IG9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| C1 | C5 | sing | 1.48Å | 1.49Å | |
| C2 | C3 | sing | 1.47Å | 1.49Å | |
| C2 | N8 | sing | 1.36Å | 1.38Å | Aromatic |
| C3 | N12 | sing | 1.35Å | 1.33Å | |
| C3 | O18 | doub | 1.22Å | 1.21Å | |
| N4 | C11 | sing | 1.40Å | 1.41Å | |
| N4 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| N4 | C14 | sing | 1.36Å | 1.36Å | Aromatic |
| C5 | O19 | doub | 1.22Å | 1.21Å | |
| C5 | N16 | sing | 1.35Å | 1.33Å | |
| N6 | C7 | sing | 1.34Å | 1.35Å | Aromatic |
| N6 | C14 | doub | 1.31Å | 1.30Å | Aromatic |
| C7 | C15 | doub | 1.35Å | 1.36Å | Aromatic |
| C7 | N12 | sing | 1.40Å | 1.41Å | |
| N8 | N9 | sing | 1.40Å | 1.37Å | Aromatic |
| N8 | C26 | sing | 1.47Å | 1.47Å | |
| N9 | C10 | doub | 1.31Å | 1.29Å | Aromatic |
| C11 | N13 | doub | 1.32Å | 1.31Å | Aromatic |
| C11 | C20 | sing | 1.40Å | 1.43Å | Aromatic |
| N13 | C17 | sing | 1.34Å | 1.31Å | Aromatic |
| N16 | C24 | sing | 1.48Å | 1.48Å | |
| N16 | C25 | sing | 1.48Å | 1.48Å | |
| C17 | C27 | doub | 1.41Å | 1.41Å | Aromatic |
| C17 | C21 | sing | 1.42Å | 1.44Å | Aromatic |
| C20 | C22 | doub | 1.36Å | 1.37Å | Aromatic |
| C21 | C28 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.42Å | Aromatic |
| C23 | C24 | sing | 1.54Å | 1.55Å | |
| C23 | C25 | sing | 1.54Å | 1.55Å | |
| C27 | C29 | sing | 1.36Å | 1.37Å | Aromatic |
| C28 | C30 | sing | 1.36Å | 1.37Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C28 | H15 | sing | 1.08Å | 1.08Å | |
| N12 | H16 | sing | 0.97Å | 1.00Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C10 | 106.7° | 107.2° |
| C2 | C1 | C5 | 130.5° | 126.4° |
| C1 | C2 | C3 | 128.2° | 126.5° |
| C1 | C2 | N8 | 105.7° | 107.0° |
| C10 | C1 | C5 | 122.7° | 126.4° |
| C1 | C10 | N9 | 109.6° | 108.5° |
| C1 | C10 | H1 | 125.2° | 125.7° |
| C1 | C5 | O19 | 123.3° | 120.0° |
| C1 | C5 | N16 | 119.4° | 120.0° |
| C3 | C2 | N8 | 126.0° | 126.5° |
| C2 | C3 | N12 | 120.3° | 120.0° |
| C2 | C3 | O18 | 120.2° | 120.0° |
| C2 | N8 | N9 | 108.9° | 108.2° |
| C2 | N8 | C26 | 127.5° | 125.9° |
| N12 | C3 | O18 | 119.6° | 120.0° |
| C3 | N12 | C7 | 123.7° | 120.0° |
| C3 | N12 | H16 | 118.1° | 120.0° |
| C11 | N4 | C15 | 131.2° | 126.5° |
| C11 | N4 | C14 | 120.9° | 126.5° |
| N4 | C11 | N13 | 117.0° | 119.2° |
| N4 | C11 | C20 | 120.4° | 119.2° |
| C15 | N4 | C14 | 107.6° | 107.0° |
| N4 | C15 | C7 | 105.7° | 106.7° |
| N4 | C15 | H2 | 127.2° | 126.6° |
| N4 | C14 | N6 | 108.3° | 108.7° |
| N4 | C14 | H17 | 125.8° | 125.6° |
| O19 | C5 | N16 | 117.3° | 120.0° |
| C5 | N16 | C24 | 133.2° | 134.5° |
| C5 | N16 | C25 | 134.6° | 134.5° |
| C7 | N6 | C14 | 110.6° | 109.4° |
| N6 | C7 | C15 | 107.8° | 108.1° |
| N6 | C7 | N12 | 120.1° | 126.0° |
| N6 | C14 | H17 | 125.8° | 125.7° |
| C15 | C7 | N12 | 132.1° | 125.9° |
| C7 | C15 | H2 | 127.2° | 126.6° |
| C7 | N12 | H16 | 118.1° | 120.0° |
| N9 | N8 | C26 | 123.3° | 125.9° |
| N8 | N9 | C10 | 109.0° | 109.1° |
| N8 | C26 | H11 | 109.5° | 109.5° |
| N8 | C26 | H12 | 109.5° | 109.4° |
| N8 | C26 | H13 | 109.5° | 109.5° |
| N9 | C10 | H1 | 125.2° | 125.7° |
| N13 | C11 | C20 | 122.0° | 121.6° |
| C11 | N13 | C17 | 120.5° | 121.3° |
| C11 | C20 | C22 | 120.8° | 119.9° |
| C11 | C20 | H3 | 119.6° | 120.0° |
| N13 | C17 | C27 | 118.6° | 121.0° |
| N13 | C17 | C21 | 120.5° | 119.9° |
| C24 | N16 | C25 | 92.1° | 91.0° |
| N16 | C24 | C23 | 87.4° | 86.1° |
| N16 | C24 | H7 | 114.7° | 113.8° |
| N16 | C24 | H8 | 114.7° | 113.9° |
| N16 | C25 | C23 | 87.1° | 86.1° |
| N16 | C25 | H9 | 114.7° | 113.7° |
| N16 | C25 | H10 | 114.7° | 113.9° |
| C27 | C17 | C21 | 120.8° | 119.1° |
| C17 | C27 | C29 | 119.7° | 119.7° |
| C17 | C27 | H14 | 120.1° | 120.1° |
| C17 | C21 | C28 | 117.4° | 119.6° |
| C17 | C21 | C22 | 120.8° | 119.1° |
| C20 | C22 | C21 | 115.2° | 118.2° |
| C22 | C20 | H3 | 119.6° | 120.0° |
| C20 | C22 | H4 | 122.4° | 121.0° |
| C28 | C21 | C22 | 121.8° | 121.3° |
| C21 | C28 | C30 | 120.4° | 119.6° |
| C21 | C28 | H15 | 119.8° | 120.1° |
| C21 | C22 | H4 | 122.4° | 120.8° |
| C24 | C23 | C25 | 86.5° | 86.3° |
| C24 | C23 | H5 | 114.9° | 113.8° |
| C24 | C23 | H6 | 114.9° | 113.7° |
| C23 | C24 | H7 | 114.7° | 113.8° |
| C23 | C24 | H8 | 114.7° | 113.8° |
| C25 | C23 | H5 | 114.8° | 113.7° |
| C25 | C23 | H6 | 114.8° | 113.8° |
| C23 | C25 | H9 | 114.7° | 113.8° |
| C23 | C25 | H10 | 114.7° | 113.8° |
| C27 | C29 | C30 | 120.0° | 121.1° |
| C29 | C27 | H14 | 120.2° | 120.2° |
| C27 | C29 | H18 | 120.0° | 119.4° |
| C28 | C30 | C29 | 121.6° | 120.9° |
| C30 | C28 | H15 | 119.8° | 120.2° |
| C28 | C30 | H19 | 119.2° | 119.6° |
| C30 | C29 | H18 | 120.0° | 119.5° |
| C29 | C30 | H19 | 119.2° | 119.6° |
| H5 | C23 | H6 | 109.5° | 113.0° |
| H7 | C24 | H8 | 109.5° | 112.9° |
| H9 | C25 | H10 | 109.5° | 113.0° |
| H11 | C26 | H12 | 109.4° | 109.5° |
| H11 | C26 | H13 | 109.5° | 109.5° |
| H12 | C26 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C10 | C5 | 178.1° | 180.0° |
| C1 | C2 | C3 | N8 | 179.0° | 180.0° |
| C1 | C2 | C3 | N12 | 36.1° | 99.9° |
| C1 | C2 | C3 | O18 | 144.9° | 80.1° |
| C2 | C1 | C5 | O19 | 39.6° | 0.0° |
| C2 | C1 | C5 | N16 | 142.6° | 180.0° |
| C1 | C2 | N8 | N9 | 0.4° | 0.2° |
| C1 | C2 | N8 | C26 | 173.6° | 180.0° |
| C2 | C1 | C10 | N9 | 0.1° | 0.2° |
| C2 | C1 | C10 | H1 | 179.9° | 179.9° |
| C10 | C1 | C2 | C3 | 179.0° | 180.0° |
| C10 | C1 | C2 | N8 | 0.2° | 0.0° |
| C10 | C1 | C5 | O19 | 138.0° | 180.0° |
| C10 | C1 | C5 | N16 | 39.8° | 0.1° |
| C1 | C10 | N9 | N8 | 0.4° | 0.4° |
| C1 | C10 | N9 | H1 | 180.0° | 179.7° |
| C5 | C1 | C2 | C3 | 1.0° | 0.1° |
| C5 | C1 | C2 | N8 | 178.1° | 180.0° |
| C1 | C5 | O19 | N16 | 177.8° | 180.0° |
| C5 | C1 | C10 | N9 | 178.0° | 179.8° |
| C1 | C5 | N16 | C24 | 179.7° | 180.0° |
| C1 | C5 | N16 | C25 | 4.5° | 0.0° |
| C5 | C1 | C10 | H1 | 2.0° | 0.1° |
| C2 | C3 | N12 | O18 | 179.0° | 180.0° |
| C2 | C3 | N12 | C7 | 178.4° | 174.9° |
| C3 | C2 | N8 | N9 | 178.7° | 179.7° |
| C3 | C2 | N8 | C26 | 7.2° | 0.0° |
| C2 | C3 | N12 | H16 | 1.6° | 5.2° |
| N8 | C2 | C3 | N12 | 142.9° | 80.1° |
| N8 | C2 | C3 | O18 | 36.1° | 100.0° |
| C2 | N8 | N9 | C26 | 174.3° | 179.8° |
| C2 | N8 | N9 | C10 | 0.5° | 0.4° |
| C2 | N8 | C26 | H11 | 173.2° | 85.0° |
| C2 | N8 | C26 | H12 | 53.2° | 155.0° |
| C2 | N8 | C26 | H13 | 66.8° | 35.0° |
| C3 | N12 | C7 | N6 | 171.1° | 180.0° |
| C3 | N12 | C7 | C15 | 7.0° | 0.1° |
| C3 | N12 | C7 | H16 | 180.0° | 179.9° |
| O18 | C3 | N12 | C7 | 0.6° | 5.1° |
| O18 | C3 | N12 | H16 | 179.4° | 174.8° |
| C11 | N4 | C15 | C14 | 173.6° | 180.0° |
| C11 | N4 | C14 | N6 | 176.2° | 179.9° |
| C11 | N4 | C15 | C7 | 174.6° | 179.8° |
| N4 | C11 | N13 | C20 | 171.9° | 179.8° |
| N4 | C11 | N13 | C17 | 174.1° | 179.8° |
| N4 | C11 | C20 | C22 | 175.8° | 179.7° |
| C11 | N4 | C15 | H2 | 5.4° | 0.0° |
| N4 | C11 | C20 | H3 | 4.2° | 0.2° |
| C11 | N4 | C14 | H17 | 3.8° | 0.0° |
| N4 | C15 | C7 | N6 | 0.1° | 0.2° |
| C15 | N4 | C14 | N6 | 1.9° | 0.1° |
| N4 | C15 | C7 | H2 | 180.0° | 179.8° |
| N4 | C15 | C7 | N12 | 178.4° | 179.8° |
| C15 | N4 | C11 | N13 | 11.6° | 0.0° |
| C15 | N4 | C11 | C20 | 176.3° | 179.8° |
| C15 | N4 | C14 | H17 | 178.1° | 179.9° |
| N4 | C14 | N6 | C7 | 2.0° | 0.0° |
| N4 | C14 | N6 | H17 | 180.0° | 179.9° |
| C14 | N4 | C15 | C7 | 1.1° | 0.2° |
| C14 | N4 | C11 | N13 | 161.2° | 179.9° |
| C14 | N4 | C11 | C20 | 10.8° | 0.3° |
| C14 | N4 | C15 | H2 | 178.9° | 180.0° |
| O19 | C5 | N16 | C24 | 2.4° | 0.0° |
| O19 | C5 | N16 | C25 | 177.6° | 180.0° |
| C5 | N16 | C24 | C25 | 176.6° | 180.0° |
| C5 | N16 | C24 | C23 | 156.4° | 155.4° |
| C5 | N16 | C25 | C23 | 156.4° | 155.3° |
| C5 | N16 | C24 | H7 | 87.5° | 41.0° |
| C5 | N16 | C24 | H8 | 40.4° | 90.3° |
| C5 | N16 | C25 | H9 | 40.4° | 90.3° |
| C5 | N16 | C25 | H10 | 87.6° | 41.0° |
| N6 | C7 | C15 | N12 | 178.3° | 179.9° |
| N6 | C7 | C15 | H2 | 179.9° | 180.0° |
| N6 | C7 | N12 | H16 | 8.9° | 0.1° |
| C7 | N6 | C14 | H17 | 178.0° | 179.9° |
| C14 | N6 | C7 | C15 | 1.3° | 0.1° |
| C14 | N6 | C7 | N12 | 179.8° | 179.9° |
| C15 | C7 | N12 | H16 | 173.0° | 179.8° |
| N12 | C7 | C15 | H2 | 1.6° | 0.1° |
| N8 | N9 | C10 | H1 | 179.6° | 179.9° |
| N9 | N8 | C26 | H11 | 0.0° | 94.7° |
| N9 | N8 | C26 | H12 | 120.0° | 25.2° |
| N9 | N8 | C26 | H13 | 120.0° | 145.3° |
| C26 | N8 | N9 | C10 | 173.8° | 179.8° |
| N8 | C26 | H11 | H12 | 120.0° | 120.0° |
| N8 | C26 | H11 | H13 | 120.0° | 120.0° |
| N8 | C26 | H12 | H13 | 120.0° | 120.0° |
| C11 | N13 | C17 | C27 | 178.6° | 179.9° |
| C11 | N13 | C17 | C21 | 0.6° | 0.1° |
| N13 | C11 | C20 | C22 | 4.2° | 0.1° |
| N13 | C11 | C20 | H3 | 175.8° | 180.0° |
| C20 | C11 | N13 | C17 | 2.2° | 0.0° |
| C11 | C20 | C22 | H3 | 180.0° | 179.9° |
| C11 | C20 | C22 | C21 | 3.0° | 0.1° |
| C11 | C20 | C22 | H4 | 177.0° | 180.0° |
| N13 | C17 | C27 | C21 | 178.0° | 179.9° |
| N13 | C17 | C21 | C28 | 178.4° | 180.0° |
| N13 | C17 | C21 | C22 | 1.6° | 0.0° |
| N13 | C17 | C27 | C29 | 178.7° | 180.0° |
| N13 | C17 | C27 | H14 | 1.3° | 0.1° |
| N16 | C24 | C23 | H7 | 116.0° | 114.3° |
| N16 | C24 | C23 | H8 | 116.0° | 114.5° |
| C24 | N16 | C25 | C23 | 20.1° | 24.6° |
| N16 | C24 | C23 | H5 | 135.0° | 138.0° |
| N16 | C24 | C23 | H6 | 96.7° | 90.7° |
| N16 | C24 | H7 | H8 | 130.5° | 131.8° |
| C24 | N16 | C25 | H9 | 136.1° | 89.7° |
| C24 | N16 | C25 | H10 | 95.9° | 139.0° |
| N16 | C25 | C23 | H9 | 116.0° | 114.3° |
| N16 | C25 | C23 | H10 | 116.0° | 114.4° |
| N16 | C25 | C23 | H5 | 135.0° | 138.0° |
| N16 | C25 | C23 | H6 | 96.7° | 90.7° |
| C25 | N16 | C24 | H7 | 95.8° | 139.0° |
| C25 | N16 | C24 | H8 | 136.2° | 89.7° |
| N16 | C25 | H9 | H10 | 130.7° | 131.8° |
| C27 | C17 | C21 | C28 | 0.5° | 0.1° |
| C27 | C17 | C21 | C22 | 179.5° | 179.9° |
| C17 | C27 | C29 | H14 | 180.0° | 179.9° |
| C17 | C27 | C29 | C30 | 0.2° | 0.1° |
| C17 | C27 | C29 | H18 | 179.9° | 180.0° |
| C17 | C21 | C22 | C20 | 0.3° | 0.0° |
| C17 | C21 | C28 | C22 | 180.0° | 180.0° |
| C21 | C17 | C27 | C29 | 0.8° | 0.1° |
| C17 | C21 | C28 | C30 | 0.8° | 0.0° |
| C17 | C21 | C22 | H4 | 179.7° | 180.0° |
| C21 | C17 | C27 | H14 | 179.2° | 180.0° |
| C17 | C21 | C28 | H15 | 179.3° | 180.0° |
| C20 | C22 | C21 | C28 | 179.7° | 179.9° |
| C20 | C22 | C21 | H4 | 180.0° | 180.0° |
| C21 | C28 | C30 | H15 | 180.0° | 180.0° |
| C21 | C28 | C30 | C29 | 1.7° | 0.0° |
| C28 | C21 | C22 | H4 | 0.3° | 0.0° |
| C21 | C28 | C30 | H19 | 178.3° | 180.0° |
| C22 | C21 | C28 | C30 | 179.2° | 180.0° |
| C21 | C22 | C20 | H3 | 177.0° | 180.0° |
| C22 | C21 | C28 | H15 | 0.8° | 0.0° |
| C24 | C23 | C25 | H5 | 115.8° | 114.4° |
| C24 | C23 | C25 | H6 | 115.9° | 114.3° |
| C24 | C23 | H5 | H6 | 131.0° | 131.6° |
| C23 | C24 | H7 | H8 | 130.5° | 131.6° |
| C24 | C23 | C25 | H9 | 135.1° | 90.7° |
| C24 | C23 | C25 | H10 | 96.8° | 138.0° |
| C25 | C23 | H5 | H6 | 130.9° | 131.7° |
| C25 | C23 | C24 | H7 | 96.9° | 137.9° |
| C25 | C23 | C24 | H8 | 135.2° | 90.8° |
| C23 | C25 | H9 | H10 | 130.6° | 131.7° |
| C27 | C29 | C30 | C28 | 1.4° | 0.0° |
| C27 | C29 | C30 | H18 | 180.0° | 180.0° |
| C27 | C29 | C30 | H19 | 178.6° | 180.0° |
| C28 | C30 | C29 | H19 | 180.0° | 180.0° |
| C28 | C30 | C29 | H18 | 178.6° | 180.0° |
| C30 | C29 | C27 | H14 | 179.8° | 179.9° |
| C29 | C30 | C28 | H15 | 178.3° | 179.9° |
| H3 | C20 | C22 | H4 | 3.0° | 0.0° |
| H5 | C23 | C24 | H7 | 18.9° | 107.7° |
| H5 | C23 | C24 | H8 | 109.0° | 23.5° |
| H5 | C23 | C25 | H9 | 109.0° | 23.7° |
| H5 | C23 | C25 | H10 | 19.0° | 107.6° |
| H6 | C23 | C24 | H7 | 147.3° | 23.6° |
| H6 | C23 | C24 | H8 | 19.4° | 154.8° |
| H6 | C23 | C25 | H9 | 19.3° | 155.0° |
| H6 | C23 | C25 | H10 | 147.3° | 23.7° |
| H11 | C26 | H12 | H13 | 120.0° | 120.0° |
| H14 | C27 | C29 | H18 | 0.1° | 0.1° |
| H15 | C28 | C30 | H19 | 1.7° | 0.0° |
| H18 | C29 | C30 | H19 | 1.4° | 0.0° |
