4DT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C19 | sing | 1.43Å | 1.42Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C7 | N2 | sing | 1.37Å | 1.36Å | Aromatic |
| C7 | C9 | doub | 1.41Å | 1.40Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| C3 | N1 | sing | 1.40Å | 1.42Å | |
| C2 | N1 | sing | 1.47Å | 1.49Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| N3 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
| C17 | N7 | sing | 1.47Å | 1.48Å | |
| N1 | C10 | sing | 1.39Å | 1.38Å | |
| N6 | N7 | sing | 1.40Å | 1.37Å | |
| N6 | C16 | sing | 1.38Å | 1.34Å | |
| N7 | C20 | sing | 1.39Å | 1.38Å | |
| C16 | C15 | doub | 1.34Å | 1.42Å | |
| C20 | C21 | doub | 1.35Å | 1.37Å | |
| C20 | C15 | sing | 1.47Å | 1.43Å | |
| C10 | N4 | doub | 1.33Å | 1.35Å | Aromatic |
| C10 | C23 | sing | 1.40Å | 1.43Å | Aromatic |
| N4 | C11 | sing | 1.32Å | 1.33Å | Aromatic |
| C21 | C12 | sing | 1.46Å | 1.42Å | |
| C15 | C14 | sing | 1.51Å | 1.41Å | |
| F1 | C23 | sing | 1.35Å | 1.34Å | |
| C23 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | N5 | sing | 1.40Å | 1.39Å | |
| C12 | C13 | doub | 1.34Å | 1.42Å | |
| C11 | N5 | sing | 1.39Å | 1.37Å | |
| C11 | N8 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.40Å | |
| C22 | N8 | sing | 1.33Å | 1.33Å | Aromatic |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H__4 | sing | 1.09Å | 1.10Å | |
| C2 | H__5 | sing | 1.09Å | 1.10Å | |
| C1 | H__1 | sing | 1.09Å | 1.10Å | |
| C1 | H__2 | sing | 1.09Å | 1.10Å | |
| C1 | H__3 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| N5 | H11 | sing | 0.97Å | 1.00Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| N6 | H15 | sing | 0.97Å | 1.00Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H1_7 | sing | 1.09Å | 1.10Å | |
| C17 | H1_6 | sing | 1.09Å | 1.10Å | |
| C18 | H1_8 | sing | 1.09Å | 1.10Å | |
| C18 | H1_9 | sing | 1.09Å | 1.10Å | |
| C19 | H2_0 | sing | 1.09Å | 1.10Å | |
| C19 | H2_1 | sing | 1.09Å | 1.10Å | |
| O1 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C19 | C18 | 111.9° | 109.5° |
| O1 | C19 | H2_0 | 108.8° | 109.5° |
| O1 | C19 | H2_1 | 108.8° | 109.5° |
| C19 | O1 | H22 | 109.5° | 114.0° |
| C19 | C18 | C17 | 113.5° | 109.5° |
| C19 | C18 | H1_8 | 108.4° | 109.5° |
| C19 | C18 | H1_9 | 108.4° | 109.5° |
| C18 | C19 | H2_0 | 108.9° | 109.5° |
| C18 | C19 | H2_1 | 108.9° | 109.5° |
| C5 | C6 | C7 | 117.8° | 120.0° |
| C6 | C5 | C4 | 121.5° | 120.6° |
| C5 | C6 | H8 | 121.1° | 119.9° |
| C6 | C5 | H7 | 119.2° | 119.7° |
| C6 | C7 | N2 | 134.0° | 133.7° |
| C6 | C7 | C9 | 121.9° | 119.8° |
| C7 | C6 | H8 | 121.1° | 120.0° |
| C5 | C4 | C3 | 120.0° | 120.5° |
| C4 | C5 | H7 | 119.2° | 119.7° |
| C5 | C4 | H6 | 120.0° | 119.7° |
| C18 | C17 | N7 | 111.9° | 109.5° |
| C18 | C17 | H1_7 | 108.9° | 109.5° |
| C18 | C17 | H1_6 | 108.9° | 109.5° |
| C17 | C18 | H1_8 | 108.4° | 109.5° |
| C17 | C18 | H1_9 | 108.5° | 109.5° |
| N2 | C7 | C9 | 104.0° | 106.6° |
| C7 | N2 | N3 | 113.0° | 108.1° |
| C7 | N2 | H9 | 123.5° | 126.0° |
| C7 | C9 | C3 | 120.2° | 119.5° |
| C7 | C9 | C8 | 106.8° | 107.0° |
| N2 | N3 | C8 | 106.5° | 109.7° |
| N3 | N2 | H9 | 123.5° | 125.9° |
| C4 | C3 | C9 | 118.4° | 119.6° |
| C4 | C3 | N1 | 121.3° | 120.2° |
| C3 | C4 | H6 | 120.0° | 119.8° |
| C3 | C9 | C8 | 133.0° | 133.6° |
| C9 | C3 | N1 | 120.3° | 120.2° |
| C9 | C8 | N3 | 109.7° | 108.7° |
| C9 | C8 | H10 | 125.2° | 125.7° |
| C3 | N1 | C2 | 115.8° | 120.0° |
| C3 | N1 | C10 | 122.8° | 120.0° |
| N1 | C2 | C1 | 113.2° | 109.5° |
| C2 | N1 | C10 | 121.4° | 120.0° |
| N1 | C2 | H__4 | 108.5° | 109.5° |
| N1 | C2 | H__5 | 108.5° | 109.5° |
| C1 | C2 | H__4 | 108.5° | 109.5° |
| C1 | C2 | H__5 | 108.5° | 109.5° |
| C2 | C1 | H__1 | 109.5° | 109.5° |
| C2 | C1 | H__2 | 109.5° | 109.5° |
| C2 | C1 | H__3 | 109.5° | 109.5° |
| N3 | C8 | H10 | 125.2° | 125.6° |
| C17 | N7 | N6 | 120.9° | 126.4° |
| C17 | N7 | C20 | 129.0° | 126.4° |
| N7 | C17 | H1_7 | 108.9° | 109.5° |
| N7 | C17 | H1_6 | 108.8° | 109.5° |
| N1 | C10 | N4 | 117.0° | 120.6° |
| N1 | C10 | C23 | 124.9° | 120.5° |
| N7 | N6 | C16 | 108.5° | 109.3° |
| N6 | N7 | C20 | 110.1° | 107.2° |
| N7 | N6 | H15 | 109.7° | 125.3° |
| N6 | C16 | C15 | 109.6° | 109.5° |
| C16 | N6 | H15 | 109.7° | 125.4° |
| N6 | C16 | H14 | 125.2° | 125.3° |
| N7 | C20 | C21 | 132.9° | 133.7° |
| N7 | C20 | C15 | 106.4° | 106.2° |
| C16 | C15 | C20 | 105.4° | 107.8° |
| C16 | C15 | C14 | 134.8° | 134.0° |
| C15 | C16 | H14 | 125.2° | 125.2° |
| C21 | C20 | C15 | 120.6° | 120.1° |
| C20 | C21 | C12 | 120.3° | 122.4° |
| C20 | C21 | H23 | 119.9° | 118.8° |
| C20 | C15 | C14 | 119.8° | 118.2° |
| N4 | C10 | C23 | 118.0° | 119.0° |
| C10 | N4 | C11 | 119.3° | 120.7° |
| C10 | C23 | F1 | 121.7° | 120.8° |
| C10 | C23 | C22 | 118.9° | 118.4° |
| N4 | C11 | N5 | 121.1° | 119.1° |
| N4 | C11 | N8 | 124.7° | 121.7° |
| C21 | C12 | N5 | 125.1° | 118.8° |
| C21 | C12 | C13 | 119.2° | 122.4° |
| C12 | C21 | H23 | 119.8° | 118.8° |
| C15 | C14 | C13 | 119.3° | 117.5° |
| C15 | C14 | H13 | 106.9° | 107.9° |
| C15 | C14 | H1 | 107.0° | 107.9° |
| F1 | C23 | C22 | 119.4° | 120.8° |
| C23 | C22 | N8 | 121.0° | 119.3° |
| C23 | C22 | H24 | 119.5° | 120.3° |
| N5 | C12 | C13 | 115.6° | 118.8° |
| C12 | N5 | C11 | 132.6° | 120.0° |
| C12 | N5 | H11 | 113.7° | 120.0° |
| C12 | C13 | C14 | 120.7° | 119.4° |
| C12 | C13 | H12 | 119.6° | 120.3° |
| N5 | C11 | N8 | 114.2° | 119.2° |
| C11 | N5 | H11 | 113.7° | 120.0° |
| C11 | N8 | C22 | 118.1° | 121.0° |
| C13 | C14 | H13 | 106.9° | 108.0° |
| C13 | C14 | H1 | 107.0° | 107.6° |
| C14 | C13 | H12 | 119.7° | 120.3° |
| N8 | C22 | H24 | 119.5° | 120.4° |
| H__4 | C2 | H__5 | 109.5° | 109.5° |
| H__1 | C1 | H__2 | 109.5° | 109.5° |
| H__1 | C1 | H__3 | 109.4° | 109.5° |
| H__2 | C1 | H__3 | 109.5° | 109.4° |
| H13 | C14 | H1 | 109.5° | 107.6° |
| H1_7 | C17 | H1_6 | 109.5° | 109.5° |
| H1_8 | C18 | H1_9 | 109.5° | 109.5° |
| H2_0 | C19 | H2_1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C19 | C18 | H2_0 | 120.3° | 120.0° |
| O1 | C19 | C18 | H2_1 | 120.3° | 120.0° |
| O1 | C19 | C18 | C17 | 83.3° | 180.0° |
| O1 | C19 | C18 | H1_8 | 37.3° | 60.0° |
| O1 | C19 | C18 | H1_9 | 156.1° | 60.0° |
| O1 | C19 | H2_0 | H2_1 | 118.9° | 120.0° |
| C19 | C18 | C17 | H1_8 | 120.6° | 120.0° |
| C19 | C18 | C17 | H1_9 | 120.6° | 120.0° |
| C19 | C18 | C17 | N7 | 172.4° | 180.0° |
| C19 | C18 | C17 | H1_7 | 52.0° | 60.0° |
| C19 | C18 | C17 | H1_6 | 67.3° | 60.0° |
| C19 | C18 | H1_8 | H1_9 | 118.1° | 120.0° |
| C18 | C19 | H2_0 | H2_1 | 118.9° | 120.0° |
| C18 | C19 | O1 | H22 | 180.0° | 180.0° |
| C5 | C6 | C7 | H8 | 180.0° | 179.6° |
| C6 | C5 | C4 | H7 | 180.0° | 179.8° |
| C5 | C6 | C7 | N2 | 179.5° | 179.9° |
| C5 | C6 | C7 | C9 | 0.3° | 0.1° |
| C6 | C5 | C4 | C3 | 4.2° | 0.5° |
| C6 | C5 | C4 | H6 | 175.8° | 179.9° |
| C7 | C6 | C5 | C4 | 2.3° | 0.3° |
| C6 | C7 | N2 | C9 | 179.3° | 179.8° |
| C6 | C7 | N2 | N3 | 178.0° | 179.9° |
| C6 | C7 | C9 | C3 | 1.1° | 0.1° |
| C6 | C7 | C9 | C8 | 178.9° | 179.9° |
| C6 | C7 | N2 | H9 | 2.0° | 0.2° |
| C7 | C6 | C5 | H7 | 177.7° | 179.9° |
| C5 | C4 | C3 | H6 | 180.0° | 179.6° |
| C5 | C4 | C3 | C9 | 3.4° | 0.4° |
| C5 | C4 | C3 | N1 | 176.6° | 179.8° |
| C4 | C5 | C6 | H8 | 177.7° | 179.9° |
| C18 | C17 | N7 | H1_7 | 120.4° | 120.0° |
| C18 | C17 | N7 | H1_6 | 120.4° | 120.0° |
| C18 | C17 | N7 | N6 | 84.8° | 90.0° |
| C18 | C17 | N7 | C20 | 97.3° | 90.0° |
| C18 | C17 | H1_7 | H1_6 | 118.9° | 120.0° |
| C17 | C18 | H1_8 | H1_9 | 118.2° | 120.0° |
| C17 | C18 | C19 | H2_0 | 156.3° | 60.0° |
| C17 | C18 | C19 | H2_1 | 37.0° | 60.0° |
| C7 | N2 | N3 | H9 | 180.0° | 179.9° |
| N2 | C7 | C9 | C3 | 179.6° | 179.9° |
| N2 | C7 | C9 | C8 | 0.5° | 0.0° |
| C7 | N2 | N3 | C8 | 1.6° | 0.0° |
| N2 | C7 | C6 | H8 | 0.5° | 0.4° |
| C9 | C7 | N2 | N3 | 1.3° | 0.0° |
| C7 | C9 | C3 | C4 | 0.8° | 0.2° |
| C7 | C9 | C3 | C8 | 179.9° | 180.0° |
| C7 | C9 | C3 | N1 | 179.2° | 180.0° |
| C7 | C9 | C8 | N3 | 0.4° | 0.0° |
| C7 | C9 | C8 | H10 | 179.6° | 180.0° |
| C9 | C7 | N2 | H9 | 178.7° | 179.9° |
| C9 | C7 | C6 | H8 | 179.7° | 179.7° |
| N2 | N3 | C8 | C9 | 1.2° | 0.0° |
| N2 | N3 | C8 | H10 | 178.8° | 180.0° |
| C4 | C3 | C9 | N1 | 180.0° | 179.7° |
| C4 | C3 | C9 | C8 | 179.2° | 179.7° |
| C4 | C3 | N1 | C2 | 107.8° | 90.3° |
| C4 | C3 | N1 | C10 | 69.4° | 89.8° |
| C3 | C4 | C5 | H7 | 175.8° | 179.8° |
| C9 | C3 | N1 | C2 | 72.1° | 90.0° |
| C3 | C9 | C8 | N3 | 179.5° | 180.0° |
| C9 | C3 | N1 | C10 | 110.7° | 90.0° |
| C3 | C9 | C8 | H10 | 0.5° | 0.1° |
| C9 | C3 | C4 | H6 | 176.6° | 180.0° |
| C8 | C9 | C3 | N1 | 0.8° | 0.0° |
| C9 | C8 | N3 | H10 | 180.0° | 180.0° |
| C3 | N1 | C2 | C10 | 177.2° | 179.9° |
| C3 | N1 | C2 | C1 | 119.3° | 85.5° |
| C3 | N1 | C10 | N4 | 157.7° | 174.8° |
| C3 | N1 | C10 | C23 | 19.7° | 5.3° |
| N1 | C3 | C4 | H6 | 3.4° | 0.2° |
| C3 | N1 | C2 | H__4 | 1.3° | 34.5° |
| C3 | N1 | C2 | H__5 | 120.1° | 154.5° |
| N1 | C2 | C1 | H__4 | 120.6° | 120.0° |
| N1 | C2 | C1 | H__5 | 120.5° | 120.0° |
| C2 | N1 | C10 | N4 | 19.3° | 5.1° |
| C2 | N1 | C10 | C23 | 163.3° | 174.8° |
| N1 | C2 | H__4 | H__5 | 118.2° | 120.0° |
| N1 | C2 | C1 | H__1 | 180.0° | 60.0° |
| N1 | C2 | C1 | H__2 | 60.0° | 60.0° |
| N1 | C2 | C1 | H__3 | 60.0° | 180.0° |
| C1 | C2 | N1 | C10 | 63.5° | 94.4° |
| C1 | C2 | H__4 | H__5 | 118.3° | 120.0° |
| C2 | C1 | H__1 | H__2 | 120.0° | 120.1° |
| C2 | C1 | H__1 | H__3 | 120.0° | 120.0° |
| C2 | C1 | H__2 | H__3 | 120.0° | 120.0° |
| C8 | N3 | N2 | H9 | 178.4° | 179.9° |
| C17 | N7 | N6 | C20 | 178.3° | 180.0° |
| C17 | N7 | N6 | C16 | 179.1° | 180.0° |
| C17 | N7 | C20 | C21 | 1.8° | 0.1° |
| C17 | N7 | C20 | C15 | 177.4° | 180.0° |
| C17 | N7 | N6 | H15 | 59.2° | 0.0° |
| N7 | C17 | H1_7 | H1_6 | 118.9° | 120.0° |
| N7 | C17 | C18 | H1_8 | 67.1° | 60.0° |
| N7 | C17 | C18 | H1_9 | 51.8° | 60.0° |
| N1 | C10 | N4 | C23 | 177.6° | 179.9° |
| N1 | C10 | N4 | C11 | 179.8° | 179.9° |
| N1 | C10 | C23 | F1 | 2.8° | 0.1° |
| N1 | C10 | C23 | C22 | 177.3° | 179.7° |
| C10 | N1 | C2 | H__4 | 176.0° | 145.6° |
| C10 | N1 | C2 | H__5 | 57.1° | 25.6° |
| N7 | N6 | C16 | H15 | 119.8° | 179.9° |
| N7 | N6 | C16 | C15 | 2.0° | 0.1° |
| N6 | N7 | C20 | C21 | 176.4° | 180.0° |
| N6 | N7 | C20 | C15 | 0.7° | 0.0° |
| N7 | N6 | C16 | H14 | 178.0° | 179.9° |
| N6 | N7 | C17 | H1_7 | 154.9° | 30.0° |
| N6 | N7 | C17 | H1_6 | 35.6° | 150.0° |
| C16 | N6 | N7 | C20 | 0.8° | 0.1° |
| N6 | C16 | C15 | H14 | 180.0° | 179.9° |
| N6 | C16 | C15 | C20 | 2.4° | 0.0° |
| N6 | C16 | C15 | C14 | 178.8° | 180.0° |
| N7 | C20 | C15 | C16 | 1.9° | 0.0° |
| N7 | C20 | C21 | C15 | 175.1° | 179.9° |
| N7 | C20 | C21 | C12 | 178.4° | 180.0° |
| N7 | C20 | C15 | C14 | 179.1° | 180.0° |
| N7 | C20 | C21 | H23 | 1.6° | 0.0° |
| C20 | N7 | N6 | H15 | 119.1° | 180.0° |
| C20 | N7 | C17 | H1_7 | 23.1° | 150.0° |
| C20 | N7 | C17 | H1_6 | 142.4° | 30.0° |
| C16 | C15 | C20 | C21 | 178.1° | 179.9° |
| C16 | C15 | C20 | C14 | 179.0° | 180.0° |
| C16 | C15 | C14 | C13 | 179.0° | 179.8° |
| C16 | C15 | C14 | H13 | 59.6° | 57.9° |
| C16 | C15 | C14 | H1 | 57.6° | 58.0° |
| C15 | C16 | N6 | H15 | 117.8° | 180.0° |
| C20 | C21 | C12 | H23 | 180.0° | 180.0° |
| C21 | C20 | C15 | C14 | 2.9° | 0.0° |
| C20 | C21 | C12 | N5 | 177.9° | 180.0° |
| C20 | C21 | C12 | C13 | 1.2° | 0.3° |
| C15 | C20 | C21 | C12 | 3.2° | 0.0° |
| C20 | C15 | C14 | C13 | 0.4° | 0.2° |
| C15 | C20 | C21 | H23 | 176.8° | 180.0° |
| C20 | C15 | C14 | H13 | 121.8° | 122.0° |
| C20 | C15 | C14 | H1 | 121.0° | 122.0° |
| C20 | C15 | C16 | H14 | 177.6° | 179.9° |
| N4 | C10 | C23 | F1 | 179.8° | 180.0° |
| N4 | C10 | C23 | C22 | 0.0° | 0.2° |
| C10 | N4 | C11 | N5 | 174.4° | 180.0° |
| C10 | N4 | C11 | N8 | 2.5° | 0.3° |
| C23 | C10 | N4 | C11 | 2.2° | 0.1° |
| C10 | C23 | F1 | C22 | 179.8° | 179.8° |
| C10 | C23 | C22 | N8 | 2.2° | 0.2° |
| C10 | C23 | C22 | H24 | 177.8° | 179.7° |
| N4 | C11 | N5 | C12 | 4.5° | 175.1° |
| N4 | C11 | N5 | N8 | 177.2° | 179.7° |
| N4 | C11 | N8 | C22 | 0.3° | 0.3° |
| N4 | C11 | N5 | H11 | 175.5° | 4.9° |
| C21 | C12 | N5 | C13 | 179.2° | 179.7° |
| C21 | C12 | N5 | C11 | 15.3° | 57.3° |
| C21 | C12 | C13 | C14 | 1.2° | 0.6° |
| C21 | C12 | N5 | H11 | 164.8° | 122.7° |
| C21 | C12 | C13 | H12 | 178.8° | 179.7° |
| C15 | C14 | C13 | C12 | 1.6° | 0.5° |
| C15 | C14 | C13 | H13 | 121.4° | 122.2° |
| C15 | C14 | C13 | H1 | 121.4° | 121.9° |
| C15 | C14 | H13 | H1 | 115.5° | 116.2° |
| C15 | C14 | C13 | H12 | 178.4° | 179.8° |
| C14 | C15 | C16 | H14 | 1.2° | 0.1° |
| F1 | C23 | C22 | N8 | 177.6° | 179.9° |
| F1 | C23 | C22 | H24 | 2.4° | 0.1° |
| C23 | C22 | N8 | C11 | 2.1° | 0.0° |
| C23 | C22 | N8 | H24 | 180.0° | 179.9° |
| C12 | N5 | C11 | H11 | 180.0° | 180.0° |
| C12 | N5 | C11 | N8 | 172.7° | 5.2° |
| N5 | C12 | C13 | C14 | 179.5° | 179.8° |
| N5 | C12 | C21 | H23 | 2.1° | 0.0° |
| N5 | C12 | C13 | H12 | 0.5° | 0.0° |
| C13 | C12 | N5 | C11 | 163.9° | 123.0° |
| C12 | C13 | C14 | H12 | 180.0° | 179.7° |
| C13 | C12 | N5 | H11 | 16.1° | 57.0° |
| C13 | C12 | C21 | H23 | 178.8° | 179.7° |
| C12 | C13 | C14 | H13 | 119.8° | 121.7° |
| C12 | C13 | C14 | H1 | 123.0° | 122.4° |
| N5 | C11 | N8 | C22 | 176.8° | 180.0° |
| C11 | N8 | C22 | H24 | 177.9° | 179.9° |
| N8 | C11 | N5 | H11 | 7.3° | 174.8° |
| C13 | C14 | H13 | H1 | 115.6° | 115.9° |
| H8 | C6 | C5 | H7 | 2.3° | 0.3° |
| H7 | C5 | C4 | H6 | 4.2° | 0.2° |
| H__4 | C2 | C1 | H__1 | 59.4° | 180.0° |
| H__4 | C2 | C1 | H__2 | 179.4° | 59.9° |
| H__4 | C2 | C1 | H__3 | 60.6° | 60.0° |
| H__5 | C2 | C1 | H__1 | 59.5° | 60.0° |
| H__5 | C2 | C1 | H__2 | 60.5° | 179.9° |
| H__5 | C2 | C1 | H__3 | 179.4° | 60.0° |
| H__1 | C1 | H__2 | H__3 | 120.0° | 120.0° |
| H13 | C14 | C13 | H12 | 60.2° | 58.0° |
| H1 | C14 | C13 | H12 | 57.0° | 57.9° |
| H15 | N6 | C16 | H14 | 62.2° | 0.1° |
| H1_7 | C17 | C18 | H1_8 | 172.6° | 180.0° |
| H1_7 | C17 | C18 | H1_9 | 68.6° | 60.0° |
| H1_6 | C17 | C18 | H1_8 | 53.3° | 60.0° |
| H1_6 | C17 | C18 | H1_9 | 172.1° | 180.0° |
| H1_8 | C18 | C19 | H2_0 | 83.1° | 180.0° |
| H1_8 | C18 | C19 | H2_1 | 157.6° | 60.0° |
| H1_9 | C18 | C19 | H2_0 | 35.7° | 60.0° |
| H1_9 | C18 | C19 | H2_1 | 83.6° | 180.0° |
| H2_0 | C19 | O1 | H22 | 59.6° | 60.0° |
| H2_1 | C19 | O1 | H22 | 59.6° | 60.0° |
