H9G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N13 | C9 | sing | 1.38Å | 1.44Å | |
| C9 | N8 | doub | 1.32Å | 1.33Å | Aromatic |
| C9 | N10 | sing | 1.33Å | 1.34Å | Aromatic |
| N8 | C4 | sing | 1.34Å | 1.36Å | Aromatic |
| N10 | C11 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.43Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| C11 | C5 | sing | 1.41Å | 1.36Å | Aromatic |
| C11 | N12 | sing | 1.38Å | 1.45Å | |
| C3 | C2 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| N23 | N22 | doub | 1.29Å | 1.38Å | Aromatic |
| N23 | N24 | sing | 1.28Å | 1.42Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| C2 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | O25 | sing | 1.36Å | 1.39Å | |
| N22 | N21 | sing | 1.41Å | 1.40Å | Aromatic |
| N24 | C20 | doub | 1.32Å | 1.36Å | Aromatic |
| O1 | C14 | sing | 1.36Å | 1.39Å | |
| C7 | C27 | sing | 1.52Å | 1.47Å | |
| N21 | C20 | sing | 1.36Å | 1.37Å | Aromatic |
| C19 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | C18 | sing | 1.48Å | 1.51Å | |
| O25 | C26 | sing | 1.44Å | 1.45Å | |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.55Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| N12 | H3 | sing | 0.97Å | 1.00Å | |
| N12 | H4 | sing | 0.97Å | 1.00Å | |
| N13 | H5 | sing | 0.97Å | 1.00Å | |
| N13 | H6 | sing | 0.97Å | 1.00Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| N21 | H10 | sing | 0.97Å | 1.00Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | C9 | N8 | 115.2° | 118.6° |
| N13 | C9 | N10 | 121.1° | 118.6° |
| C9 | N13 | H5 | 109.5° | 120.0° |
| C9 | N13 | H6 | 109.5° | 120.0° |
| N8 | C9 | N10 | 123.7° | 122.7° |
| C9 | N8 | C4 | 119.1° | 120.4° |
| C9 | N10 | C11 | 118.8° | 121.4° |
| N8 | C4 | C3 | 121.2° | 121.6° |
| N8 | C4 | C5 | 118.4° | 118.7° |
| N10 | C11 | C5 | 120.1° | 118.3° |
| N10 | C11 | N12 | 121.8° | 120.8° |
| C3 | C4 | C5 | 120.3° | 119.7° |
| C4 | C3 | C2 | 118.9° | 119.5° |
| C4 | C3 | H2 | 120.5° | 120.2° |
| C4 | C5 | C11 | 119.7° | 118.4° |
| C4 | C5 | C6 | 118.9° | 120.2° |
| C5 | C11 | N12 | 118.1° | 120.8° |
| C11 | C5 | C6 | 121.4° | 121.4° |
| C11 | N12 | H3 | 109.5° | 120.0° |
| C11 | N12 | H4 | 109.5° | 120.0° |
| C3 | C2 | O1 | 119.4° | 119.6° |
| C3 | C2 | C7 | 118.9° | 120.8° |
| C2 | C3 | H2 | 120.5° | 120.3° |
| C5 | C6 | C7 | 120.8° | 118.6° |
| C5 | C6 | O25 | 127.5° | 130.0° |
| N22 | N23 | N24 | 107.5° | 110.4° |
| N23 | N22 | N21 | 106.0° | 106.9° |
| N23 | N24 | C20 | 109.0° | 110.5° |
| O1 | C2 | C7 | 121.6° | 119.6° |
| C2 | O1 | C14 | 126.0° | 118.0° |
| C2 | C7 | C6 | 122.1° | 121.3° |
| C2 | C7 | C27 | 128.3° | 131.6° |
| C7 | C6 | O25 | 111.7° | 111.4° |
| C6 | C7 | C27 | 109.6° | 107.1° |
| C6 | O25 | C26 | 107.5° | 109.2° |
| N22 | N21 | C20 | 111.0° | 105.2° |
| N22 | N21 | H10 | 124.5° | 127.4° |
| N24 | C20 | N21 | 106.5° | 107.1° |
| N24 | C20 | C18 | 126.5° | 126.5° |
| O1 | C14 | C19 | 121.1° | 120.1° |
| O1 | C14 | C15 | 120.7° | 120.0° |
| C7 | C27 | C26 | 103.1° | 101.9° |
| C7 | C27 | C28 | 108.5° | 111.0° |
| C7 | C27 | H13 | 113.7° | 110.9° |
| N21 | C20 | C18 | 127.0° | 126.5° |
| C20 | N21 | H10 | 124.5° | 127.4° |
| C14 | C19 | C18 | 121.4° | 119.8° |
| C19 | C14 | C15 | 118.2° | 120.0° |
| C14 | C19 | H9 | 119.3° | 120.1° |
| C19 | C18 | C20 | 118.9° | 120.1° |
| C19 | C18 | C17 | 120.3° | 119.8° |
| C18 | C19 | H9 | 119.3° | 120.1° |
| C20 | C18 | C17 | 120.8° | 120.1° |
| O25 | C26 | C27 | 106.3° | 102.6° |
| O25 | C26 | H11 | 110.3° | 110.8° |
| O25 | C26 | H12 | 110.3° | 110.8° |
| C14 | C15 | C16 | 120.7° | 120.2° |
| C14 | C15 | H1 | 119.6° | 119.9° |
| C18 | C17 | C16 | 118.6° | 120.0° |
| C18 | C17 | H8 | 120.7° | 120.0° |
| C26 | C27 | C28 | 104.7° | 110.9° |
| C27 | C26 | H11 | 110.3° | 110.8° |
| C27 | C26 | H12 | 110.2° | 110.9° |
| C26 | C27 | H13 | 112.9° | 110.9° |
| C28 | C27 | H13 | 113.0° | 110.9° |
| C27 | C28 | H14 | 109.5° | 109.5° |
| C27 | C28 | H15 | 109.5° | 109.5° |
| C27 | C28 | H16 | 109.5° | 109.5° |
| C15 | C16 | C17 | 120.8° | 120.2° |
| C16 | C15 | H1 | 119.7° | 119.9° |
| C15 | C16 | H7 | 119.6° | 119.9° |
| C17 | C16 | H7 | 119.6° | 119.9° |
| C16 | C17 | H8 | 120.7° | 120.0° |
| H3 | N12 | H4 | 109.5° | 120.1° |
| H5 | N13 | H6 | 109.5° | 120.0° |
| H11 | C26 | H12 | 109.5° | 110.7° |
| H14 | C28 | H15 | 109.5° | 109.5° |
| H14 | C28 | H16 | 109.4° | 109.5° |
| H15 | C28 | H16 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | C9 | N8 | N10 | 177.3° | 179.2° |
| N13 | C9 | N8 | C4 | 178.2° | 180.0° |
| N13 | C9 | N10 | C11 | 179.1° | 179.7° |
| C9 | N13 | H5 | H6 | 120.0° | 179.9° |
| N8 | C9 | N10 | C11 | 3.8° | 0.5° |
| C9 | N8 | C4 | C3 | 178.2° | 179.6° |
| C9 | N8 | C4 | C5 | 3.0° | 0.4° |
| N8 | C9 | N13 | H5 | 0.0° | 0.0° |
| N8 | C9 | N13 | H6 | 120.0° | 180.0° |
| N10 | C9 | N8 | C4 | 4.6° | 0.8° |
| C9 | N10 | C11 | C5 | 1.4° | 0.0° |
| C9 | N10 | C11 | N12 | 178.2° | 179.7° |
| N10 | C9 | N13 | H5 | 177.3° | 179.2° |
| N10 | C9 | N13 | H6 | 57.3° | 0.7° |
| N8 | C4 | C3 | C5 | 178.9° | 180.0° |
| N8 | C4 | C5 | C11 | 0.8° | 0.1° |
| N8 | C4 | C3 | C2 | 179.6° | 179.8° |
| N8 | C4 | C5 | C6 | 179.7° | 179.9° |
| N8 | C4 | C3 | H2 | 0.4° | 0.1° |
| N10 | C11 | C5 | C4 | 0.1° | 0.3° |
| N10 | C11 | C5 | N12 | 179.6° | 179.7° |
| N10 | C11 | C5 | C6 | 178.9° | 179.6° |
| N10 | C11 | N12 | H3 | 0.0° | 179.7° |
| N10 | C11 | N12 | H4 | 120.0° | 0.3° |
| C3 | C4 | C5 | C11 | 179.7° | 179.9° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.4° | 0.1° |
| C4 | C3 | C2 | O1 | 179.1° | 179.9° |
| C4 | C3 | C2 | C7 | 0.5° | 0.1° |
| C4 | C5 | C11 | C6 | 178.8° | 180.0° |
| C4 | C5 | C11 | N12 | 179.5° | 180.0° |
| C5 | C4 | C3 | C2 | 0.8° | 0.2° |
| C4 | C5 | C6 | C7 | 1.8° | 0.5° |
| C4 | C5 | C6 | O25 | 178.9° | 179.3° |
| C5 | C4 | C3 | H2 | 179.2° | 179.9° |
| C11 | C5 | C6 | C7 | 179.3° | 179.5° |
| C11 | C5 | C6 | O25 | 2.2° | 0.7° |
| C5 | C11 | N12 | H3 | 179.6° | 0.0° |
| C5 | C11 | N12 | H4 | 60.4° | 180.0° |
| N12 | C11 | C5 | C6 | 0.7° | 0.0° |
| C11 | N12 | H3 | H4 | 120.0° | 180.0° |
| C3 | C2 | O1 | C7 | 178.6° | 180.0° |
| C3 | C2 | C7 | C6 | 1.0° | 0.3° |
| C3 | C2 | O1 | C14 | 109.1° | 6.3° |
| C3 | C2 | C7 | C27 | 177.4° | 179.2° |
| C5 | C6 | C7 | C2 | 1.6° | 0.6° |
| C5 | C6 | C7 | O25 | 177.5° | 179.8° |
| C5 | C6 | C7 | C27 | 177.0° | 179.0° |
| C5 | C6 | O25 | C26 | 168.3° | 161.1° |
| N22 | N23 | N24 | C20 | 1.3° | 0.4° |
| N23 | N22 | N21 | C20 | 0.7° | 0.0° |
| N23 | N22 | N21 | H10 | 179.3° | 180.0° |
| N24 | N23 | N22 | N21 | 0.4° | 0.2° |
| N23 | N24 | C20 | N21 | 1.7° | 0.4° |
| N23 | N24 | C20 | C18 | 179.0° | 179.9° |
| O1 | C2 | C7 | C6 | 179.5° | 179.6° |
| O1 | C2 | C7 | C27 | 1.2° | 0.8° |
| C2 | O1 | C14 | C19 | 23.7° | 67.9° |
| C2 | O1 | C14 | C15 | 158.8° | 112.5° |
| O1 | C2 | C3 | H2 | 0.9° | 0.0° |
| C2 | C7 | C6 | C27 | 178.6° | 179.6° |
| C2 | C7 | C6 | O25 | 179.2° | 179.2° |
| C7 | C2 | O1 | C14 | 72.3° | 173.7° |
| C2 | C7 | C27 | C26 | 170.9° | 164.3° |
| C2 | C7 | C27 | C28 | 78.4° | 77.6° |
| C7 | C2 | C3 | H2 | 179.5° | 180.0° |
| C2 | C7 | C27 | H13 | 48.2° | 46.1° |
| C7 | C6 | O25 | C26 | 9.0° | 19.1° |
| C6 | C7 | C27 | C26 | 7.6° | 15.3° |
| C6 | C7 | C27 | C28 | 103.1° | 102.8° |
| C6 | C7 | C27 | H13 | 130.3° | 133.5° |
| O25 | C6 | C7 | C27 | 0.6° | 1.2° |
| C6 | O25 | C26 | C27 | 13.5° | 27.7° |
| C6 | O25 | C26 | H11 | 133.0° | 146.1° |
| C6 | O25 | C26 | H12 | 106.0° | 90.7° |
| N22 | N21 | C20 | N24 | 1.5° | 0.3° |
| N22 | N21 | C20 | H10 | 180.0° | 180.0° |
| N22 | N21 | C20 | C18 | 179.2° | 180.0° |
| N24 | C20 | N21 | C18 | 179.3° | 179.7° |
| N24 | C20 | C18 | C19 | 123.5° | 0.6° |
| N24 | C20 | C18 | C17 | 56.0° | 179.7° |
| N24 | C20 | N21 | H10 | 178.5° | 179.8° |
| O1 | C14 | C19 | C15 | 177.6° | 179.6° |
| O1 | C14 | C19 | C18 | 177.1° | 179.8° |
| O1 | C14 | C15 | C16 | 177.7° | 180.0° |
| O1 | C14 | C15 | H1 | 2.3° | 0.1° |
| O1 | C14 | C19 | H9 | 2.9° | 0.4° |
| C7 | C27 | C26 | O25 | 12.7° | 25.2° |
| C7 | C27 | C26 | C28 | 113.5° | 118.2° |
| C7 | C27 | C26 | H13 | 123.2° | 118.1° |
| C7 | C27 | C28 | H13 | 127.1° | 123.7° |
| C7 | C27 | C26 | H11 | 132.2° | 143.5° |
| C7 | C27 | C26 | H12 | 106.9° | 93.1° |
| C7 | C27 | C28 | H14 | 180.0° | 60.0° |
| C7 | C27 | C28 | H15 | 60.0° | 180.0° |
| C7 | C27 | C28 | H16 | 60.0° | 60.0° |
| N21 | C20 | C18 | C19 | 55.7° | 179.7° |
| N21 | C20 | C18 | C17 | 124.9° | 0.0° |
| C14 | C19 | C18 | H9 | 180.0° | 179.4° |
| C14 | C19 | C18 | C20 | 179.1° | 179.7° |
| C14 | C19 | C18 | C17 | 0.4° | 0.5° |
| C19 | C14 | C15 | C16 | 0.2° | 0.4° |
| C19 | C14 | C15 | H1 | 179.8° | 179.7° |
| C19 | C18 | C20 | C17 | 179.4° | 179.8° |
| C18 | C19 | C14 | C15 | 0.4° | 0.6° |
| C19 | C18 | C17 | C16 | 0.3° | 0.3° |
| C19 | C18 | C17 | H8 | 179.7° | 179.7° |
| C20 | C18 | C17 | C16 | 179.7° | 180.0° |
| C20 | C18 | C17 | H8 | 0.3° | 0.0° |
| C20 | C18 | C19 | H9 | 1.0° | 0.3° |
| C18 | C20 | N21 | H10 | 0.8° | 0.0° |
| O25 | C26 | C27 | H11 | 119.5° | 118.3° |
| O25 | C26 | C27 | H12 | 119.5° | 118.3° |
| O25 | C26 | C27 | C28 | 100.8° | 93.0° |
| O25 | C26 | H11 | H12 | 121.5° | 123.3° |
| O25 | C26 | C27 | H13 | 135.8° | 143.3° |
| C14 | C15 | C16 | H1 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.9° | 0.1° |
| C14 | C15 | C16 | H7 | 179.1° | 180.0° |
| C15 | C14 | C19 | H9 | 179.5° | 180.0° |
| C18 | C17 | C16 | C15 | 0.9° | 0.1° |
| C18 | C17 | C16 | H8 | 180.0° | 180.0° |
| C18 | C17 | C16 | H7 | 179.1° | 179.9° |
| C17 | C18 | C19 | H9 | 179.6° | 179.9° |
| C26 | C27 | C28 | H13 | 123.3° | 123.7° |
| C27 | C26 | H11 | H12 | 121.4° | 123.5° |
| C26 | C27 | C28 | H14 | 70.4° | 52.5° |
| C26 | C27 | C28 | H15 | 169.6° | 67.5° |
| C26 | C27 | C28 | H16 | 49.6° | 172.5° |
| C28 | C27 | C26 | H11 | 18.7° | 25.3° |
| C28 | C27 | C26 | H12 | 139.7° | 148.7° |
| C27 | C28 | H14 | H15 | 120.0° | 120.0° |
| C27 | C28 | H14 | H16 | 120.0° | 120.0° |
| C27 | C28 | H15 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H7 | 180.0° | 179.9° |
| C15 | C16 | C17 | H8 | 179.1° | 179.9° |
| C17 | C16 | C15 | H1 | 179.1° | 180.0° |
| H1 | C15 | C16 | H7 | 0.9° | 0.1° |
| H7 | C16 | C17 | H8 | 0.9° | 0.0° |
| H11 | C26 | C27 | H13 | 104.6° | 98.4° |
| H12 | C26 | C27 | H13 | 16.3° | 25.0° |
| H13 | C27 | C28 | H14 | 52.9° | 176.3° |
| H13 | C27 | C28 | H15 | 67.1° | 56.3° |
| H13 | C27 | C28 | H16 | 172.9° | 63.8° |
| H14 | C28 | H15 | H16 | 119.9° | 120.0° |
