0Y4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N29 | C28 | doub | 1.31Å | 1.31Å | Aromatic |
| N29 | C25 | sing | 1.34Å | 1.37Å | Aromatic |
| C28 | N27 | sing | 1.35Å | 1.36Å | Aromatic |
| C25 | N24 | sing | 1.40Å | 1.36Å | |
| C25 | C26 | doub | 1.35Å | 1.38Å | Aromatic |
| N27 | C30 | sing | 1.47Å | 1.44Å | |
| N27 | C26 | sing | 1.37Å | 1.36Å | Aromatic |
| N24 | C15 | sing | 1.38Å | 1.38Å | |
| N21 | C20 | doub | 1.31Å | 1.33Å | Aromatic |
| N21 | N16 | sing | 1.40Å | 1.34Å | Aromatic |
| C20 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| N16 | C15 | sing | 1.37Å | 1.37Å | Aromatic |
| N16 | C17 | sing | 1.37Å | 1.37Å | Aromatic |
| C15 | C14 | doub | 1.37Å | 1.34Å | Aromatic |
| C19 | C17 | doub | 1.41Å | 1.38Å | Aromatic |
| C19 | C22 | sing | 1.43Å | 1.42Å | |
| C17 | N18 | sing | 1.33Å | 1.35Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.48Å | Aromatic |
| C22 | N23 | trip | 1.14Å | 1.16Å | |
| N18 | C13 | doub | 1.33Å | 1.31Å | Aromatic |
| C13 | N12 | sing | 1.38Å | 1.38Å | |
| N12 | C5 | sing | 1.40Å | 1.41Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C9 | sing | 1.51Å | 1.50Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | O10 | doub | 1.21Å | 1.22Å | |
| C9 | N8 | sing | 1.35Å | 1.39Å | |
| C7 | N8 | sing | 1.40Å | 1.40Å | |
| C7 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C30 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| N8 | H15 | sing | 0.97Å | 1.00Å | |
| N12 | H16 | sing | 0.97Å | 1.00Å | |
| N24 | H17 | sing | 0.97Å | 1.00Å | |
| C26 | H18 | sing | 1.08Å | 1.08Å | |
| C28 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | N29 | C25 | 105.0° | 109.3° |
| N29 | C28 | N27 | 110.7° | 108.9° |
| N29 | C28 | H19 | 124.6° | 125.5° |
| N29 | C25 | N24 | 121.7° | 126.0° |
| N29 | C25 | C26 | 111.7° | 107.9° |
| C28 | N27 | C30 | 125.3° | 126.4° |
| C28 | N27 | C26 | 109.0° | 107.2° |
| N27 | C28 | H19 | 124.6° | 125.6° |
| N24 | C25 | C26 | 126.6° | 126.0° |
| C25 | N24 | C15 | 124.1° | 120.0° |
| C25 | N24 | H17 | 117.9° | 120.0° |
| C25 | C26 | N27 | 103.6° | 106.7° |
| C25 | C26 | H18 | 128.2° | 126.7° |
| C30 | N27 | C26 | 125.7° | 126.4° |
| N27 | C30 | H10 | 109.5° | 109.5° |
| N27 | C30 | H11 | 109.5° | 109.5° |
| N27 | C30 | H12 | 109.5° | 109.5° |
| N27 | C26 | H18 | 128.2° | 126.6° |
| N24 | C15 | N16 | 115.5° | 120.5° |
| N24 | C15 | C14 | 125.7° | 120.5° |
| C15 | N24 | H17 | 117.9° | 120.0° |
| C20 | N21 | N16 | 106.5° | 109.6° |
| N21 | C20 | C19 | 110.4° | 108.7° |
| N21 | C20 | H9 | 124.8° | 125.6° |
| N21 | N16 | C15 | 126.9° | 132.1° |
| N21 | N16 | C17 | 111.0° | 108.1° |
| C20 | C19 | C17 | 105.3° | 106.9° |
| C20 | C19 | C22 | 127.7° | 126.5° |
| C19 | C20 | H9 | 124.8° | 125.6° |
| C15 | N16 | C17 | 122.1° | 119.8° |
| N16 | C15 | C14 | 118.8° | 119.1° |
| N16 | C17 | C19 | 106.8° | 106.7° |
| N16 | C17 | N18 | 121.1° | 120.9° |
| C15 | C14 | C13 | 117.2° | 119.2° |
| C15 | C14 | H8 | 121.4° | 120.4° |
| C17 | C19 | C22 | 127.0° | 126.6° |
| C19 | C17 | N18 | 132.1° | 132.4° |
| C19 | C22 | N23 | 179.3° | 180.0° |
| C17 | N18 | C13 | 118.2° | 120.9° |
| C14 | C13 | N18 | 122.5° | 120.1° |
| C14 | C13 | N12 | 112.6° | 120.0° |
| C13 | C14 | H8 | 121.4° | 120.3° |
| N18 | C13 | N12 | 124.9° | 119.9° |
| C13 | N12 | C5 | 127.0° | 120.0° |
| C13 | N12 | H16 | 116.5° | 120.0° |
| N12 | C5 | C6 | 123.4° | 120.0° |
| N12 | C5 | C4 | 118.8° | 120.1° |
| C5 | N12 | H16 | 116.5° | 120.0° |
| C6 | C5 | C4 | 117.8° | 119.9° |
| C5 | C6 | C7 | 121.7° | 119.9° |
| C5 | C6 | H14 | 119.2° | 120.1° |
| C5 | C4 | C3 | 120.9° | 120.1° |
| C5 | C4 | H13 | 119.5° | 119.9° |
| C6 | C7 | N8 | 117.1° | 120.0° |
| C6 | C7 | C2 | 120.5° | 119.9° |
| C7 | C6 | H14 | 119.2° | 120.0° |
| C11 | C9 | O10 | 119.3° | 120.0° |
| C11 | C9 | N8 | 118.6° | 120.0° |
| C9 | C11 | H5 | 109.5° | 109.5° |
| C9 | C11 | H6 | 109.4° | 109.5° |
| C9 | C11 | H7 | 109.5° | 109.5° |
| C4 | C3 | C2 | 121.1° | 120.1° |
| C4 | C3 | H4 | 119.4° | 119.9° |
| C3 | C4 | H13 | 119.5° | 120.0° |
| O10 | C9 | N8 | 122.0° | 120.0° |
| C9 | N8 | C7 | 127.6° | 120.0° |
| C9 | N8 | H15 | 116.2° | 120.0° |
| N8 | C7 | C2 | 122.4° | 120.0° |
| C7 | N8 | H15 | 116.2° | 120.0° |
| C7 | C2 | C3 | 118.0° | 120.1° |
| C7 | C2 | C1 | 123.7° | 120.0° |
| C3 | C2 | C1 | 118.3° | 119.9° |
| C2 | C3 | H4 | 119.4° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.4° | 109.4° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H10 | C30 | H11 | 109.5° | 109.5° |
| H10 | C30 | H12 | 109.5° | 109.4° |
| H11 | C30 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N29 | C28 | N27 | H19 | 180.0° | 180.0° |
| C28 | N29 | C25 | N24 | 180.0° | 179.9° |
| C28 | N29 | C25 | C26 | 0.4° | 0.0° |
| N29 | C28 | N27 | C30 | 179.9° | 179.9° |
| N29 | C28 | N27 | C26 | 0.4° | 0.0° |
| C25 | N29 | C28 | N27 | 0.0° | 0.0° |
| N29 | C25 | N24 | C26 | 179.5° | 179.9° |
| N29 | C25 | C26 | N27 | 0.7° | 0.0° |
| N29 | C25 | N24 | C15 | 123.7° | 179.9° |
| N29 | C25 | N24 | H17 | 56.3° | 0.2° |
| N29 | C25 | C26 | H18 | 179.4° | 180.0° |
| C25 | N29 | C28 | H19 | 180.0° | 180.0° |
| C28 | N27 | C26 | C25 | 0.6° | 0.0° |
| C28 | N27 | C30 | C26 | 179.6° | 179.9° |
| C28 | N27 | C30 | H10 | 180.0° | 90.1° |
| C28 | N27 | C30 | H11 | 60.0° | 29.9° |
| C28 | N27 | C30 | H12 | 60.0° | 150.0° |
| C28 | N27 | C26 | H18 | 179.4° | 180.0° |
| N24 | C25 | C26 | N27 | 179.8° | 180.0° |
| C25 | N24 | C15 | H17 | 180.0° | 180.0° |
| C25 | N24 | C15 | N16 | 169.9° | 57.3° |
| C25 | N24 | C15 | C14 | 11.1° | 122.8° |
| N24 | C25 | C26 | H18 | 0.2° | 0.1° |
| C25 | C26 | N27 | C30 | 179.7° | 179.9° |
| C25 | C26 | N27 | H18 | 180.0° | 180.0° |
| C26 | C25 | N24 | C15 | 56.8° | 0.1° |
| C26 | C25 | N24 | H17 | 123.2° | 179.9° |
| N27 | C30 | H10 | H11 | 120.0° | 120.0° |
| N27 | C30 | H10 | H12 | 120.0° | 120.0° |
| N27 | C30 | H11 | H12 | 120.0° | 120.0° |
| C30 | N27 | C26 | H18 | 0.3° | 0.0° |
| C30 | N27 | C28 | H19 | 0.1° | 0.1° |
| C26 | N27 | C30 | H10 | 0.4° | 90.0° |
| C26 | N27 | C30 | H11 | 120.3° | 150.0° |
| C26 | N27 | C30 | H12 | 119.7° | 30.0° |
| C26 | N27 | C28 | H19 | 179.6° | 180.0° |
| N24 | C15 | N16 | N21 | 1.2° | 0.0° |
| N24 | C15 | N16 | C14 | 179.1° | 180.0° |
| N24 | C15 | N16 | C17 | 179.5° | 179.8° |
| N24 | C15 | C14 | C13 | 179.6° | 180.0° |
| N24 | C15 | C14 | H8 | 0.4° | 0.0° |
| N21 | C20 | C19 | H9 | 180.0° | 179.9° |
| C20 | N21 | N16 | C15 | 179.8° | 180.0° |
| C20 | N21 | N16 | C17 | 0.8° | 0.2° |
| N21 | C20 | C19 | C17 | 0.6° | 0.0° |
| N21 | C20 | C19 | C22 | 178.8° | 179.9° |
| N16 | N21 | C20 | C19 | 0.1° | 0.2° |
| N21 | N16 | C15 | C17 | 179.3° | 179.8° |
| N21 | N16 | C15 | C14 | 179.8° | 179.9° |
| N21 | N16 | C17 | C19 | 1.1° | 0.2° |
| N21 | N16 | C17 | N18 | 179.3° | 179.8° |
| N16 | N21 | C20 | H9 | 179.9° | 179.9° |
| C20 | C19 | C17 | N16 | 1.0° | 0.1° |
| C20 | C19 | C17 | C22 | 178.2° | 180.0° |
| C20 | C19 | C17 | N18 | 179.6° | 179.7° |
| C20 | C19 | C22 | N23 | 39.0° | 119.4° |
| C15 | N16 | C17 | C19 | 179.4° | 180.0° |
| C15 | N16 | C17 | N18 | 0.1° | 0.3° |
| N16 | C15 | C14 | C13 | 0.6° | 0.0° |
| N16 | C15 | C14 | H8 | 179.4° | 180.0° |
| N16 | C15 | N24 | H17 | 10.0° | 122.7° |
| C17 | N16 | C15 | C14 | 0.4° | 0.3° |
| N16 | C17 | C19 | N18 | 179.4° | 179.6° |
| N16 | C17 | C19 | C22 | 179.2° | 180.0° |
| N16 | C17 | N18 | C13 | 0.3° | 0.1° |
| C15 | C14 | C13 | H8 | 180.0° | 180.0° |
| C15 | C14 | C13 | N18 | 0.4° | 0.2° |
| C15 | C14 | C13 | N12 | 179.7° | 180.0° |
| C14 | C15 | N24 | H17 | 168.9° | 57.2° |
| C17 | C19 | C22 | N23 | 138.8° | 60.6° |
| C19 | C17 | N18 | C13 | 179.0° | 179.6° |
| C17 | C19 | C20 | H9 | 179.4° | 179.9° |
| C22 | C19 | C17 | N18 | 1.3° | 0.4° |
| C22 | C19 | C20 | H9 | 1.2° | 0.0° |
| C17 | N18 | C13 | C14 | 0.1° | 0.2° |
| C17 | N18 | C13 | N12 | 179.1° | 179.9° |
| C14 | C13 | N18 | N12 | 179.2° | 179.7° |
| C14 | C13 | N12 | C5 | 179.1° | 175.0° |
| C14 | C13 | N12 | H16 | 0.9° | 4.9° |
| N18 | C13 | N12 | C5 | 1.6° | 5.3° |
| N18 | C13 | C14 | H8 | 179.6° | 179.8° |
| N18 | C13 | N12 | H16 | 178.4° | 174.8° |
| C13 | N12 | C5 | H16 | 180.0° | 179.9° |
| C13 | N12 | C5 | C6 | 17.3° | 146.7° |
| C13 | N12 | C5 | C4 | 164.6° | 33.6° |
| N12 | C13 | C14 | H8 | 0.3° | 0.1° |
| N12 | C5 | C6 | C4 | 178.1° | 179.7° |
| N12 | C5 | C6 | C7 | 179.7° | 180.0° |
| N12 | C5 | C4 | C3 | 178.7° | 180.0° |
| N12 | C5 | C4 | H13 | 1.4° | 0.0° |
| N12 | C5 | C6 | H14 | 0.3° | 0.3° |
| C5 | C6 | C7 | H14 | 180.0° | 179.7° |
| C6 | C5 | C4 | C3 | 0.4° | 0.3° |
| C5 | C6 | C7 | N8 | 178.5° | 180.0° |
| C5 | C6 | C7 | C2 | 2.8° | 0.0° |
| C6 | C5 | C4 | H13 | 179.6° | 179.7° |
| C6 | C5 | N12 | H16 | 162.7° | 33.4° |
| C4 | C5 | C6 | C7 | 2.2° | 0.3° |
| C5 | C4 | C3 | H13 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.7° | 0.0° |
| C5 | C4 | C3 | H4 | 179.3° | 179.9° |
| C4 | C5 | C6 | H14 | 177.9° | 180.0° |
| C4 | C5 | N12 | H16 | 15.4° | 146.3° |
| C6 | C7 | N8 | C9 | 68.0° | 19.3° |
| C6 | C7 | N8 | C2 | 178.7° | 180.0° |
| C6 | C7 | C2 | C3 | 1.5° | 0.3° |
| C6 | C7 | C2 | C1 | 179.7° | 180.0° |
| C6 | C7 | N8 | H15 | 112.0° | 160.6° |
| C11 | C9 | O10 | N8 | 178.1° | 180.0° |
| C11 | C9 | N8 | C7 | 8.1° | 174.7° |
| C9 | C11 | H5 | H6 | 120.0° | 120.0° |
| C9 | C11 | H5 | H7 | 120.0° | 120.0° |
| C9 | C11 | H6 | H7 | 120.0° | 120.0° |
| C11 | C9 | N8 | H15 | 171.9° | 5.2° |
| C4 | C3 | C2 | C7 | 0.2° | 0.3° |
| C4 | C3 | C2 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 178.6° | 179.9° |
| O10 | C9 | N8 | C7 | 173.8° | 5.4° |
| O10 | C9 | C11 | H5 | 0.0° | 0.0° |
| O10 | C9 | C11 | H6 | 120.0° | 120.0° |
| O10 | C9 | C11 | H7 | 120.0° | 120.0° |
| O10 | C9 | N8 | H15 | 6.2° | 174.7° |
| C9 | N8 | C7 | H15 | 180.0° | 179.9° |
| C9 | N8 | C7 | C2 | 113.3° | 160.7° |
| N8 | C9 | C11 | H5 | 178.2° | 180.0° |
| N8 | C9 | C11 | H6 | 58.2° | 59.9° |
| N8 | C9 | C11 | H7 | 61.8° | 60.1° |
| N8 | C7 | C2 | C3 | 179.8° | 179.7° |
| N8 | C7 | C2 | C1 | 1.0° | 0.1° |
| N8 | C7 | C6 | H14 | 1.5° | 0.3° |
| C7 | C2 | C3 | C1 | 178.8° | 179.7° |
| C7 | C2 | C1 | H1 | 89.3° | 90.3° |
| C7 | C2 | C1 | H2 | 150.7° | 29.8° |
| C7 | C2 | C1 | H3 | 30.7° | 149.7° |
| C7 | C2 | C3 | H4 | 179.8° | 179.8° |
| C2 | C7 | C6 | H14 | 177.2° | 179.8° |
| C2 | C7 | N8 | H15 | 66.7° | 19.4° |
| C3 | C2 | C1 | H1 | 89.5° | 90.0° |
| C3 | C2 | C1 | H2 | 30.6° | 150.0° |
| C3 | C2 | C1 | H3 | 150.6° | 30.1° |
| C2 | C3 | C4 | H13 | 179.2° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | C2 | C3 | H4 | 1.4° | 0.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H13 | 0.8° | 0.1° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H10 | C30 | H11 | H12 | 120.0° | 120.0° |
