9JR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C6 | sing | 1.43Å | 1.43Å | |
| O1 | C4 | sing | 1.36Å | 1.38Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C14 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.54Å | 1.53Å | |
| C18 | N5 | sing | 1.48Å | 1.47Å | |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C21 | sing | 1.55Å | 1.52Å | |
| N5 | C17 | sing | 1.47Å | 1.47Å | |
| N5 | C20 | sing | 1.49Å | 1.47Å | |
| C4 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C4 | N2 | sing | 1.32Å | 1.36Å | Aromatic |
| N3 | C5 | sing | 1.33Å | 1.34Å | Aromatic |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C21 | C20 | sing | 1.55Å | 1.52Å | |
| C16 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C17 | sing | 1.51Å | 1.51Å | |
| C13 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| N4 | C5 | sing | 1.39Å | 1.35Å | |
| N2 | C | doub | 1.33Å | 1.35Å | Aromatic |
| C5 | C1 | doub | 1.39Å | 1.48Å | Aromatic |
| C11 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C | C1 | sing | 1.39Å | 1.48Å | Aromatic |
| C | N | sing | 1.38Å | 1.43Å | |
| C1 | N1 | sing | 1.41Å | 1.33Å | |
| C10 | N | sing | 1.47Å | 1.47Å | |
| N | C2 | sing | 1.47Å | 1.48Å | |
| N1 | C3 | sing | 1.35Å | 1.34Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C3 | O | doub | 1.21Å | 1.24Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| C7 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| N1 | H28 | sing | 0.97Å | 1.00Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å | |
| N4 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | O1 | C4 | 120.4° | 117.0° |
| O1 | C6 | C7 | 110.5° | 109.5° |
| O1 | C6 | H19 | 109.2° | 109.5° |
| O1 | C6 | H20 | 109.2° | 109.5° |
| O1 | C4 | N3 | 117.8° | 118.9° |
| O1 | C4 | N2 | 121.1° | 118.9° |
| C6 | C7 | C8 | 109.5° | 109.5° |
| C7 | C6 | H19 | 109.2° | 109.5° |
| C7 | C6 | H20 | 109.3° | 109.5° |
| C6 | C7 | H21 | 109.5° | 109.4° |
| C6 | C7 | H22 | 109.5° | 109.4° |
| C12 | C14 | C16 | 120.2° | 120.0° |
| C14 | C12 | C13 | 119.7° | 120.0° |
| C14 | C12 | H3 | 120.1° | 120.0° |
| C12 | C14 | H4 | 119.9° | 119.9° |
| C14 | C16 | C11 | 119.6° | 120.0° |
| C16 | C14 | H4 | 119.9° | 120.0° |
| C14 | C16 | H6 | 120.2° | 120.0° |
| C19 | C18 | N5 | 106.1° | 107.1° |
| C18 | C19 | C21 | 107.0° | 105.1° |
| C19 | C18 | H9 | 110.3° | 110.0° |
| C19 | C18 | H10 | 110.3° | 109.8° |
| C18 | C19 | H11 | 110.1° | 110.4° |
| C18 | C19 | H12 | 110.1° | 110.3° |
| C18 | N5 | C17 | 111.0° | 111.0° |
| C18 | N5 | C20 | 107.8° | 105.8° |
| N5 | C18 | H9 | 110.3° | 109.9° |
| N5 | C18 | H10 | 110.3° | 109.9° |
| C12 | C13 | C17 | 121.8° | 120.0° |
| C12 | C13 | C15 | 119.6° | 120.0° |
| C13 | C12 | H3 | 120.1° | 120.0° |
| C19 | C21 | C20 | 105.5° | 102.9° |
| C21 | C19 | H11 | 110.1° | 110.3° |
| C21 | C19 | H12 | 110.1° | 110.3° |
| C19 | C21 | H17 | 110.5° | 110.8° |
| C19 | C21 | H18 | 110.5° | 110.7° |
| C17 | N5 | C20 | 109.2° | 111.1° |
| N5 | C17 | C13 | 111.5° | 109.5° |
| N5 | C17 | H7 | 108.9° | 109.4° |
| N5 | C17 | H8 | 109.0° | 109.5° |
| N5 | C20 | C21 | 106.0° | 103.3° |
| N5 | C20 | H15 | 110.3° | 110.6° |
| N5 | C20 | H16 | 110.3° | 110.8° |
| N3 | C4 | N2 | 121.0° | 122.2° |
| C4 | N3 | C5 | 122.7° | 120.8° |
| C4 | N2 | C | 123.2° | 120.6° |
| N3 | C5 | N4 | 119.1° | 120.7° |
| N3 | C5 | C1 | 118.6° | 118.6° |
| C7 | C8 | C9 | 113.4° | 109.5° |
| C8 | C7 | H21 | 109.5° | 109.5° |
| C8 | C7 | H22 | 109.5° | 109.5° |
| C7 | C8 | H23 | 108.5° | 109.4° |
| C7 | C8 | H24 | 108.5° | 109.4° |
| C9 | C8 | H23 | 108.5° | 109.5° |
| C9 | C8 | H24 | 108.5° | 109.5° |
| C8 | C9 | H25 | 109.5° | 109.5° |
| C8 | C9 | H26 | 109.5° | 109.5° |
| C8 | C9 | H27 | 109.5° | 109.5° |
| C21 | C20 | H15 | 110.3° | 110.7° |
| C21 | C20 | H16 | 110.3° | 110.7° |
| C20 | C21 | H17 | 110.5° | 110.7° |
| C20 | C21 | H18 | 110.5° | 110.7° |
| C16 | C11 | C15 | 120.0° | 120.0° |
| C16 | C11 | C10 | 120.5° | 120.0° |
| C11 | C16 | H6 | 120.2° | 120.0° |
| C17 | C13 | C15 | 118.6° | 120.1° |
| C13 | C17 | H7 | 109.0° | 109.5° |
| C13 | C17 | H8 | 109.0° | 109.5° |
| C13 | C15 | C11 | 120.9° | 120.1° |
| C13 | C15 | H5 | 119.6° | 120.0° |
| N4 | C5 | C1 | 122.3° | 120.7° |
| C5 | N4 | H29 | 109.5° | 120.0° |
| C5 | N4 | H30 | 109.5° | 120.0° |
| N2 | C | C1 | 117.6° | 118.8° |
| N2 | C | N | 122.0° | 120.8° |
| C5 | C1 | C | 116.8° | 118.9° |
| C5 | C1 | N1 | 122.9° | 121.4° |
| C15 | C11 | C10 | 119.5° | 120.0° |
| C11 | C15 | H5 | 119.5° | 120.0° |
| C11 | C10 | N | 110.9° | 109.5° |
| C11 | C10 | H1 | 109.1° | 109.5° |
| C11 | C10 | H2 | 109.1° | 109.5° |
| C1 | C | N | 120.3° | 120.3° |
| C | C1 | N1 | 120.3° | 119.7° |
| C | N | C10 | 119.0° | 111.0° |
| C | N | C2 | 120.7° | 112.1° |
| C1 | N1 | C3 | 121.4° | 118.2° |
| C1 | N1 | H28 | 119.3° | 120.9° |
| C10 | N | C2 | 120.2° | 111.0° |
| N | C10 | H1 | 109.1° | 109.4° |
| N | C10 | H2 | 109.1° | 109.5° |
| N | C2 | C3 | 112.0° | 110.3° |
| N | C2 | H13 | 108.8° | 109.3° |
| N | C2 | H14 | 108.8° | 109.3° |
| N1 | C3 | C2 | 125.2° | 119.3° |
| N1 | C3 | O | 115.8° | 120.3° |
| C3 | N1 | H28 | 119.3° | 120.9° |
| C2 | C3 | O | 119.0° | 120.4° |
| C3 | C2 | H13 | 108.8° | 109.4° |
| C3 | C2 | H14 | 108.8° | 109.2° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H9 | C18 | H10 | 109.5° | 110.1° |
| H11 | C19 | H12 | 109.5° | 110.4° |
| H13 | C2 | H14 | 109.5° | 109.3° |
| H15 | C20 | H16 | 109.5° | 110.5° |
| H17 | C21 | H18 | 109.5° | 110.8° |
| H19 | C6 | H20 | 109.4° | 109.4° |
| H21 | C7 | H22 | 109.5° | 109.4° |
| H23 | C8 | H24 | 109.4° | 109.5° |
| H25 | C9 | H26 | 109.5° | 109.5° |
| H25 | C9 | H27 | 109.4° | 109.4° |
| H26 | C9 | H27 | 109.5° | 109.5° |
| H29 | N4 | H30 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C6 | C7 | H19 | 120.2° | 120.0° |
| O1 | C6 | C7 | H20 | 120.2° | 120.1° |
| C6 | O1 | C4 | N3 | 172.6° | 5.0° |
| C6 | O1 | C4 | N2 | 8.0° | 175.0° |
| O1 | C6 | C7 | C8 | 61.5° | 180.0° |
| O1 | C6 | H19 | H20 | 119.5° | 120.0° |
| O1 | C6 | C7 | H21 | 58.5° | 59.9° |
| O1 | C6 | C7 | H22 | 178.5° | 60.0° |
| C4 | O1 | C6 | C7 | 72.9° | 175.0° |
| O1 | C4 | N3 | N2 | 179.5° | 180.0° |
| O1 | C4 | N3 | C5 | 179.1° | 179.9° |
| O1 | C4 | N2 | C | 179.6° | 180.0° |
| C4 | O1 | C6 | H19 | 47.3° | 64.9° |
| C4 | O1 | C6 | H20 | 166.9° | 55.0° |
| C6 | C7 | C8 | H21 | 120.0° | 120.0° |
| C6 | C7 | C8 | H22 | 120.0° | 120.0° |
| C6 | C7 | C8 | C9 | 168.5° | 180.0° |
| C7 | C6 | H19 | H20 | 119.6° | 119.9° |
| C6 | C7 | H21 | H22 | 120.0° | 119.9° |
| C6 | C7 | C8 | H23 | 47.9° | 60.0° |
| C6 | C7 | C8 | H24 | 70.9° | 60.0° |
| C12 | C14 | C16 | H4 | 180.0° | 179.2° |
| C14 | C12 | C13 | H3 | 180.0° | 179.9° |
| C12 | C14 | C16 | C11 | 0.2° | 0.5° |
| C14 | C12 | C13 | C17 | 179.5° | 180.0° |
| C14 | C12 | C13 | C15 | 0.1° | 0.5° |
| C12 | C14 | C16 | H6 | 179.8° | 179.5° |
| C16 | C14 | C12 | C13 | 0.1° | 0.8° |
| C14 | C16 | C11 | H6 | 180.0° | 180.0° |
| C14 | C16 | C11 | C15 | 0.6° | 0.0° |
| C14 | C16 | C11 | C10 | 179.8° | 179.8° |
| C16 | C14 | C12 | H3 | 179.9° | 179.2° |
| C19 | C18 | N5 | H9 | 119.5° | 119.4° |
| C19 | C18 | N5 | H10 | 119.5° | 119.3° |
| C18 | C19 | C21 | H11 | 119.6° | 119.0° |
| C18 | C19 | C21 | H12 | 119.6° | 118.8° |
| C19 | C18 | N5 | C17 | 143.5° | 145.8° |
| C19 | C18 | N5 | C20 | 24.0° | 25.3° |
| C18 | C19 | C21 | C20 | 7.4° | 22.0° |
| C19 | C18 | H9 | H10 | 121.5° | 121.1° |
| C18 | C19 | H11 | H12 | 121.1° | 122.2° |
| C18 | C19 | C21 | H17 | 126.8° | 140.3° |
| C18 | C19 | C21 | H18 | 111.9° | 96.4° |
| N5 | C18 | C19 | C21 | 9.7° | 1.2° |
| C18 | N5 | C17 | C20 | 118.7° | 117.4° |
| C18 | N5 | C20 | C21 | 28.9° | 39.1° |
| C18 | N5 | C17 | C13 | 152.6° | 174.1° |
| C18 | N5 | C17 | H7 | 32.3° | 66.0° |
| C18 | N5 | C17 | H8 | 87.1° | 54.0° |
| N5 | C18 | H9 | H10 | 121.6° | 121.2° |
| N5 | C18 | C19 | H11 | 129.3° | 120.1° |
| N5 | C18 | C19 | H12 | 109.9° | 117.7° |
| C18 | N5 | C20 | H15 | 148.3° | 79.3° |
| C18 | N5 | C20 | H16 | 90.5° | 157.7° |
| C12 | C13 | C17 | N5 | 27.9° | 94.4° |
| C12 | C13 | C17 | C15 | 179.4° | 179.5° |
| C12 | C13 | C15 | C11 | 0.3° | 0.0° |
| C13 | C12 | C14 | H4 | 179.8° | 180.0° |
| C12 | C13 | C15 | H5 | 179.7° | 180.0° |
| C12 | C13 | C17 | H7 | 92.4° | 145.6° |
| C12 | C13 | C17 | H8 | 148.2° | 25.6° |
| C19 | C21 | C20 | N5 | 21.9° | 37.4° |
| C19 | C21 | C20 | H17 | 119.4° | 118.4° |
| C19 | C21 | C20 | H18 | 119.4° | 118.3° |
| C21 | C19 | C18 | H9 | 129.2° | 120.6° |
| C21 | C19 | C18 | H10 | 109.7° | 118.1° |
| C21 | C19 | H11 | H12 | 121.2° | 122.1° |
| C19 | C21 | C20 | H15 | 141.4° | 81.1° |
| C19 | C21 | C20 | H16 | 97.5° | 156.0° |
| C19 | C21 | H17 | H18 | 121.9° | 123.3° |
| C17 | N5 | C20 | C21 | 149.6° | 159.7° |
| N5 | C17 | C13 | H7 | 120.3° | 120.0° |
| N5 | C17 | C13 | H8 | 120.3° | 120.0° |
| N5 | C17 | C13 | C15 | 152.7° | 85.1° |
| N5 | C17 | H7 | H8 | 119.1° | 120.0° |
| C17 | N5 | C18 | H9 | 97.0° | 94.7° |
| C17 | N5 | C18 | H10 | 24.1° | 26.6° |
| C17 | N5 | C20 | H15 | 91.0° | 41.2° |
| C17 | N5 | C20 | H16 | 30.2° | 81.7° |
| N5 | C20 | C21 | H15 | 119.4° | 118.4° |
| N5 | C20 | C21 | H16 | 119.4° | 118.6° |
| C20 | N5 | C17 | C13 | 88.7° | 68.5° |
| C20 | N5 | C17 | H7 | 151.0° | 51.4° |
| C20 | N5 | C17 | H8 | 31.7° | 171.4° |
| C20 | N5 | C18 | H9 | 143.4° | 144.7° |
| C20 | N5 | C18 | H10 | 95.5° | 94.0° |
| N5 | C20 | H15 | H16 | 121.7° | 123.1° |
| N5 | C20 | C21 | H17 | 141.3° | 155.8° |
| N5 | C20 | C21 | H18 | 97.4° | 81.0° |
| C4 | N3 | C5 | N4 | 179.0° | 180.0° |
| N3 | C4 | N2 | C | 0.2° | 0.0° |
| C4 | N3 | C5 | C1 | 0.6° | 0.1° |
| N2 | C4 | N3 | C5 | 0.4° | 0.1° |
| C4 | N2 | C | C1 | 0.4° | 0.1° |
| C4 | N2 | C | N | 179.7° | 179.8° |
| N3 | C5 | N4 | C1 | 179.6° | 179.9° |
| N3 | C5 | C1 | C | 0.3° | 0.0° |
| N3 | C5 | C1 | N1 | 178.8° | 179.8° |
| N3 | C5 | N4 | H29 | 0.0° | 179.9° |
| N3 | C5 | N4 | H30 | 120.0° | 0.0° |
| C7 | C8 | C9 | H23 | 120.6° | 120.0° |
| C7 | C8 | C9 | H24 | 120.6° | 120.0° |
| C8 | C7 | C6 | H19 | 178.3° | 59.9° |
| C8 | C7 | C6 | H20 | 58.6° | 59.9° |
| C8 | C7 | H21 | H22 | 120.0° | 120.0° |
| C7 | C8 | H23 | H24 | 118.2° | 119.9° |
| C7 | C8 | C9 | H25 | 180.0° | 60.0° |
| C7 | C8 | C9 | H26 | 60.0° | 180.0° |
| C7 | C8 | C9 | H27 | 60.0° | 60.0° |
| C9 | C8 | C7 | H21 | 71.5° | 60.0° |
| C9 | C8 | C7 | H22 | 48.5° | 60.0° |
| C9 | C8 | H23 | H24 | 118.2° | 120.1° |
| C8 | C9 | H25 | H26 | 120.0° | 120.0° |
| C8 | C9 | H25 | H27 | 120.0° | 120.0° |
| C8 | C9 | H26 | H27 | 120.0° | 120.0° |
| C20 | C21 | C19 | H11 | 112.2° | 97.0° |
| C20 | C21 | C19 | H12 | 127.0° | 140.8° |
| C21 | C20 | H15 | H16 | 121.6° | 123.0° |
| C20 | C21 | H17 | H18 | 121.9° | 123.2° |
| C16 | C11 | C15 | C13 | 0.7° | 0.2° |
| C16 | C11 | C15 | C10 | 179.1° | 179.8° |
| C16 | C11 | C10 | N | 113.0° | 96.2° |
| C16 | C11 | C10 | H1 | 126.8° | 23.8° |
| C16 | C11 | C10 | H2 | 7.2° | 143.8° |
| C11 | C16 | C14 | H4 | 179.8° | 179.7° |
| C16 | C11 | C15 | H5 | 179.3° | 179.8° |
| C17 | C13 | C15 | C11 | 179.1° | 179.5° |
| C17 | C13 | C12 | H3 | 0.5° | 0.1° |
| C17 | C13 | C15 | H5 | 0.9° | 0.5° |
| C13 | C17 | H7 | H8 | 119.1° | 120.0° |
| C13 | C15 | C11 | H5 | 180.0° | 180.0° |
| C13 | C15 | C11 | C10 | 179.8° | 180.0° |
| C15 | C13 | C12 | H3 | 179.9° | 179.4° |
| C15 | C13 | C17 | H7 | 87.0° | 34.9° |
| C15 | C13 | C17 | H8 | 32.4° | 154.9° |
| N4 | C5 | C1 | C | 179.3° | 179.9° |
| N4 | C5 | C1 | N1 | 1.6° | 0.3° |
| C5 | N4 | H29 | H30 | 120.0° | 179.9° |
| N2 | C | C1 | C5 | 0.2° | 0.1° |
| N2 | C | C1 | N | 179.9° | 179.9° |
| N2 | C | C1 | N1 | 179.3° | 179.7° |
| N2 | C | N | C10 | 0.3° | 19.8° |
| N2 | C | N | C2 | 180.0° | 144.6° |
| C5 | C1 | C | N1 | 179.2° | 179.8° |
| C5 | C1 | C | N | 179.9° | 179.8° |
| C5 | C1 | N1 | C3 | 179.7° | 162.2° |
| C5 | C1 | N1 | H28 | 0.3° | 17.9° |
| C1 | C5 | N4 | H29 | 179.6° | 0.0° |
| C1 | C5 | N4 | H30 | 59.6° | 179.9° |
| C15 | C11 | C10 | N | 67.9° | 83.6° |
| C15 | C11 | C10 | H1 | 52.4° | 156.4° |
| C15 | C11 | C10 | H2 | 171.9° | 36.4° |
| C15 | C11 | C16 | H6 | 179.4° | 180.0° |
| C11 | C10 | N | C | 78.6° | 61.9° |
| C11 | C10 | N | H1 | 120.2° | 120.0° |
| C11 | C10 | N | H2 | 120.2° | 120.0° |
| C11 | C10 | N | C2 | 101.6° | 63.5° |
| C11 | C10 | H1 | H2 | 119.3° | 120.0° |
| C10 | C11 | C15 | H5 | 0.2° | 0.0° |
| C10 | C11 | C16 | H6 | 0.2° | 0.3° |
| C1 | C | N | C10 | 179.8° | 160.3° |
| C1 | C | N | C2 | 0.1° | 35.5° |
| C | C1 | N1 | C3 | 1.2° | 17.7° |
| C | C1 | N1 | H28 | 178.8° | 162.3° |
| N | C | C1 | N1 | 0.8° | 0.4° |
| C | N | C10 | C2 | 179.8° | 125.4° |
| C | N | C2 | C3 | 0.2° | 50.5° |
| C | N | C10 | H1 | 161.2° | 58.1° |
| C | N | C10 | H2 | 41.6° | 178.1° |
| C | N | C2 | H13 | 120.2° | 69.8° |
| C | N | C2 | H14 | 120.6° | 170.6° |
| C1 | N1 | C3 | H28 | 180.0° | 180.0° |
| C1 | N1 | C3 | C2 | 1.0° | 1.2° |
| C1 | N1 | C3 | O | 179.7° | 178.7° |
| C10 | N | C2 | C3 | 179.6° | 175.3° |
| N | C10 | H1 | H2 | 119.3° | 120.0° |
| C10 | N | C2 | H13 | 60.0° | 55.0° |
| C10 | N | C2 | H14 | 59.2° | 64.6° |
| N | C2 | C3 | N1 | 0.2° | 35.0° |
| N | C2 | C3 | H13 | 120.4° | 120.2° |
| N | C2 | C3 | H14 | 120.4° | 120.2° |
| N | C2 | C3 | O | 179.6° | 145.0° |
| C2 | N | C10 | H1 | 18.6° | 176.5° |
| C2 | N | C10 | H2 | 138.2° | 56.5° |
| N | C2 | H13 | H14 | 118.8° | 119.6° |
| N1 | C3 | C2 | O | 179.3° | 179.9° |
| N1 | C3 | C2 | H13 | 120.6° | 85.3° |
| N1 | C3 | C2 | H14 | 120.1° | 155.1° |
| C3 | C2 | H13 | H14 | 118.8° | 119.5° |
| C2 | C3 | N1 | H28 | 179.1° | 178.8° |
| O | C3 | C2 | H13 | 60.0° | 94.8° |
| O | C3 | C2 | H14 | 59.2° | 24.8° |
| O | C3 | N1 | H28 | 0.3° | 1.3° |
| H3 | C12 | C14 | H4 | 0.1° | 0.0° |
| H4 | C14 | C16 | H6 | 0.2° | 0.3° |
| H9 | C18 | C19 | H11 | 111.2° | 120.5° |
| H9 | C18 | C19 | H12 | 9.6° | 1.8° |
| H10 | C18 | C19 | H11 | 9.9° | 0.7° |
| H10 | C18 | C19 | H12 | 130.7° | 123.0° |
| H11 | C19 | C21 | H17 | 7.2° | 21.4° |
| H11 | C19 | C21 | H18 | 128.5° | 144.7° |
| H12 | C19 | C21 | H17 | 113.6° | 100.8° |
| H12 | C19 | C21 | H18 | 7.7° | 22.5° |
| H15 | C20 | C21 | H17 | 99.3° | 37.4° |
| H15 | C20 | C21 | H18 | 22.0° | 160.6° |
| H16 | C20 | C21 | H17 | 21.9° | 85.5° |
| H16 | C20 | C21 | H18 | 143.1° | 37.7° |
| H19 | C6 | C7 | H21 | 61.7° | 60.1° |
| H19 | C6 | C7 | H22 | 58.3° | 180.0° |
| H20 | C6 | C7 | H21 | 178.7° | 180.0° |
| H20 | C6 | C7 | H22 | 61.4° | 60.1° |
| H21 | C7 | C8 | H23 | 167.9° | 180.0° |
| H21 | C7 | C8 | H24 | 49.1° | 60.0° |
| H22 | C7 | C8 | H23 | 72.1° | 60.1° |
| H22 | C7 | C8 | H24 | 169.1° | 180.0° |
| H23 | C8 | C9 | H25 | 59.4° | 60.0° |
| H23 | C8 | C9 | H26 | 179.4° | 60.0° |
| H23 | C8 | C9 | H27 | 60.6° | 180.0° |
| H24 | C8 | C9 | H25 | 59.4° | 179.9° |
| H24 | C8 | C9 | H26 | 60.6° | 60.0° |
| H24 | C8 | C9 | H27 | 179.4° | 60.0° |
| H25 | C9 | H26 | H27 | 120.0° | 120.0° |
