A1CC6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.22Å | 1.22Å | |
| C2 | N3 | sing | 1.34Å | 1.39Å | |
| N3 | C4 | sing | 1.47Å | 1.46Å | |
| N3 | C5 | sing | 1.35Å | 1.40Å | |
| C5 | C6 | sing | 1.41Å | 1.43Å | |
| C6 | N7 | sing | 1.38Å | 1.38Å | Aromatic |
| N7 | C8 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | N10 | sing | 1.35Å | 1.35Å | |
| N10 | C11 | sing | 1.39Å | 1.40Å | |
| C11 | N12 | doub | 1.32Å | 1.33Å | Aromatic |
| N12 | N13 | sing | 1.28Å | 1.35Å | Aromatic |
| N13 | C14 | doub | 1.33Å | 1.34Å | Aromatic |
| C14 | C15 | sing | 1.48Å | 1.48Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | O23 | doub | 1.21Å | 1.23Å | |
| N7 | C24 | sing | 1.35Å | 1.35Å | Aromatic |
| C24 | N25 | doub | 1.31Å | 1.31Å | Aromatic |
| C6 | C26 | doub | 1.39Å | 1.36Å | Aromatic |
| C26 | N27 | sing | 1.38Å | 1.37Å | |
| N27 | C28 | sing | 1.46Å | 1.46Å | |
| C5 | O29 | doub | 1.22Å | 1.22Å | |
| N27 | C2 | sing | 1.35Å | 1.39Å | |
| C22 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | N25 | sing | 1.34Å | 1.36Å | Aromatic |
| C4 | H4C | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H28C | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | N3 | 121.3° | 119.2° |
| O1 | C2 | N27 | 121.4° | 119.2° |
| C2 | N3 | C4 | 116.7° | 119.5° |
| C2 | N3 | C5 | 126.1° | 121.0° |
| N3 | C2 | N27 | 117.3° | 121.7° |
| C4 | N3 | C5 | 117.2° | 119.5° |
| N3 | C4 | H4C | 109.5° | 109.4° |
| N3 | C4 | H4B | 109.5° | 109.4° |
| N3 | C4 | H4A | 109.5° | 109.5° |
| N3 | C5 | C6 | 112.3° | 119.2° |
| N3 | C5 | O29 | 120.2° | 120.4° |
| C5 | C6 | N7 | 131.8° | 134.6° |
| C5 | C6 | C26 | 123.0° | 119.2° |
| C6 | C5 | O29 | 127.5° | 120.4° |
| C6 | N7 | C8 | 126.9° | 126.5° |
| C6 | N7 | C24 | 105.9° | 107.0° |
| N7 | C6 | C26 | 105.2° | 106.2° |
| N7 | C8 | C9 | 111.2° | 109.5° |
| C8 | N7 | C24 | 126.9° | 126.5° |
| N7 | C8 | H8B | 109.0° | 109.5° |
| N7 | C8 | H8A | 109.0° | 109.4° |
| C8 | C9 | N10 | 113.5° | 120.0° |
| C8 | C9 | O23 | 121.5° | 120.0° |
| C9 | C8 | H8B | 109.0° | 109.5° |
| C9 | C8 | H8A | 109.0° | 109.5° |
| C9 | N10 | C11 | 130.0° | 120.0° |
| N10 | C9 | O23 | 125.0° | 120.0° |
| C9 | N10 | H10 | 115.0° | 120.0° |
| N10 | C11 | N12 | 112.3° | 120.1° |
| N10 | C11 | C22 | 125.1° | 120.1° |
| C11 | N10 | H10 | 115.0° | 120.0° |
| C11 | N12 | N13 | 119.5° | 122.3° |
| N12 | C11 | C22 | 122.4° | 119.9° |
| N12 | N13 | C14 | 120.7° | 122.1° |
| N13 | C14 | C15 | 116.1° | 120.1° |
| N13 | C14 | C21 | 121.3° | 119.8° |
| C14 | C15 | C16 | 120.8° | 120.1° |
| C15 | C14 | C21 | 122.4° | 120.1° |
| C14 | C15 | C20 | 120.9° | 120.1° |
| C15 | C16 | C17 | 120.7° | 119.8° |
| C16 | C15 | C20 | 118.3° | 119.8° |
| C15 | C16 | H16 | 119.6° | 120.1° |
| C16 | C17 | C18 | 120.3° | 120.1° |
| C16 | C17 | H17 | 119.8° | 119.9° |
| C17 | C16 | H16 | 119.7° | 120.1° |
| C17 | C18 | C19 | 119.8° | 120.3° |
| C18 | C17 | H17 | 119.9° | 120.0° |
| C17 | C18 | H18 | 120.1° | 119.8° |
| C18 | C19 | C20 | 120.3° | 120.1° |
| C19 | C18 | H18 | 120.1° | 119.9° |
| C18 | C19 | H19 | 119.8° | 119.9° |
| C19 | C20 | C15 | 120.6° | 119.9° |
| C19 | C20 | H20 | 119.7° | 120.0° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C14 | C21 | C22 | 118.4° | 118.0° |
| C14 | C21 | H21 | 120.8° | 121.0° |
| C21 | C22 | C11 | 117.6° | 118.0° |
| C22 | C21 | H21 | 120.8° | 121.0° |
| C21 | C22 | H22 | 121.2° | 121.0° |
| N7 | C24 | N25 | 113.2° | 109.7° |
| N7 | C24 | H24 | 123.4° | 125.2° |
| C24 | N25 | C26 | 103.9° | 109.8° |
| N25 | C24 | H24 | 123.4° | 125.1° |
| C6 | C26 | N27 | 121.6° | 118.8° |
| C6 | C26 | N25 | 111.9° | 107.3° |
| C26 | N27 | C28 | 121.6° | 119.9° |
| C26 | N27 | C2 | 119.7° | 120.1° |
| N27 | C26 | N25 | 126.5° | 133.9° |
| C28 | N27 | C2 | 118.7° | 119.9° |
| N27 | C28 | H28C | 109.5° | 109.5° |
| N27 | C28 | H28B | 109.4° | 109.5° |
| N27 | C28 | H28A | 109.4° | 109.5° |
| C11 | C22 | H22 | 121.2° | 121.0° |
| C15 | C20 | H20 | 119.7° | 120.1° |
| H4C | C4 | H4B | 109.4° | 109.5° |
| H4C | C4 | H4A | 109.4° | 109.5° |
| H4B | C4 | H4A | 109.5° | 109.5° |
| H8B | C8 | H8A | 109.4° | 109.5° |
| H28C | C28 | H28B | 109.5° | 109.4° |
| H28C | C28 | H28A | 109.5° | 109.4° |
| H28B | C28 | H28A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | N3 | N27 | 179.4° | 179.7° |
| O1 | C2 | N3 | C4 | 2.7° | 0.0° |
| O1 | C2 | N3 | C5 | 177.8° | 179.7° |
| O1 | C2 | N27 | C26 | 177.4° | 179.7° |
| O1 | C2 | N27 | C28 | 4.0° | 0.0° |
| C2 | N3 | C4 | C5 | 179.5° | 179.8° |
| C2 | N3 | C5 | C6 | 0.9° | 0.2° |
| N3 | C2 | N27 | C26 | 2.0° | 0.5° |
| N3 | C2 | N27 | C28 | 176.6° | 179.8° |
| C2 | N3 | C5 | O29 | 178.4° | 179.8° |
| C2 | N3 | C4 | H4C | 180.0° | 90.3° |
| C2 | N3 | C4 | H4B | 60.0° | 29.8° |
| C2 | N3 | C4 | H4A | 60.0° | 149.8° |
| C4 | N3 | C5 | C6 | 178.5° | 180.0° |
| C4 | N3 | C5 | O29 | 2.2° | 0.0° |
| C4 | N3 | C2 | N27 | 177.9° | 179.7° |
| N3 | C4 | H4C | H4B | 120.0° | 120.0° |
| N3 | C4 | H4C | H4A | 120.0° | 120.0° |
| N3 | C4 | H4B | H4A | 120.0° | 120.0° |
| N3 | C5 | C6 | O29 | 179.2° | 180.0° |
| N3 | C5 | C6 | N7 | 178.2° | 180.0° |
| N3 | C5 | C6 | C26 | 0.9° | 0.0° |
| C5 | N3 | C2 | N27 | 1.5° | 0.5° |
| C5 | N3 | C4 | H4C | 0.5° | 90.0° |
| C5 | N3 | C4 | H4B | 120.5° | 150.0° |
| C5 | N3 | C4 | H4A | 119.5° | 30.0° |
| C5 | C6 | N7 | C26 | 177.7° | 180.0° |
| C5 | C6 | N7 | C8 | 8.2° | 0.0° |
| C5 | C6 | N7 | C24 | 177.5° | 180.0° |
| C5 | C6 | C26 | N27 | 1.5° | 0.0° |
| C5 | C6 | C26 | N25 | 177.8° | 180.0° |
| C6 | N7 | C8 | C24 | 173.2° | 180.0° |
| C6 | N7 | C8 | C9 | 103.3° | 85.0° |
| C6 | N7 | C24 | N25 | 0.1° | 0.0° |
| N7 | C6 | C26 | N27 | 179.4° | 180.0° |
| N7 | C6 | C5 | O29 | 1.1° | 0.0° |
| N7 | C6 | C26 | N25 | 0.2° | 0.0° |
| C6 | N7 | C8 | H8B | 17.0° | 35.0° |
| C6 | N7 | C8 | H8A | 136.5° | 155.0° |
| C6 | N7 | C24 | H24 | 179.9° | 180.0° |
| N7 | C8 | C9 | H8B | 120.3° | 120.0° |
| N7 | C8 | C9 | H8A | 120.3° | 120.0° |
| N7 | C8 | C9 | N10 | 144.4° | 180.0° |
| N7 | C8 | C9 | O23 | 36.7° | 0.0° |
| C8 | N7 | C24 | N25 | 174.2° | 180.0° |
| C8 | N7 | C6 | C26 | 174.2° | 180.0° |
| N7 | C8 | H8B | H8A | 119.2° | 120.0° |
| C8 | N7 | C24 | H24 | 5.8° | 0.0° |
| C8 | C9 | N10 | O23 | 178.8° | 180.0° |
| C8 | C9 | N10 | C11 | 174.9° | 174.9° |
| C9 | C8 | N7 | C24 | 83.6° | 95.0° |
| C9 | C8 | H8B | H8A | 119.2° | 120.0° |
| C8 | C9 | N10 | H10 | 5.1° | 5.1° |
| C9 | N10 | C11 | H10 | 180.0° | 180.0° |
| C9 | N10 | C11 | N12 | 161.4° | 5.0° |
| C9 | N10 | C11 | C22 | 23.6° | 175.0° |
| N10 | C9 | C8 | H8B | 24.2° | 60.0° |
| N10 | C9 | C8 | H8A | 95.3° | 60.0° |
| N10 | C11 | N12 | C22 | 175.2° | 180.0° |
| N10 | C11 | N12 | N13 | 175.0° | 180.0° |
| N10 | C11 | C22 | C21 | 174.3° | 180.0° |
| C11 | N10 | C9 | O23 | 6.3° | 5.1° |
| N10 | C11 | C22 | H22 | 5.7° | 0.0° |
| C11 | N12 | N13 | C14 | 0.0° | 0.0° |
| N12 | C11 | C22 | C21 | 0.3° | 0.0° |
| N12 | C11 | C22 | H22 | 179.8° | 180.0° |
| N12 | C11 | N10 | H10 | 18.6° | 175.0° |
| N12 | N13 | C14 | C15 | 175.7° | 180.0° |
| N12 | N13 | C14 | C21 | 0.2° | 0.0° |
| N13 | N12 | C11 | C22 | 0.2° | 0.0° |
| N13 | C14 | C15 | C21 | 175.9° | 180.0° |
| N13 | C14 | C15 | C16 | 22.5° | 0.1° |
| N13 | C14 | C21 | C22 | 0.2° | 0.0° |
| N13 | C14 | C15 | C20 | 155.4° | 179.7° |
| N13 | C14 | C21 | H21 | 179.8° | 180.0° |
| C14 | C15 | C16 | C20 | 178.0° | 179.8° |
| C14 | C15 | C16 | C17 | 177.9° | 179.7° |
| C14 | C15 | C20 | C19 | 178.0° | 179.7° |
| C15 | C14 | C21 | C22 | 175.5° | 180.0° |
| C14 | C15 | C20 | H20 | 2.0° | 0.2° |
| C15 | C14 | C21 | H21 | 4.5° | 0.0° |
| C14 | C15 | C16 | H16 | 2.1° | 0.2° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C16 | C15 | C20 | C19 | 0.0° | 0.0° |
| C16 | C15 | C14 | C21 | 161.6° | 180.0° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| C16 | C15 | C20 | H20 | 179.9° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C17 | C16 | C15 | C20 | 0.0° | 0.1° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C18 | C17 | C16 | H16 | 179.9° | 180.0° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C15 | 0.0° | 0.0° |
| C19 | C18 | C17 | H17 | 179.9° | 180.0° |
| C18 | C19 | C20 | H20 | 179.9° | 179.9° |
| C19 | C20 | C15 | H20 | 180.0° | 179.9° |
| C20 | C19 | C18 | H18 | 180.0° | 179.9° |
| C14 | C21 | C22 | H21 | 180.0° | 180.0° |
| C14 | C21 | C22 | C11 | 0.1° | 0.0° |
| C21 | C14 | C15 | C20 | 20.5° | 0.3° |
| C14 | C21 | C22 | H22 | 179.9° | 180.0° |
| C21 | C22 | C11 | H22 | 180.0° | 179.9° |
| O23 | C9 | C8 | H8B | 157.0° | 120.0° |
| O23 | C9 | C8 | H8A | 83.6° | 120.0° |
| O23 | C9 | N10 | H10 | 173.7° | 174.9° |
| N7 | C24 | N25 | H24 | 180.0° | 180.0° |
| C24 | N7 | C6 | C26 | 0.2° | 0.0° |
| N7 | C24 | N25 | C26 | 0.0° | 0.0° |
| C24 | N7 | C8 | H8B | 156.1° | 145.0° |
| C24 | N7 | C8 | H8A | 36.7° | 25.0° |
| C24 | N25 | C26 | C6 | 0.1° | 0.0° |
| C24 | N25 | C26 | N27 | 179.3° | 180.0° |
| C6 | C26 | N27 | N25 | 179.1° | 180.0° |
| C6 | C26 | N27 | C28 | 176.5° | 180.0° |
| C26 | C6 | C5 | O29 | 178.4° | 180.0° |
| C6 | C26 | N27 | C2 | 2.0° | 0.3° |
| C26 | N27 | C28 | C2 | 178.5° | 179.7° |
| C26 | N27 | C28 | H28C | 180.0° | 90.0° |
| C26 | N27 | C28 | H28B | 60.0° | 150.0° |
| C26 | N27 | C28 | H28A | 60.0° | 30.0° |
| C28 | N27 | C26 | N25 | 4.4° | 0.0° |
| N27 | C28 | H28C | H28B | 120.0° | 120.1° |
| N27 | C28 | H28C | H28A | 120.0° | 120.0° |
| N27 | C28 | H28B | H28A | 120.0° | 120.0° |
| C2 | N27 | C26 | N25 | 177.1° | 179.7° |
| C2 | N27 | C28 | H28C | 1.5° | 89.7° |
| C2 | N27 | C28 | H28B | 121.5° | 30.3° |
| C2 | N27 | C28 | H28A | 118.5° | 150.3° |
| C11 | C22 | C21 | H21 | 180.0° | 180.0° |
| C22 | C11 | N10 | H10 | 156.4° | 5.1° |
| C20 | C15 | C16 | H16 | 180.0° | 180.0° |
| C15 | C20 | C19 | H19 | 179.9° | 180.0° |
| C26 | N25 | C24 | H24 | 180.0° | 180.0° |
| H4C | C4 | H4B | H4A | 119.9° | 120.0° |
| H17 | C17 | C16 | H16 | 0.1° | 0.1° |
| H17 | C17 | C18 | H18 | 0.1° | 0.1° |
| H20 | C20 | C19 | H19 | 0.1° | 0.0° |
| H21 | C21 | C22 | H22 | 0.0° | 0.0° |
| H28C | C28 | H28B | H28A | 120.0° | 119.9° |
| H18 | C18 | C19 | H19 | 0.0° | 0.0° |
