.5° |
| C19 | O20 | H20 | 109.5° | 114.0° |
| C19 | C21 | O22 | 111.8° | 109.5° |
| C21 | C19 | H19 | 108.5° | 109.4° |
| C19 | C21 | H21A | 108.9° | 109.5° |
| C19 | C21 | H21B | 108.9° | 109.5° |
| O22 | C21 | H21A | 108.9° | 109.5° |
| O22 | C21 | H21B | 108.9° | 109.4° |
| C21 | O22 | H22 | 109.5° | 113.9° |
| C12 | C23 | N24 | 123.1° | 122.6° |
| C12 | C23 | C7 | 114.9° | 117.6° |
| N24 | C23 | C7 | 121.9° | 119.8° |
| C23 | N24 | C4 | 115.7° | 119.4° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1C | 109.5° | 109.5° |
| H1B | C1 | H1C | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.4° |
| H21A | C21 | H21B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C4 | O1 | 165.9° | 180.0° |
| C1 | C2 | C4 | C5 | 163.6° | 180.0° |
| C1 | C2 | C4 | N24 | 16.8° | 0.1° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1C | 120.0° | 120.0° |
| C2 | C1 | H1B | H1C | 120.0° | 120.0° |
| C2 | C4 | C5 | N24 | 179.5° | 180.0° |
| C2 | C4 | C5 | N6 | 179.4° | 179.9° |
| C2 | C4 | N24 | C23 | 179.4° | 180.0° |
| C4 | C2 | C1 | H1A | 155.2° | 0.0° |
| C4 | C2 | C1 | H1B | 84.8° | 120.0° |
| C4 | C2 | C1 | H1C | 35.2° | 120.0° |
| C2 | C4 | C5 | H5 | 0.6° | 0.0° |
| C4 | C5 | N6 | H5 | 180.0° | 179.9° |
| C4 | C5 | N6 | C7 | 0.0° | 0.0° |
| C5 | C4 | N24 | C23 | 0.1° | 0.0° |
| C5 | C4 | C2 | O1 | 30.4° | 0.0° |
| C5 | N6 | C7 | N8 | 179.9° | 180.0° |
| C5 | N6 | C7 | C23 | 0.0° | 0.0° |
| N6 | C5 | C4 | N24 | 0.1° | 0.0° |
| N6 | C7 | N8 | C23 | 179.9° | 180.0° |
| N6 | C7 | N8 | C9 | 179.9° | 179.8° |
| N6 | C7 | C23 | C12 | 179.8° | 180.0° |
| N6 | C7 | C23 | N24 | 0.0° | 0.0° |
| C7 | N6 | C5 | H5 | 180.0° | 180.0° |
| C7 | N8 | C9 | O10 | 179.4° | 179.7° |
| C7 | N8 | C9 | N11 | 0.0° | 0.2° |
| N8 | C7 | C23 | C12 | 0.2° | 0.0° |
| N8 | C7 | C23 | N24 | 179.9° | 180.0° |
| N8 | C9 | O10 | N11 | 179.4° | 179.9° |
| N8 | C9 | N11 | C12 | 0.1° | 0.1° |
| C9 | N8 | C7 | C23 | 0.1° | 0.3° |
| N8 | C9 | N11 | H11 | 179.9° | 180.0° |
| O10 | C9 | N11 | C12 | 179.5° | 180.0° |
| O10 | C9 | N11 | H11 | 0.5° | 0.1° |
| C9 | N11 | C12 | H11 | 180.0° | 179.9° |
| C9 | N11 | C12 | N13 | 179.5° | 180.0° |
| C9 | N11 | C12 | C23 | 0.0° | 0.3° |
| N11 | C12 | N13 | C23 | 179.5° | 179.7° |
| N11 | C12 | N13 | C14 | 28.0° | 0.3° |
| N11 | C12 | C23 | N24 | 180.0° | 179.8° |
| N11 | C12 | C23 | C7 | 0.2° | 0.2° |
| N11 | C12 | N13 | H13 | 93.9° | 179.7° |
| C12 | N13 | C14 | H13 | 121.9° | 179.9° |
| C12 | N13 | C14 | C15 | 108.7° | 180.0° |
| N13 | C12 | C23 | N24 | 0.5° | 0.0° |
| N13 | C12 | C23 | C7 | 179.3° | 180.0° |
| C12 | N13 | C14 | H14A | 130.9° | 59.9° |
| C12 | N13 | C14 | H14B | 11.7° | 60.0° |
| N13 | C12 | N11 | H11 | 0.6° | 0.0° |
| N13 | C14 | C15 | H14A | 120.4° | 120.1° |
| N13 | C14 | C15 | H14B | 120.4° | 119.9° |
| N13 | C14 | C15 | O16 | 47.7° | 60.0° |
| N13 | C14 | C15 | C17 | 73.7° | 180.0° |
| C14 | N13 | C12 | C23 | 151.4° | 180.0° |
| N13 | C14 | H14A | H14B | 118.8° | 119.9° |
| N13 | C14 | C15 | H15 | 167.5° | 59.9° |
| C14 | C15 | O16 | C17 | 121.8° | 120.0° |
| C14 | C15 | O16 | H15 | 118.9° | 120.0° |
| C14 | C15 | C17 | H15 | 118.9° | 120.1° |
| C14 | C15 | C17 | O18 | 46.4° | 60.0° |
| C14 | C15 | C17 | C19 | 167.7° | 180.0° |
| C15 | C14 | H14A | H14B | 118.8° | 120.0° |
| C14 | C15 | C17 | H17 | 72.4° | 59.9° |
| C15 | C14 | N13 | H13 | 13.2° | 0.1° |
| C14 | C15 | O16 | H16 | 180.0° | 60.0° |
| O16 | C15 | C17 | H15 | 120.1° | 119.9° |
| O16 | C15 | C17 | O18 | 167.4° | 180.0° |
| O16 | C15 | C17 | C19 | 71.3° | 60.0° |
| O16 | C15 | C14 | H14A | 72.7° | 60.0° |
| O16 | C15 | C14 | H14B | 168.1° | 180.0° |
| O16 | C15 | C17 | H17 | 48.6° | 60.1° |
| C15 | C17 | O18 | C19 | 124.1° | 120.0° |
| C15 | C17 | O18 | H17 | 117.9° | 120.0° |
| C15 | C17 | C19 | H17 | 119.9° | 120.0° |
| C15 | C17 | C19 | O20 | 179.3° | 60.0° |
| C15 | C17 | C19 | C21 | 58.4° | 180.0° |
| C17 | C15 | C14 | H14A | 165.9° | 59.9° |
| C17 | C15 | C14 | H14B | 46.7° | 60.1° |
| C15 | C17 | C19 | H19 | 61.2° | 60.0° |
| C17 | C15 | O16 | H16 | 58.2° | 60.1° |
| C15 | C17 | O18 | H18 | 180.0° | 60.1° |
| O18 | C17 | C19 | H17 | 118.9° | 120.0° |
| O18 | C17 | C19 | O20 | 58.2° | 180.0° |
| O18 | C17 | C19 | C21 | 62.8° | 60.0° |
| O18 | C17 | C15 | H15 | 72.5° | 60.1° |
| O18 | C17 | C19 | H19 | 177.6° | 60.0° |
| C17 | C19 | O20 | C21 | 122.4° | 120.0° |
| C17 | C19 | O20 | H19 | 118.6° | 120.0° |
| C17 | C19 | C21 | H19 | 119.5° | 120.0° |
| C17 | C19 | C21 | O22 | 169.7° | 175.0° |
| C19 | C17 | C15 | H15 | 48.8° | 59.9° |
| C17 | C19 | C21 | H21A | 70.0° | 55.0° |
| C17 | C19 | C21 | H21B | 49.3° | 65.0° |
| C19 | C17 | O18 | H18 | 56.0° | 60.0° |
| C17 | C19 | O20 | H20 | 180.0° | 60.0° |
| O20 | C19 | C21 | H19 | 119.7° | 120.0° |
| O20 | C19 | C21 | O22 | 48.9° | 64.9° |
| O20 | C19 | C17 | H17 | 60.7° | 60.0° |
| O20 | C19 | C21 | H21A | 169.3° | 175.0° |
| O20 | C19 | C21 | H21B | 71.4° | 55.0° |
| C19 | C21 | O22 | H21A | 120.4° | 120.0° |
| C19 | C21 | O22 | H21B | 120.3° | 120.0° |
| C21 | C19 | C17 | H17 | 178.3° | 60.0° |
| C19 | C21 | H21A | H21B | 118.9° | 120.0° |
| C21 | C19 | O20 | H20 | 57.6° | 60.0° |
| C19 | C21 | O22 | H22 | 180.0° | 180.0° |
| O22 | C21 | C19 | H19 | 70.8° | 55.1° |
| O22 | C21 | H21A | H21B | 119.0° | 120.0° |
| C12 | C23 | N24 | C7 | 179.9° | 180.0° |
| C12 | C23 | N24 | C4 | 179.9° | 180.0° |
| C23 | C12 | N11 | H11 | 180.0° | 179.8° |
| C23 | C12 | N13 | H13 | 86.7° | 0.1° |
| C7 | C23 | N24 | C4 | 0.0° | 0.0° |
| N24 | C4 | C5 | H5 | 179.9° | 179.9° |
| N24 | C4 | C2 | O1 | 149.1° | 179.9° |
| H1A | C1 | H1B | H1C | 120.0° | 120.0° |
| H1A | C1 | C2 | O1 | 0.0° | 180.0° |
| H1B | C1 | C2 | O1 | 120.0° | 60.0° |
| H1C | C1 | C2 | O1 | 120.0° | 60.0° |
| H14A | C14 | C15 | H15 | 47.0° | NaN° |
| H14A | C14 | N13 | H13 | 107.2° | 120.0° |
| H14B | C14 | C15 | H15 | 72.2° | 60.0° |
| H14B | C14 | N13 | H13 | 133.6° | 120.0° |
| H15 | C15 | C17 | H17 | 168.7° | 180.0° |
| H15 | C15 | O16 | H16 | 61.1° | 180.0° |
| H17 | C17 | C19 | H19 | 58.7° | 179.9° |
| H17 | C17 | O18 | H18 | 62.1° | 180.0° |
| H19 | C19 | C21 | H21A | 49.5° | 65.0° |
| H19 | C19 | C21 | H21B | 168.8° | 175.0° |
| H19 | C19 | O20 | H20 | 61.3° | 180.0° |
| H21A | C21 | O22 | H22 | 59.6° | 60.0° |
| H21B | C21 | O22 | H22 | 59.7° | 60.0° |
