S9A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C12 | sing | 1.53Å | 1.50Å | |
| C12 | O1 | sing | 1.43Å | 1.44Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| O1 | C11 | sing | 1.43Å | 1.40Å | |
| C10 | C11 | sing | 1.54Å | 1.57Å | |
| C10 | N2 | sing | 1.48Å | 1.47Å | |
| C11 | C15 | sing | 1.54Å | 1.58Å | |
| C15 | N2 | sing | 1.48Å | 1.47Å | |
| N2 | C9 | sing | 1.35Å | 1.34Å | |
| O2 | C9 | doub | 1.22Å | 1.22Å | |
| C9 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C8 | sing | 1.46Å | 1.45Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C16 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.48Å | 1.49Å | |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C23 | N7 | doub | 1.32Å | 1.33Å | Aromatic |
| N3 | C18 | doub | 1.32Å | 1.35Å | Aromatic |
| N7 | C18 | sing | 1.33Å | 1.34Å | Aromatic |
| C18 | N4 | sing | 1.39Å | 1.37Å | |
| N4 | C19 | sing | 1.41Å | 1.40Å | |
| C20 | C19 | doub | 1.36Å | 1.39Å | Aromatic |
| C20 | N5 | sing | 1.36Å | 1.35Å | Aromatic |
| C19 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| N5 | C21 | sing | 1.46Å | 1.46Å | |
| N5 | N6 | sing | 1.40Å | 1.37Å | Aromatic |
| C22 | N6 | doub | 1.31Å | 1.32Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C1 | H21 | sing | 1.08Å | 1.08Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C12 | O1 | 104.9° | 109.5° |
| C14 | C12 | C13 | 113.2° | 109.5° |
| C14 | C12 | H23 | 109.7° | 109.5° |
| C12 | C14 | H24 | 109.5° | 109.5° |
| C12 | C14 | H25 | 109.5° | 109.4° |
| C12 | C14 | H26 | 109.5° | 109.4° |
| O1 | C12 | C13 | 108.6° | 109.5° |
| C12 | O1 | C11 | 118.7° | 114.0° |
| O1 | C12 | H23 | 110.6° | 109.5° |
| C12 | C13 | H10 | 109.5° | 109.5° |
| C12 | C13 | H11 | 109.5° | 109.5° |
| C12 | C13 | H12 | 109.4° | 109.5° |
| C13 | C12 | H23 | 109.7° | 109.5° |
| O1 | C11 | C10 | 108.8° | 113.8° |
| O1 | C11 | C15 | 119.5° | 113.8° |
| O1 | C11 | H22 | 113.2° | 113.0° |
| C11 | C10 | N2 | 82.8° | 86.2° |
| C10 | C11 | C15 | 92.2° | 86.3° |
| C11 | C10 | H8 | 115.7° | 113.7° |
| C11 | C10 | H9 | 115.6° | 113.8° |
| C10 | C11 | H22 | 110.6° | 113.7° |
| C10 | N2 | C15 | 101.3° | 91.0° |
| C10 | N2 | C9 | 126.1° | 134.5° |
| N2 | C10 | H8 | 115.7° | 113.8° |
| N2 | C10 | H9 | 115.7° | 113.8° |
| C11 | C15 | N2 | 82.5° | 86.1° |
| C11 | C15 | H13 | 115.7° | 113.8° |
| C11 | C15 | H14 | 115.7° | 113.9° |
| C15 | C11 | H22 | 110.5° | 113.7° |
| C15 | N2 | C9 | 132.6° | 134.5° |
| N2 | C15 | H13 | 115.7° | 113.8° |
| N2 | C15 | H14 | 115.7° | 113.8° |
| N2 | C9 | O2 | 118.8° | 120.0° |
| N2 | C9 | N1 | 120.9° | 120.0° |
| O2 | C9 | N1 | 120.3° | 120.0° |
| C9 | N1 | C8 | 121.0° | 120.0° |
| C9 | N1 | H1 | 119.5° | 120.0° |
| N1 | C8 | C7 | 115.1° | 109.5° |
| C8 | N1 | H1 | 119.5° | 120.0° |
| N1 | C8 | H6 | 108.0° | 109.5° |
| N1 | C8 | H7 | 108.0° | 109.5° |
| C8 | C7 | C16 | 121.7° | 119.9° |
| C8 | C7 | C5 | 119.1° | 119.9° |
| C7 | C8 | H6 | 108.0° | 109.5° |
| C7 | C8 | H7 | 108.1° | 109.5° |
| C7 | C16 | C17 | 121.2° | 120.1° |
| C16 | C7 | C5 | 119.2° | 120.2° |
| C7 | C16 | H27 | 119.4° | 119.9° |
| C16 | C17 | C3 | 119.9° | 119.9° |
| C16 | C17 | H15 | 120.0° | 120.0° |
| C17 | C16 | H27 | 119.4° | 119.9° |
| C7 | C5 | C6 | 121.3° | 120.0° |
| C7 | C5 | C4 | 119.4° | 120.1° |
| C17 | C3 | C4 | 118.4° | 119.7° |
| C17 | C3 | C2 | 120.8° | 120.2° |
| C3 | C17 | H15 | 120.1° | 120.1° |
| C6 | C5 | C4 | 119.1° | 119.9° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| C5 | C6 | H4 | 109.5° | 109.4° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| C5 | C4 | C3 | 121.8° | 119.9° |
| C5 | C4 | H2 | 119.1° | 120.1° |
| C4 | C3 | C2 | 120.8° | 120.1° |
| C3 | C4 | H2 | 119.1° | 120.0° |
| C3 | C2 | C1 | 121.5° | 120.5° |
| C3 | C2 | N3 | 117.3° | 120.5° |
| C2 | C1 | C23 | 116.6° | 118.4° |
| C1 | C2 | N3 | 121.1° | 119.0° |
| C2 | C1 | H21 | 121.7° | 120.8° |
| C1 | C23 | N7 | 123.5° | 119.3° |
| C23 | C1 | H21 | 121.7° | 120.8° |
| C1 | C23 | H28 | 118.3° | 120.4° |
| C2 | N3 | C18 | 117.7° | 120.6° |
| C23 | N7 | C18 | 116.7° | 121.0° |
| N7 | C23 | H28 | 118.3° | 120.3° |
| N3 | C18 | N7 | 124.4° | 121.7° |
| N3 | C18 | N4 | 120.1° | 119.1° |
| N7 | C18 | N4 | 115.4° | 119.1° |
| C18 | N4 | C19 | 126.3° | 120.0° |
| C18 | N4 | H29 | 116.9° | 120.0° |
| N4 | C19 | C20 | 128.9° | 126.1° |
| N4 | C19 | C22 | 126.2° | 126.1° |
| C19 | N4 | H29 | 116.8° | 120.0° |
| C19 | C20 | N5 | 106.4° | 107.6° |
| C20 | C19 | C22 | 104.8° | 107.9° |
| C19 | C20 | H16 | 126.8° | 126.2° |
| C20 | N5 | C21 | 128.9° | 126.1° |
| C20 | N5 | N6 | 111.9° | 107.9° |
| N5 | C20 | H16 | 126.8° | 126.2° |
| C19 | C22 | N6 | 111.9° | 108.4° |
| C19 | C22 | H20 | 124.0° | 125.8° |
| C21 | N5 | N6 | 119.3° | 126.1° |
| N5 | C21 | H17 | 109.5° | 109.5° |
| N5 | C21 | H18 | 109.5° | 109.5° |
| N5 | C21 | H19 | 109.5° | 109.5° |
| N5 | N6 | C22 | 104.9° | 108.4° |
| N6 | C22 | H20 | 124.0° | 125.8° |
| H3 | C6 | H4 | 109.4° | 109.5° |
| H3 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.4° |
| H6 | C8 | H7 | 109.5° | 109.4° |
| H8 | C10 | H9 | 109.4° | 113.0° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H10 | C13 | H12 | 109.5° | 109.4° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.5° | 112.9° |
| H17 | C21 | H18 | 109.5° | 109.4° |
| H17 | C21 | H19 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.4° | 109.5° |
| H24 | C14 | H26 | 109.5° | 109.5° |
| H25 | C14 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C12 | O1 | C13 | 121.3° | 120.0° |
| C14 | C12 | O1 | H23 | 118.3° | 120.0° |
| C14 | C12 | C13 | H23 | 122.9° | 120.0° |
| C14 | C12 | O1 | C11 | 176.8° | 90.0° |
| C14 | C12 | C13 | H10 | 180.0° | 60.0° |
| C14 | C12 | C13 | H11 | 60.0° | 60.0° |
| C14 | C12 | C13 | H12 | 60.0° | 180.0° |
| C12 | C14 | H24 | H25 | 120.0° | 120.0° |
| C12 | C14 | H24 | H26 | 120.0° | 120.0° |
| C12 | C14 | H25 | H26 | 120.0° | 119.9° |
| O1 | C12 | C13 | H23 | 121.0° | 120.0° |
| C12 | O1 | C11 | C10 | 173.6° | 150.0° |
| C12 | O1 | C11 | C15 | 69.8° | 113.3° |
| O1 | C12 | C13 | H10 | 63.9° | 60.0° |
| O1 | C12 | C13 | H11 | 56.1° | 180.0° |
| O1 | C12 | C13 | H12 | 176.1° | 59.9° |
| C12 | O1 | C11 | H22 | 63.0° | 18.4° |
| O1 | C12 | C14 | H24 | 180.0° | 60.0° |
| O1 | C12 | C14 | H25 | 60.0° | 180.0° |
| O1 | C12 | C14 | H26 | 60.0° | 60.1° |
| C13 | C12 | O1 | C11 | 55.5° | 150.0° |
| C12 | C13 | H10 | H11 | 120.0° | 120.0° |
| C12 | C13 | H10 | H12 | 120.0° | 120.0° |
| C12 | C13 | H11 | H12 | 120.0° | 120.0° |
| C13 | C12 | C14 | H24 | 61.7° | 180.0° |
| C13 | C12 | C14 | H25 | 58.3° | 60.0° |
| C13 | C12 | C14 | H26 | 178.3° | 60.0° |
| O1 | C11 | C10 | C15 | 122.2° | 114.4° |
| O1 | C11 | C10 | H22 | 125.0° | 131.3° |
| O1 | C11 | C10 | N2 | 130.3° | 138.0° |
| O1 | C11 | C15 | H22 | 134.0° | 131.3° |
| O1 | C11 | C15 | N2 | 121.2° | 138.0° |
| O1 | C11 | C10 | H8 | 15.2° | 23.6° |
| O1 | C11 | C10 | H9 | 114.6° | 107.7° |
| O1 | C11 | C15 | H13 | 123.8° | 107.7° |
| O1 | C11 | C15 | H14 | 6.2° | 23.6° |
| C11 | O1 | C12 | H23 | 64.9° | 30.0° |
| C11 | C10 | N2 | H8 | 115.1° | 114.3° |
| C11 | C10 | N2 | H9 | 115.1° | 114.3° |
| C10 | C11 | C15 | H22 | 112.9° | 114.3° |
| C11 | C10 | N2 | C15 | 8.9° | 24.6° |
| C11 | C10 | N2 | C9 | 169.2° | 155.4° |
| C11 | C10 | H8 | H9 | 132.8° | 131.7° |
| C10 | C11 | C15 | H13 | 123.1° | 137.9° |
| C10 | C11 | C15 | H14 | 106.9° | 90.8° |
| C10 | N2 | C15 | C9 | 177.9° | 180.0° |
| C10 | N2 | C9 | O2 | 6.8° | 0.0° |
| C10 | N2 | C9 | N1 | 172.0° | 180.0° |
| N2 | C10 | H8 | H9 | 132.8° | 131.8° |
| C10 | N2 | C15 | H13 | 123.8° | 139.0° |
| C10 | N2 | C15 | H14 | 106.1° | 89.8° |
| N2 | C10 | C11 | H22 | 104.7° | 90.7° |
| C11 | C15 | N2 | H13 | 115.0° | 114.3° |
| C11 | C15 | N2 | H14 | 115.0° | 114.4° |
| C11 | C15 | N2 | C9 | 169.1° | 155.4° |
| C15 | C11 | C10 | H8 | 107.0° | 90.8° |
| C15 | C11 | C10 | H9 | 123.2° | 137.9° |
| C11 | C15 | H13 | H14 | 133.0° | 131.8° |
| C15 | N2 | C9 | O2 | 175.8° | 180.0° |
| C15 | N2 | C9 | N1 | 5.4° | 0.0° |
| C15 | N2 | C10 | H8 | 106.2° | 89.7° |
| C15 | N2 | C10 | H9 | 123.9° | 138.9° |
| N2 | C15 | H13 | H14 | 133.0° | 131.7° |
| N2 | C15 | C11 | H22 | 104.8° | 90.7° |
| N2 | C9 | O2 | N1 | 178.8° | 179.9° |
| N2 | C9 | N1 | C8 | 176.2° | 180.0° |
| N2 | C9 | N1 | H1 | 3.8° | 0.3° |
| C9 | N2 | C10 | H8 | 75.7° | 90.3° |
| C9 | N2 | C10 | H9 | 54.1° | 41.1° |
| C9 | N2 | C15 | H13 | 54.1° | 41.0° |
| C9 | N2 | C15 | H14 | 76.0° | 90.2° |
| O2 | C9 | N1 | C8 | 2.6° | 0.1° |
| O2 | C9 | N1 | H1 | 177.5° | 179.7° |
| C9 | N1 | C8 | H1 | 180.0° | 179.7° |
| C9 | N1 | C8 | C7 | 81.5° | 179.7° |
| C9 | N1 | C8 | H6 | 157.7° | 59.7° |
| C9 | N1 | C8 | H7 | 39.3° | 60.3° |
| N1 | C8 | C7 | H6 | 120.8° | 120.1° |
| N1 | C8 | C7 | H7 | 120.8° | 120.0° |
| N1 | C8 | C7 | C16 | 10.6° | 99.9° |
| N1 | C8 | C7 | C5 | 166.2° | 80.0° |
| N1 | C8 | H6 | H7 | 117.4° | 120.0° |
| C8 | C7 | C16 | C5 | 176.7° | 179.9° |
| C8 | C7 | C16 | C17 | 178.4° | 180.0° |
| C8 | C7 | C5 | C6 | 3.3° | 0.0° |
| C8 | C7 | C5 | C4 | 179.8° | 180.0° |
| C7 | C8 | N1 | H1 | 98.4° | 0.0° |
| C7 | C8 | H6 | H7 | 117.5° | 120.0° |
| C8 | C7 | C16 | H27 | 1.7° | 0.0° |
| C7 | C16 | C17 | H27 | 180.0° | 180.0° |
| C7 | C16 | C17 | C3 | 1.0° | 0.3° |
| C16 | C7 | C5 | C6 | 179.9° | 179.9° |
| C16 | C7 | C5 | C4 | 3.3° | 0.1° |
| C16 | C7 | C8 | H6 | 131.4° | 140.0° |
| C16 | C7 | C8 | H7 | 110.3° | 20.1° |
| C7 | C16 | C17 | H15 | 179.0° | 179.9° |
| C17 | C16 | C7 | C5 | 1.6° | 0.1° |
| C16 | C17 | C3 | H15 | 180.0° | 179.6° |
| C16 | C17 | C3 | C4 | 1.9° | 0.5° |
| C16 | C17 | C3 | C2 | 179.0° | 180.0° |
| C7 | C5 | C6 | C4 | 176.6° | 180.0° |
| C7 | C5 | C4 | C3 | 2.5° | 0.3° |
| C7 | C5 | C4 | H2 | 177.5° | 180.0° |
| C7 | C5 | C6 | H3 | 88.2° | 89.9° |
| C7 | C5 | C6 | H4 | 151.8° | 30.0° |
| C7 | C5 | C6 | H5 | 31.8° | 150.0° |
| C5 | C7 | C8 | H6 | 45.4° | 40.1° |
| C5 | C7 | C8 | H7 | 73.0° | 160.0° |
| C5 | C7 | C16 | H27 | 178.4° | 180.0° |
| C17 | C3 | C4 | C5 | 0.2° | 0.5° |
| C17 | C3 | C4 | C2 | 179.1° | 179.4° |
| C17 | C3 | C2 | C1 | 28.8° | 5.0° |
| C17 | C3 | C2 | N3 | 148.1° | 174.9° |
| C17 | C3 | C4 | H2 | 179.8° | 179.7° |
| C3 | C17 | C16 | H27 | 178.9° | 179.7° |
| C6 | C5 | C4 | C3 | 179.1° | 179.7° |
| C6 | C5 | C4 | H2 | 0.9° | 0.1° |
| C5 | C6 | H3 | H4 | 120.0° | 120.0° |
| C5 | C6 | H3 | H5 | 120.0° | 120.0° |
| C5 | C6 | H4 | H5 | 120.0° | 120.0° |
| C5 | C4 | C3 | H2 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 179.3° | 180.0° |
| C4 | C5 | C6 | H3 | 88.3° | 90.0° |
| C4 | C5 | C6 | H4 | 31.6° | 150.0° |
| C4 | C5 | C6 | H5 | 151.6° | 30.0° |
| C4 | C3 | C2 | C1 | 152.2° | 175.6° |
| C4 | C3 | C2 | N3 | 30.9° | 4.5° |
| C4 | C3 | C17 | H15 | 178.1° | 179.9° |
| C3 | C2 | C1 | N3 | 176.8° | 179.9° |
| C3 | C2 | C1 | C23 | 177.9° | 180.0° |
| C3 | C2 | N3 | C18 | 178.8° | 180.0° |
| C2 | C3 | C4 | H2 | 0.7° | 0.3° |
| C2 | C3 | C17 | H15 | 1.0° | 0.5° |
| C3 | C2 | C1 | H21 | 2.1° | 0.1° |
| C2 | C1 | C23 | H21 | 180.0° | 179.9° |
| C2 | C1 | C23 | N7 | 0.1° | 0.0° |
| C1 | C2 | N3 | C18 | 1.9° | 0.1° |
| C2 | C1 | C23 | H28 | 179.9° | 180.0° |
| C23 | C1 | C2 | N3 | 1.1° | 0.1° |
| C1 | C23 | N7 | H28 | 180.0° | 180.0° |
| C1 | C23 | N7 | C18 | 0.5° | 0.0° |
| C2 | N3 | C18 | N7 | 1.5° | 0.1° |
| C2 | N3 | C18 | N4 | 179.7° | 180.0° |
| N3 | C2 | C1 | H21 | 178.9° | 180.0° |
| C23 | N7 | C18 | N3 | 0.3° | 0.0° |
| C23 | N7 | C18 | N4 | 178.6° | 180.0° |
| N7 | C23 | C1 | H21 | 179.9° | 180.0° |
| N3 | C18 | N7 | N4 | 178.3° | 179.9° |
| N3 | C18 | N4 | C19 | 5.0° | 180.0° |
| N3 | C18 | N4 | H29 | 175.1° | 0.0° |
| N7 | C18 | N4 | C19 | 176.6° | 0.0° |
| C18 | N7 | C23 | H28 | 179.5° | 180.0° |
| N7 | C18 | N4 | H29 | 3.3° | 180.0° |
| C18 | N4 | C19 | H29 | 180.0° | 180.0° |
| C18 | N4 | C19 | C20 | 0.1° | 180.0° |
| C18 | N4 | C19 | C22 | 177.0° | 0.0° |
| N4 | C19 | C20 | C22 | 177.6° | 180.0° |
| N4 | C19 | C20 | N5 | 178.7° | 180.0° |
| N4 | C19 | C22 | N6 | 179.3° | 180.0° |
| N4 | C19 | C20 | H16 | 1.3° | 0.3° |
| N4 | C19 | C22 | H20 | 0.8° | 0.0° |
| C19 | C20 | N5 | H16 | 180.0° | 179.7° |
| C19 | C20 | N5 | C21 | 179.7° | 180.0° |
| C19 | C20 | N5 | N6 | 0.3° | 0.0° |
| C20 | C19 | C22 | N6 | 1.6° | 0.0° |
| C20 | C19 | C22 | H20 | 178.4° | 180.0° |
| C20 | C19 | N4 | H29 | 179.9° | 0.0° |
| N5 | C20 | C19 | C22 | 1.1° | 0.0° |
| C20 | N5 | C21 | N6 | 180.0° | 180.0° |
| C20 | N5 | N6 | C22 | 0.6° | 0.0° |
| C20 | N5 | C21 | H17 | 180.0° | 90.0° |
| C20 | N5 | C21 | H18 | 60.0° | 150.0° |
| C20 | N5 | C21 | H19 | 60.0° | 30.0° |
| C19 | C22 | N6 | N5 | 1.4° | 0.0° |
| C19 | C22 | N6 | H20 | 180.0° | 179.9° |
| C22 | C19 | C20 | H16 | 178.9° | 179.7° |
| C22 | C19 | N4 | H29 | 3.0° | 180.0° |
| C21 | N5 | N6 | C22 | 179.3° | 180.0° |
| C21 | N5 | C20 | H16 | 0.3° | 0.3° |
| N5 | C21 | H17 | H18 | 120.0° | 120.0° |
| N5 | C21 | H17 | H19 | 120.0° | 120.0° |
| N5 | C21 | H18 | H19 | 120.0° | 120.0° |
| N6 | N5 | C20 | H16 | 179.7° | 179.7° |
| N6 | N5 | C21 | H17 | 0.0° | 90.0° |
| N6 | N5 | C21 | H18 | 120.0° | 30.0° |
| N6 | N5 | C21 | H19 | 120.0° | 150.0° |
| N5 | N6 | C22 | H20 | 178.6° | 180.0° |
| H1 | N1 | C8 | H6 | 22.4° | 120.0° |
| H1 | N1 | C8 | H7 | 140.7° | 120.0° |
| H3 | C6 | H4 | H5 | 120.0° | 120.1° |
| H8 | C10 | C11 | H22 | 140.2° | 154.9° |
| H9 | C10 | C11 | H22 | 10.3° | 23.6° |
| H10 | C13 | H11 | H12 | 120.0° | 120.0° |
| H10 | C13 | C12 | H23 | 57.1° | 180.0° |
| H11 | C13 | C12 | H23 | 177.1° | 60.0° |
| H12 | C13 | C12 | H23 | 62.9° | 60.1° |
| H13 | C15 | C11 | H22 | 10.2° | 23.6° |
| H14 | C15 | C11 | H22 | 140.2° | 154.9° |
| H15 | C17 | C16 | H27 | 1.1° | 0.2° |
| H17 | C21 | H18 | H19 | 120.0° | 120.0° |
| H21 | C1 | C23 | H28 | 0.1° | 0.1° |
| H23 | C12 | C14 | H24 | 61.2° | 60.0° |
| H23 | C12 | C14 | H25 | 178.9° | 60.0° |
| H23 | C12 | C14 | H26 | 58.9° | 180.0° |
| H24 | C14 | H25 | H26 | 120.0° | 120.1° |
