4HN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C13 | sing | 1.43Å | 1.43Å | |
| C1 | N24 | trip | 1.14Å | 1.16Å | |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C15 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.36Å | 1.38Å | Aromatic |
| C10 | C18 | doub | 1.41Å | 1.39Å | Aromatic |
| C11 | N25 | doub | 1.33Å | 1.34Å | Aromatic |
| C12 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | N25 | sing | 1.31Å | 1.34Å | Aromatic |
| C13 | C20 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C21 | sing | 1.41Å | 1.38Å | Aromatic |
| C14 | C18 | sing | 1.42Å | 1.38Å | Aromatic |
| C14 | C20 | sing | 1.41Å | 1.38Å | Aromatic |
| C15 | C17 | sing | 1.48Å | 1.46Å | |
| C16 | C21 | sing | 1.48Å | 1.46Å | |
| C17 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | N26 | sing | 1.33Å | 1.35Å | Aromatic |
| C19 | O28 | sing | 1.36Å | 1.40Å | |
| C20 | O27 | sing | 1.35Å | 1.38Å | |
| C21 | N26 | doub | 1.32Å | 1.34Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | O28 | sing | 1.43Å | 1.43Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| O27 | H27 | sing | 0.97Å | 0.95Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C1 | N24 | 178.8° | 180.0° |
| C1 | C13 | C20 | 119.2° | 120.4° |
| C1 | C13 | C21 | 122.3° | 120.3° |
| C3 | C2 | C4 | 119.4° | 120.3° |
| C2 | C3 | C9 | 119.7° | 120.3° |
| C3 | C2 | H2 | 120.3° | 119.8° |
| C2 | C3 | H3 | 120.1° | 119.8° |
| C2 | C4 | C17 | 121.8° | 119.9° |
| C4 | C2 | H2 | 120.3° | 119.9° |
| C2 | C4 | H4 | 119.1° | 120.0° |
| C3 | C9 | C19 | 120.4° | 120.0° |
| C9 | C3 | H3 | 120.1° | 119.8° |
| C3 | C9 | H9 | 119.8° | 120.0° |
| C4 | C17 | C15 | 118.4° | 120.1° |
| C4 | C17 | C19 | 118.0° | 119.7° |
| C17 | C4 | H4 | 119.1° | 120.1° |
| C7 | C5 | C15 | 120.3° | 120.0° |
| C5 | C7 | C16 | 122.1° | 120.0° |
| C7 | C5 | H5 | 119.9° | 120.0° |
| C5 | C7 | H7 | 119.0° | 120.0° |
| C5 | C15 | C6 | 118.0° | 120.0° |
| C5 | C15 | C17 | 122.7° | 120.0° |
| C15 | C5 | H5 | 119.9° | 120.0° |
| C8 | C6 | C15 | 121.4° | 120.0° |
| C6 | C8 | C16 | 121.1° | 120.0° |
| C8 | C6 | H6 | 119.3° | 120.0° |
| C6 | C8 | H8 | 119.5° | 120.0° |
| C6 | C15 | C17 | 119.3° | 120.0° |
| C15 | C6 | H6 | 119.3° | 120.0° |
| C7 | C16 | C8 | 117.2° | 120.0° |
| C7 | C16 | C21 | 122.2° | 120.0° |
| C16 | C7 | H7 | 119.0° | 120.0° |
| C8 | C16 | C21 | 120.6° | 120.0° |
| C16 | C8 | H8 | 119.5° | 120.1° |
| C9 | C19 | C17 | 120.5° | 119.8° |
| C9 | C19 | O28 | 117.6° | 120.1° |
| C19 | C9 | H9 | 119.8° | 120.0° |
| C11 | C10 | C18 | 120.1° | 118.8° |
| C10 | C11 | N25 | 124.2° | 121.9° |
| C11 | C10 | H10 | 119.9° | 120.6° |
| C10 | C11 | H11 | 117.9° | 119.0° |
| C10 | C18 | C14 | 116.5° | 117.9° |
| C10 | C18 | N26 | 121.7° | 121.6° |
| C18 | C10 | H10 | 120.0° | 120.5° |
| C11 | N25 | C12 | 114.8° | 122.6° |
| N25 | C11 | H11 | 117.9° | 119.0° |
| C14 | C12 | N25 | 125.0° | 119.9° |
| C12 | C14 | C18 | 119.4° | 118.9° |
| C12 | C14 | C20 | 122.9° | 121.9° |
| C14 | C12 | H12 | 117.5° | 120.0° |
| N25 | C12 | H12 | 117.5° | 120.0° |
| C20 | C13 | C21 | 118.5° | 119.3° |
| C13 | C20 | C14 | 120.7° | 117.8° |
| C13 | C20 | O27 | 118.4° | 121.1° |
| C13 | C21 | C16 | 122.5° | 119.3° |
| C13 | C21 | N26 | 121.1° | 121.4° |
| C18 | C14 | C20 | 117.6° | 119.3° |
| C14 | C18 | N26 | 121.8° | 120.5° |
| C14 | C20 | O27 | 120.8° | 121.0° |
| C15 | C17 | C19 | 123.6° | 120.2° |
| C16 | C21 | N26 | 116.3° | 119.3° |
| C17 | C19 | O28 | 121.8° | 120.1° |
| C18 | N26 | C21 | 120.2° | 121.7° |
| C19 | O28 | C23 | 109.9° | 117.0° |
| C20 | O27 | H27 | 109.5° | 114.0° |
| C22 | C23 | O28 | 108.4° | 109.4° |
| C23 | C22 | H221 | 109.5° | 109.5° |
| C23 | C22 | H222 | 109.5° | 109.5° |
| C23 | C22 | H223 | 109.5° | 109.5° |
| C22 | C23 | H231 | 109.8° | 109.4° |
| C22 | C23 | H232 | 109.8° | 109.4° |
| O28 | C23 | H231 | 109.8° | 109.5° |
| O28 | C23 | H232 | 109.7° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H221 | C22 | H223 | 109.5° | 109.4° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C13 | C20 | C21 | 179.2° | 179.9° |
| C1 | C13 | C20 | C14 | 179.6° | 180.0° |
| C1 | C13 | C21 | C16 | 2.2° | 0.0° |
| C1 | C13 | C20 | O27 | 0.2° | 0.1° |
| C1 | C13 | C21 | N26 | 179.6° | 180.0° |
| N24 | C1 | C13 | C20 | 98.0° | 98.3° |
| N24 | C1 | C13 | C21 | 82.8° | 81.8° |
| C3 | C2 | C4 | H2 | 180.0° | 179.6° |
| C2 | C3 | C9 | H3 | 180.0° | 180.0° |
| C3 | C2 | C4 | C17 | 0.0° | 0.1° |
| C2 | C3 | C9 | C19 | 0.3° | 0.0° |
| C3 | C2 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C9 | H9 | 179.7° | 179.9° |
| C4 | C2 | C3 | C9 | 0.9° | 0.1° |
| C2 | C4 | C17 | H4 | 180.0° | 180.0° |
| C2 | C4 | C17 | C15 | 179.7° | 180.0° |
| C2 | C4 | C17 | C19 | 2.0° | 0.0° |
| C4 | C2 | C3 | H3 | 179.1° | 180.0° |
| C3 | C9 | C19 | H9 | 180.0° | 179.9° |
| C3 | C9 | C19 | C17 | 2.3° | 0.1° |
| C3 | C9 | C19 | O28 | 178.3° | 179.9° |
| C9 | C3 | C2 | H2 | 179.2° | 179.7° |
| C4 | C17 | C15 | C5 | 131.7° | 50.0° |
| C4 | C17 | C15 | C6 | 48.3° | 130.0° |
| C4 | C17 | C19 | C9 | 3.1° | 0.0° |
| C4 | C17 | C15 | C19 | 177.6° | 180.0° |
| C4 | C17 | C19 | O28 | 179.0° | 180.0° |
| C17 | C4 | C2 | H2 | 180.0° | 179.7° |
| C7 | C5 | C15 | H5 | 180.0° | 179.8° |
| C7 | C5 | C15 | C6 | 2.2° | 0.0° |
| C5 | C7 | C16 | H7 | 180.0° | 179.9° |
| C5 | C7 | C16 | C8 | 1.9° | 0.1° |
| C7 | C5 | C15 | C17 | 177.8° | 179.9° |
| C5 | C7 | C16 | C21 | 178.2° | 180.0° |
| C5 | C15 | C6 | C8 | 1.4° | 0.0° |
| C5 | C15 | C6 | C17 | 180.0° | 180.0° |
| C15 | C5 | C7 | C16 | 0.6° | 0.1° |
| C5 | C15 | C17 | C19 | 50.8° | 130.0° |
| C15 | C5 | C7 | H7 | 179.4° | 180.0° |
| C5 | C15 | C6 | H6 | 178.6° | 180.0° |
| C8 | C6 | C15 | H6 | 180.0° | 180.0° |
| C6 | C8 | C16 | C7 | 2.7° | 0.1° |
| C6 | C8 | C16 | H8 | 180.0° | 179.9° |
| C8 | C6 | C15 | C17 | 178.6° | 180.0° |
| C6 | C8 | C16 | C21 | 177.3° | 180.0° |
| C15 | C6 | C8 | C16 | 1.1° | 0.1° |
| C6 | C15 | C17 | C19 | 129.3° | 50.0° |
| C6 | C15 | C5 | H5 | 177.7° | 179.7° |
| C15 | C6 | C8 | H8 | 178.9° | 180.0° |
| C7 | C16 | C8 | C21 | 179.9° | 179.9° |
| C7 | C16 | C21 | C13 | 123.5° | 145.1° |
| C7 | C16 | C21 | N26 | 59.0° | 35.0° |
| C16 | C7 | C5 | H5 | 179.3° | 179.7° |
| C7 | C16 | C8 | H8 | 177.3° | 180.0° |
| C8 | C16 | C21 | C13 | 56.6° | 35.1° |
| C8 | C16 | C21 | N26 | 120.9° | 144.9° |
| C8 | C16 | C7 | H7 | 178.1° | 179.9° |
| C16 | C8 | C6 | H6 | 178.9° | 179.9° |
| C9 | C19 | C17 | C15 | 179.3° | 179.9° |
| C9 | C19 | C17 | O28 | 175.8° | 180.0° |
| C9 | C19 | O28 | C23 | 88.2° | 0.0° |
| C19 | C9 | C3 | H3 | 179.7° | 179.9° |
| C11 | C10 | C18 | H10 | 180.0° | 179.8° |
| C10 | C11 | N25 | H11 | 180.0° | 180.0° |
| C10 | C11 | N25 | C12 | 0.1° | 0.1° |
| C11 | C10 | C18 | C14 | 0.1° | 0.0° |
| C11 | C10 | C18 | N26 | 178.8° | 180.0° |
| C18 | C10 | C11 | N25 | 0.3° | 0.0° |
| C10 | C18 | C14 | C12 | 0.3° | 0.0° |
| C10 | C18 | C14 | N26 | 178.9° | 180.0° |
| C10 | C18 | C14 | C20 | 179.6° | 180.0° |
| C10 | C18 | N26 | C21 | 178.8° | 179.9° |
| C18 | C10 | C11 | H11 | 179.7° | 180.0° |
| C11 | N25 | C12 | C14 | 0.3° | 0.1° |
| N25 | C11 | C10 | H10 | 179.7° | 179.8° |
| C11 | N25 | C12 | H12 | 179.7° | 180.0° |
| C14 | C12 | N25 | H12 | 180.0° | 179.9° |
| C12 | C14 | C20 | C13 | 179.0° | 180.0° |
| C12 | C14 | C18 | C20 | 179.2° | 180.0° |
| C12 | C14 | C18 | N26 | 179.2° | 180.0° |
| C12 | C14 | C20 | O27 | 0.4° | 0.1° |
| N25 | C12 | C14 | C18 | 0.5° | 0.1° |
| N25 | C12 | C14 | C20 | 179.7° | 179.9° |
| C12 | N25 | C11 | H11 | 179.9° | 179.9° |
| C13 | C20 | C14 | C18 | 0.2° | 0.0° |
| C13 | C20 | C14 | O27 | 179.4° | 179.9° |
| C20 | C13 | C21 | C16 | 177.0° | 180.0° |
| C20 | C13 | C21 | N26 | 0.4° | 0.1° |
| C13 | C20 | O27 | H27 | 180.0° | 89.9° |
| C21 | C13 | C20 | C14 | 1.2° | 0.1° |
| C13 | C21 | C16 | N26 | 177.5° | 179.9° |
| C13 | C21 | N26 | C18 | 1.3° | 0.1° |
| C21 | C13 | C20 | O27 | 179.4° | 180.0° |
| C18 | C14 | C20 | O27 | 179.6° | 179.9° |
| C14 | C18 | N26 | C21 | 2.4° | 0.0° |
| C14 | C18 | C10 | H10 | 179.9° | 179.8° |
| C18 | C14 | C12 | H12 | 179.5° | 180.0° |
| C20 | C14 | C18 | N26 | 1.6° | 0.0° |
| C20 | C14 | C12 | H12 | 0.2° | 0.0° |
| C14 | C20 | O27 | H27 | 0.6° | 90.0° |
| C15 | C17 | C19 | O28 | 3.4° | 0.0° |
| C15 | C17 | C4 | H4 | 0.3° | 0.0° |
| C17 | C15 | C5 | H5 | 2.2° | 0.3° |
| C17 | C15 | C6 | H6 | 1.4° | 0.0° |
| C16 | C21 | N26 | C18 | 178.9° | 180.0° |
| C21 | C16 | C7 | H7 | 1.8° | 0.1° |
| C21 | C16 | C8 | H8 | 2.7° | 0.1° |
| C17 | C19 | O28 | C23 | 95.8° | 180.0° |
| C19 | C17 | C4 | H4 | 178.0° | 180.0° |
| C17 | C19 | C9 | H9 | 177.7° | 180.0° |
| N26 | C18 | C10 | H10 | 1.2° | 0.2° |
| C19 | O28 | C23 | C22 | 135.2° | 180.0° |
| O28 | C19 | C9 | H9 | 1.7° | 0.0° |
| C19 | O28 | C23 | H231 | 15.4° | 60.0° |
| C19 | O28 | C23 | H232 | 104.9° | 60.0° |
| C22 | C23 | O28 | H231 | 119.8° | 120.0° |
| C22 | C23 | O28 | H232 | 119.8° | 120.0° |
| C23 | C22 | H221 | H222 | 120.0° | 120.0° |
| C23 | C22 | H221 | H223 | 120.0° | 120.0° |
| C23 | C22 | H222 | H223 | 120.0° | 120.1° |
| C22 | C23 | H231 | H232 | 120.5° | 120.0° |
| O28 | C23 | C22 | H221 | 180.0° | 180.0° |
| O28 | C23 | C22 | H222 | 60.0° | 60.0° |
| O28 | C23 | C22 | H223 | 60.0° | 60.0° |
| O28 | C23 | H231 | H232 | 120.5° | 120.1° |
| H2 | C2 | C3 | H3 | 0.9° | 0.4° |
| H2 | C2 | C4 | H4 | 0.0° | 0.3° |
| H3 | C3 | C9 | H9 | 0.2° | 0.0° |
| H5 | C5 | C7 | H7 | 0.6° | 0.3° |
| H6 | C6 | C8 | H8 | 1.1° | 0.1° |
| H10 | C10 | C11 | H11 | 0.3° | 0.2° |
| H221 | C22 | H222 | H223 | 120.0° | 119.9° |
| H221 | C22 | C23 | H231 | 60.2° | 60.0° |
| H221 | C22 | C23 | H232 | 60.2° | 60.0° |
| H222 | C22 | C23 | H231 | 59.8° | 60.0° |
| H222 | C22 | C23 | H232 | 179.8° | 180.0° |
| H223 | C22 | C23 | H231 | 179.8° | 180.0° |
| H223 | C22 | C23 | H232 | 59.8° | 59.9° |
