IMX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N14 | sing | 1.46Å | 1.46Å | |
| C1 | C15 | sing | 1.54Å | 1.54Å | |
| C1 | C18 | sing | 1.54Å | 1.55Å | |
| C2 | C3 | doub | 1.41Å | 1.37Å | Aromatic |
| C2 | C4 | sing | 1.40Å | 1.37Å | Aromatic |
| C2 | C10 | sing | 1.42Å | 1.36Å | Aromatic |
| C3 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | N8 | sing | 1.38Å | 1.35Å | Aromatic |
| C4 | C6 | doub | 1.37Å | 1.38Å | Aromatic |
| C5 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | F11 | sing | 1.35Å | 1.32Å | |
| N8 | C9 | sing | 1.38Å | 1.35Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.37Å | Aromatic |
| C9 | C12 | sing | 1.47Å | 1.45Å | |
| C12 | O13 | doub | 1.22Å | 1.21Å | |
| C12 | N14 | sing | 1.35Å | 1.38Å | |
| C15 | C16 | sing | 1.51Å | 1.48Å | |
| C16 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C23 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | O25 | doub | 1.21Å | 1.21Å | |
| C24 | O26 | sing | 1.34Å | 1.35Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | 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 | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| O26 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N14 | C1 | C15 | 112.4° | 110.9° |
| N14 | C1 | C18 | 112.6° | 110.8° |
| C1 | N14 | C12 | 122.9° | 120.0° |
| N14 | C1 | H1 | 104.0° | 110.7° |
| C1 | N14 | HN14 | 118.6° | 120.0° |
| C15 | C1 | C18 | 105.4° | 102.4° |
| C1 | C15 | C16 | 102.9° | 105.1° |
| C15 | C1 | H1 | 111.4° | 110.8° |
| C1 | C15 | H15 | 111.7° | 110.3° |
| C1 | C15 | H15A | 111.7° | 110.3° |
| C1 | C18 | C17 | 102.2° | 105.1° |
| C1 | C18 | C23 | 111.6° | 110.3° |
| C18 | C1 | H1 | 111.2° | 111.0° |
| C1 | C18 | H18 | 115.0° | 110.3° |
| C3 | C2 | C4 | 122.4° | 119.7° |
| C3 | C2 | C10 | 106.2° | 107.0° |
| C2 | C3 | C5 | 120.7° | 119.4° |
| C2 | C3 | N8 | 109.6° | 107.4° |
| C4 | C2 | C10 | 131.4° | 133.3° |
| C2 | C4 | C6 | 117.5° | 119.8° |
| C2 | C4 | H4 | 121.3° | 120.1° |
| C2 | C10 | C9 | 108.5° | 107.7° |
| C2 | C10 | H10 | 125.8° | 126.1° |
| C5 | C3 | N8 | 129.8° | 133.2° |
| C3 | C5 | C7 | 118.3° | 119.9° |
| C3 | C5 | H5 | 120.9° | 120.0° |
| C3 | N8 | C9 | 107.9° | 108.8° |
| C3 | N8 | HN8 | 126.0° | 125.6° |
| C4 | C6 | C7 | 121.4° | 120.6° |
| C4 | C6 | F11 | 119.9° | 119.7° |
| C6 | C4 | H4 | 121.3° | 120.1° |
| C5 | C7 | C6 | 119.8° | 120.6° |
| C7 | C5 | H5 | 120.8° | 120.1° |
| C5 | C7 | H7 | 120.1° | 119.7° |
| C7 | C6 | F11 | 118.8° | 119.7° |
| C6 | C7 | H7 | 120.1° | 119.6° |
| N8 | C9 | C10 | 107.8° | 109.2° |
| N8 | C9 | C12 | 124.6° | 125.4° |
| C9 | N8 | HN8 | 126.0° | 125.6° |
| C10 | C9 | C12 | 127.6° | 125.4° |
| C9 | C10 | H10 | 125.8° | 126.1° |
| C9 | C12 | O13 | 119.2° | 120.0° |
| C9 | C12 | N14 | 118.7° | 120.0° |
| O13 | C12 | N14 | 122.1° | 120.0° |
| C12 | N14 | HN14 | 118.6° | 120.0° |
| C15 | C16 | C17 | 111.8° | 109.7° |
| C15 | C16 | C19 | 126.4° | 130.4° |
| C16 | C15 | H15 | 111.7° | 110.3° |
| C16 | C15 | H15A | 111.7° | 110.3° |
| C17 | C16 | C19 | 121.8° | 119.9° |
| C16 | C17 | C18 | 110.9° | 109.8° |
| C16 | C17 | C22 | 120.7° | 119.8° |
| C16 | C19 | C20 | 118.2° | 120.2° |
| C16 | C19 | H19 | 120.9° | 119.9° |
| C18 | C17 | C22 | 128.4° | 130.3° |
| C17 | C18 | C23 | 115.2° | 110.3° |
| C17 | C18 | H18 | 111.4° | 110.3° |
| C17 | C22 | C21 | 118.5° | 120.2° |
| C17 | C22 | H22 | 120.8° | 119.9° |
| C18 | C23 | C24 | 113.0° | 109.5° |
| C23 | C18 | H18 | 102.0° | 110.4° |
| C18 | C23 | H23 | 108.3° | 109.5° |
| C18 | C23 | H23A | 108.3° | 109.5° |
| C19 | C20 | C21 | 120.6° | 119.9° |
| C20 | C19 | H19 | 120.9° | 119.9° |
| C19 | C20 | H20 | 119.7° | 120.0° |
| C20 | C21 | C22 | 120.2° | 120.0° |
| C21 | C20 | H20 | 119.7° | 120.1° |
| C20 | C21 | H21 | 119.9° | 120.0° |
| C22 | C21 | H21 | 119.9° | 120.0° |
| C21 | C22 | H22 | 120.7° | 119.9° |
| C23 | C24 | O25 | 121.0° | 120.0° |
| C23 | C24 | O26 | 121.4° | 120.0° |
| C24 | C23 | H23 | 108.3° | 109.5° |
| C24 | C23 | H23A | 108.3° | 109.5° |
| O25 | C24 | O26 | 117.6° | 120.0° |
| C24 | O26 | H26 | 109.5° | 117.0° |
| H15 | C15 | H15A | 107.2° | 110.4° |
| H23 | C23 | H23A | 110.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N14 | C1 | C15 | C18 | 122.9° | 118.3° |
| N14 | C1 | C15 | H1 | 116.3° | 123.3° |
| N14 | C1 | C18 | H1 | 116.3° | 123.4° |
| C1 | N14 | C12 | C9 | 180.0° | 180.0° |
| C1 | N14 | C12 | O13 | 0.8° | 0.0° |
| C1 | N14 | C12 | HN14 | 180.0° | 179.9° |
| N14 | C1 | C15 | C16 | 147.6° | 91.9° |
| N14 | C1 | C18 | C17 | 147.8° | 91.9° |
| N14 | C1 | C18 | C23 | 88.6° | 149.2° |
| N14 | C1 | C15 | H15 | 27.5° | 27.0° |
| N14 | C1 | C15 | H15A | 92.5° | 149.2° |
| N14 | C1 | C18 | H18 | 26.9° | 27.0° |
| C15 | C1 | C18 | H1 | 120.8° | 118.3° |
| C15 | C1 | N14 | C12 | 51.9° | 86.4° |
| C1 | C15 | C16 | H15 | 120.0° | 118.9° |
| C1 | C15 | C16 | H15A | 120.0° | 118.9° |
| C1 | C15 | C16 | C17 | 15.2° | 17.2° |
| C1 | C15 | C16 | C19 | 164.0° | 162.8° |
| C15 | C1 | C18 | C17 | 24.9° | 26.4° |
| C15 | C1 | C18 | C23 | 148.5° | 92.5° |
| C15 | C1 | N14 | HN14 | 128.1° | 93.5° |
| C1 | C15 | H15 | H15A | 122.6° | 122.1° |
| C15 | C1 | C18 | H18 | 95.9° | 145.3° |
| C18 | C1 | N14 | C12 | 170.7° | 160.6° |
| C18 | C1 | C15 | C16 | 24.6° | 26.4° |
| C1 | C18 | C17 | C16 | 16.5° | 17.2° |
| C1 | C18 | C17 | C23 | 121.1° | 118.9° |
| C1 | C18 | C17 | H18 | 123.3° | 118.9° |
| C1 | C18 | C17 | C22 | 164.8° | 162.8° |
| C1 | C18 | C23 | H18 | 123.3° | 122.2° |
| C1 | C18 | C23 | C24 | 83.5° | 175.0° |
| C18 | C1 | N14 | HN14 | 9.3° | 19.5° |
| C18 | C1 | C15 | H15 | 95.4° | 145.3° |
| C18 | C1 | C15 | H15A | 144.6° | 92.5° |
| C1 | C18 | C23 | H23 | 156.5° | 64.9° |
| C1 | C18 | C23 | H23A | 36.5° | 55.0° |
| C3 | C2 | C4 | C10 | 179.9° | 179.7° |
| C2 | C3 | C5 | N8 | 179.4° | 180.0° |
| C3 | C2 | C4 | C6 | 0.1° | 0.0° |
| C2 | C3 | C5 | C7 | 0.1° | 0.0° |
| C2 | C3 | N8 | C9 | 0.4° | 0.0° |
| C3 | C2 | C10 | C9 | 0.1° | 0.4° |
| C3 | C2 | C4 | H4 | 179.9° | 180.0° |
| C2 | C3 | C5 | H5 | 179.9° | 180.0° |
| C2 | C3 | N8 | HN8 | 179.6° | 179.9° |
| C3 | C2 | C10 | H10 | 179.9° | 180.0° |
| C4 | C2 | C3 | C5 | 0.1° | 0.0° |
| C4 | C2 | C3 | N8 | 179.7° | 180.0° |
| C2 | C4 | C6 | H4 | 180.0° | 180.0° |
| C2 | C4 | C6 | C7 | 0.0° | 0.0° |
| C2 | C4 | C6 | F11 | 179.2° | 180.0° |
| C4 | C2 | C10 | C9 | 179.8° | 179.9° |
| C4 | C2 | C10 | H10 | 0.2° | 0.3° |
| C10 | C2 | C3 | C5 | 179.8° | 179.7° |
| C10 | C2 | C3 | N8 | 0.3° | 0.3° |
| C10 | C2 | C4 | C6 | 179.8° | 179.7° |
| C2 | C10 | C9 | N8 | 0.1° | 0.4° |
| C2 | C10 | C9 | H10 | 180.0° | 179.6° |
| C2 | C10 | C9 | C12 | 179.7° | 179.9° |
| C10 | C2 | C4 | H4 | 0.2° | 0.3° |
| C3 | C5 | C7 | H5 | 180.0° | 179.9° |
| C3 | C5 | C7 | C6 | 0.0° | 0.1° |
| C5 | C3 | N8 | C9 | 179.8° | 180.0° |
| C3 | C5 | C7 | H7 | 180.0° | 180.0° |
| C5 | C3 | N8 | HN8 | 0.1° | 0.1° |
| N8 | C3 | C5 | C7 | 179.5° | 179.9° |
| C3 | N8 | C9 | HN8 | 180.0° | 179.9° |
| C3 | N8 | C9 | C10 | 0.3° | 0.2° |
| C3 | N8 | C9 | C12 | 179.9° | 180.0° |
| N8 | C3 | C5 | H5 | 0.5° | 0.0° |
| C4 | C6 | C7 | C5 | 0.0° | 0.1° |
| C4 | C6 | C7 | F11 | 179.1° | 180.0° |
| C4 | C6 | C7 | H7 | 180.0° | 180.0° |
| C5 | C7 | C6 | H7 | 180.0° | 180.0° |
| C5 | C7 | C6 | F11 | 179.1° | 180.0° |
| C7 | C6 | C4 | H4 | 180.0° | 180.0° |
| C6 | C7 | C5 | H5 | 180.0° | 180.0° |
| F11 | C6 | C4 | H4 | 0.8° | 0.0° |
| F11 | C6 | C7 | H7 | 0.9° | 0.0° |
| N8 | C9 | C10 | C12 | 179.6° | 179.7° |
| N8 | C9 | C12 | O13 | 144.5° | 180.0° |
| N8 | C9 | C12 | N14 | 34.7° | 0.0° |
| N8 | C9 | C10 | H10 | 179.9° | 180.0° |
| C10 | C9 | C12 | O13 | 36.0° | 0.3° |
| C10 | C9 | C12 | N14 | 144.9° | 179.6° |
| C10 | C9 | N8 | HN8 | 179.7° | 179.7° |
| C9 | C12 | O13 | N14 | 179.1° | 180.0° |
| C12 | C9 | N8 | HN8 | 0.1° | 0.1° |
| C12 | C9 | C10 | H10 | 0.3° | 0.3° |
| C9 | C12 | N14 | HN14 | 0.0° | 0.1° |
| O13 | C12 | N14 | HN14 | 179.2° | 180.0° |
| C12 | N14 | C1 | H1 | 68.7° | 37.0° |
| C15 | C16 | C17 | C19 | 179.2° | 180.0° |
| C15 | C16 | C17 | C18 | 0.9° | 0.0° |
| C15 | C16 | C17 | C22 | 179.8° | 180.0° |
| C15 | C16 | C19 | C20 | 179.8° | 180.0° |
| C16 | C15 | C1 | H1 | 96.1° | 144.8° |
| C16 | C15 | H15 | H15A | 122.7° | 122.2° |
| C15 | C16 | C19 | H19 | 0.1° | 0.0° |
| C16 | C17 | C18 | C22 | 178.8° | 180.0° |
| C16 | C17 | C18 | C23 | 137.6° | 101.7° |
| C17 | C16 | C19 | C20 | 0.8° | 0.0° |
| C16 | C17 | C22 | C21 | 0.4° | 0.0° |
| C17 | C16 | C15 | H15 | 104.8° | 136.1° |
| C17 | C16 | C15 | H15A | 135.1° | 101.7° |
| C16 | C17 | C18 | H18 | 106.8° | 136.1° |
| C17 | C16 | C19 | H19 | 179.2° | 180.0° |
| C16 | C17 | C22 | H22 | 179.6° | 180.0° |
| C19 | C16 | C17 | C18 | 179.9° | 180.0° |
| C19 | C16 | C17 | C22 | 1.0° | 0.0° |
| C16 | C19 | C20 | H19 | 180.0° | 180.0° |
| C16 | C19 | C20 | C21 | 0.0° | 0.0° |
| C19 | C16 | C15 | H15 | 76.0° | 43.9° |
| C19 | C16 | C15 | H15A | 44.0° | 78.3° |
| C16 | C19 | C20 | H20 | 180.0° | 180.0° |
| C17 | C18 | C23 | H18 | 120.8° | 122.1° |
| C18 | C17 | C22 | C21 | 179.1° | 180.0° |
| C17 | C18 | C23 | C24 | 160.6° | 69.3° |
| C17 | C18 | C1 | H1 | 95.9° | 144.6° |
| C18 | C17 | C22 | H22 | 0.9° | 0.0° |
| C17 | C18 | C23 | H23 | 40.6° | 50.8° |
| C17 | C18 | C23 | H23A | 79.4° | 170.7° |
| C22 | C17 | C18 | C23 | 43.6° | 78.3° |
| C17 | C22 | C21 | C20 | 0.3° | 0.0° |
| C17 | C22 | C21 | H22 | 180.0° | 180.0° |
| C22 | C17 | C18 | H18 | 71.9° | 43.9° |
| C17 | C22 | C21 | H21 | 179.7° | 179.9° |
| C18 | C23 | C24 | H23 | 120.0° | 120.0° |
| C18 | C23 | C24 | H23A | 120.0° | 120.0° |
| C18 | C23 | C24 | O25 | 165.4° | 0.0° |
| C18 | C23 | C24 | O26 | 14.2° | 179.9° |
| C23 | C18 | C1 | H1 | 27.7° | 25.8° |
| C18 | C23 | H23 | H23A | 118.5° | 120.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.5° | 0.0° |
| C19 | C20 | C21 | H21 | 179.5° | 179.9° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C21 | C20 | C19 | H19 | 180.0° | 180.0° |
| C20 | C21 | C22 | H22 | 179.7° | 180.0° |
| C22 | C21 | C20 | H20 | 179.4° | 180.0° |
| C23 | C24 | O25 | O26 | 179.6° | 179.9° |
| C24 | C23 | C18 | H18 | 39.8° | 52.8° |
| C24 | C23 | H23 | H23A | 118.6° | 120.0° |
| C23 | C24 | O26 | H26 | 179.6° | 180.0° |
| O25 | C24 | C23 | H23 | 45.4° | 120.1° |
| O25 | C24 | C23 | H23A | 74.7° | 120.0° |
| O25 | C24 | O26 | H26 | 0.0° | 0.1° |
| O26 | C24 | C23 | H23 | 134.2° | 60.0° |
| O26 | C24 | C23 | H23A | 105.7° | 60.0° |
| H1 | C1 | N14 | HN14 | 111.3° | 143.1° |
| H1 | C1 | C15 | H15 | 143.8° | 96.3° |
| H1 | C1 | C15 | H15A | 23.8° | 25.9° |
| H1 | C1 | C18 | H18 | 143.2° | 96.5° |
| H5 | C5 | C7 | H7 | 0.0° | 0.0° |
| H18 | C18 | C23 | H23 | 80.2° | 172.9° |
| H18 | C18 | C23 | H23A | 159.8° | 67.1° |
| H19 | C19 | C20 | H20 | 0.0° | 0.0° |
| H20 | C20 | C21 | H21 | 0.6° | 0.0° |
| H21 | C21 | C22 | H22 | 0.3° | 0.1° |
