S92
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.22Å | 1.24Å | |
| N8 | C22 | trip | 1.14Å | 1.15Å | |
| C22 | C21 | sing | 1.43Å | 1.43Å | |
| C | C4 | sing | 1.41Å | 1.44Å | |
| C | N | sing | 1.35Å | 1.38Å | |
| C4 | C3 | doub | 1.36Å | 1.35Å | |
| N | C1 | sing | 1.35Å | 1.36Å | |
| C21 | C20 | sing | 1.41Å | 1.41Å | Aromatic |
| C21 | C23 | doub | 1.41Å | 1.39Å | Aromatic |
| C20 | N7 | doub | 1.31Å | 1.32Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.44Å | |
| C1 | C2 | doub | 1.38Å | 1.38Å | |
| C23 | N9 | sing | 1.33Å | 1.34Å | Aromatic |
| C23 | N6 | sing | 1.37Å | 1.38Å | Aromatic |
| N7 | N6 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | C5 | sing | 1.48Å | 1.48Å | |
| N9 | C14 | doub | 1.33Å | 1.33Å | Aromatic |
| N6 | C16 | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | N3 | sing | 1.37Å | 1.36Å | Aromatic |
| C14 | C6 | sing | 1.48Å | 1.46Å | |
| C14 | C15 | sing | 1.40Å | 1.43Å | Aromatic |
| C16 | C15 | doub | 1.37Å | 1.39Å | Aromatic |
| C16 | N5 | sing | 1.38Å | 1.36Å | |
| C6 | N1 | sing | 1.34Å | 1.36Å | Aromatic |
| C7 | N3 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| N3 | N2 | sing | 1.40Å | 1.35Å | Aromatic |
| N5 | C17 | sing | 1.46Å | 1.47Å | |
| C8 | N4 | sing | 1.47Å | 1.47Å | |
| N1 | N2 | doub | 1.29Å | 1.31Å | Aromatic |
| C17 | C19 | sing | 1.53Å | 1.48Å | |
| C17 | C18 | sing | 1.53Å | 1.48Å | |
| N4 | C13 | sing | 1.47Å | 1.47Å | |
| N4 | C9 | sing | 1.47Å | 1.48Å | |
| C19 | C18 | sing | 1.53Å | 1.48Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| N5 | H23 | sing | 0.97Å | 1.00Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C4 | H27 | sing | 1.08Å | 1.08Å | |
| N | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C4 | 125.1° | 119.8° |
| O | C | N | 119.4° | 119.8° |
| N8 | C22 | C21 | 177.6° | 180.0° |
| C22 | C21 | C20 | 128.7° | 126.5° |
| C22 | C21 | C23 | 126.0° | 126.6° |
| C4 | C | N | 115.6° | 120.4° |
| C | C4 | C3 | 120.9° | 119.5° |
| C | C4 | H27 | 119.6° | 120.2° |
| C | N | C1 | 124.3° | 121.0° |
| C | N | H2 | 117.8° | 119.5° |
| C4 | C3 | C2 | 121.6° | 119.1° |
| C4 | C3 | H3 | 119.2° | 120.5° |
| C3 | C4 | H27 | 119.6° | 120.3° |
| N | C1 | C2 | 120.8° | 120.5° |
| N | C1 | H1 | 119.6° | 119.7° |
| C1 | N | H2 | 117.9° | 119.5° |
| C20 | C21 | C23 | 105.3° | 106.9° |
| C21 | C20 | N7 | 113.1° | 108.7° |
| C21 | C20 | H21 | 123.4° | 125.6° |
| C21 | C23 | N9 | 132.4° | 132.3° |
| C21 | C23 | N6 | 105.2° | 106.6° |
| C20 | N7 | N6 | 103.7° | 109.5° |
| N7 | C20 | H21 | 123.5° | 125.6° |
| C3 | C2 | C1 | 116.9° | 119.5° |
| C3 | C2 | C5 | 118.7° | 120.2° |
| C2 | C3 | H3 | 119.2° | 120.4° |
| C1 | C2 | C5 | 124.4° | 120.3° |
| C2 | C1 | H1 | 119.6° | 119.8° |
| N9 | C23 | N6 | 122.4° | 121.0° |
| C23 | N9 | C14 | 117.3° | 120.9° |
| C23 | N6 | N7 | 112.7° | 108.2° |
| C23 | N6 | C16 | 122.9° | 119.8° |
| N7 | N6 | C16 | 124.5° | 132.1° |
| C2 | C5 | C6 | 132.4° | 126.9° |
| C2 | C5 | N3 | 123.6° | 126.9° |
| N9 | C14 | C6 | 117.8° | 120.0° |
| N9 | C14 | C15 | 121.9° | 120.0° |
| N6 | C16 | C15 | 114.4° | 119.1° |
| N6 | C16 | N5 | 119.2° | 120.5° |
| C6 | C5 | N3 | 104.0° | 106.2° |
| C5 | C6 | C14 | 132.7° | 125.9° |
| C5 | C6 | N1 | 108.8° | 108.2° |
| C5 | N3 | C7 | 130.0° | 126.7° |
| C5 | N3 | N2 | 110.8° | 106.6° |
| C6 | C14 | C15 | 120.3° | 120.0° |
| C14 | C6 | N1 | 118.5° | 125.9° |
| C14 | C15 | C16 | 121.1° | 119.2° |
| C14 | C15 | H18 | 119.4° | 120.4° |
| C15 | C16 | N5 | 126.3° | 120.4° |
| C16 | C15 | H18 | 119.4° | 120.4° |
| C16 | N5 | C17 | 121.8° | 120.0° |
| C16 | N5 | H23 | 106.3° | 119.9° |
| C6 | N1 | N2 | 108.9° | 110.1° |
| N3 | C7 | C8 | 112.9° | 109.5° |
| C7 | N3 | N2 | 119.2° | 126.7° |
| N3 | C7 | H4 | 108.6° | 109.5° |
| N3 | C7 | H5 | 108.6° | 109.4° |
| C7 | C8 | N4 | 115.1° | 109.5° |
| C8 | C7 | H4 | 108.6° | 109.5° |
| C8 | C7 | H5 | 108.6° | 109.5° |
| C7 | C8 | H6 | 108.1° | 109.5° |
| C7 | C8 | H7 | 108.0° | 109.5° |
| N3 | N2 | N1 | 107.6° | 108.9° |
| N5 | C17 | C19 | 117.4° | 117.5° |
| N5 | C17 | C18 | 118.1° | 117.5° |
| C17 | N5 | H23 | 106.3° | 120.1° |
| N5 | C17 | H24 | 116.6° | 115.6° |
| C8 | N4 | C13 | 110.7° | 111.0° |
| C8 | N4 | C9 | 112.3° | 111.0° |
| N4 | C8 | H6 | 108.1° | 109.5° |
| N4 | C8 | H7 | 108.1° | 109.4° |
| C19 | C17 | C18 | 60.0° | 60.0° |
| C17 | C19 | C18 | 60.0° | 60.0° |
| C17 | C19 | H19 | 120.0° | 117.5° |
| C17 | C19 | H20 | 120.0° | 117.5° |
| C19 | C17 | H24 | 116.3° | 117.5° |
| C17 | C18 | C19 | 59.9° | 60.0° |
| C18 | C17 | H24 | 116.3° | 117.5° |
| C17 | C18 | H25 | 120.0° | 117.4° |
| C17 | C18 | H26 | 120.0° | 117.5° |
| C13 | N4 | C9 | 109.2° | 111.2° |
| N4 | C13 | C12 | 111.7° | 109.5° |
| N4 | C13 | H16 | 108.9° | 109.5° |
| N4 | C13 | H17 | 108.9° | 109.5° |
| N4 | C9 | C10 | 110.8° | 109.5° |
| N4 | C9 | H8 | 109.1° | 109.5° |
| N4 | C9 | H9 | 109.1° | 109.4° |
| C18 | C19 | H19 | 120.0° | 117.5° |
| C18 | C19 | H20 | 120.0° | 117.5° |
| C19 | C18 | H25 | 120.0° | 117.5° |
| C19 | C18 | H26 | 120.0° | 117.5° |
| C13 | C12 | C11 | 111.2° | 109.3° |
| C13 | C12 | H14 | 109.1° | 109.5° |
| C13 | C12 | H15 | 109.1° | 109.5° |
| C12 | C13 | H16 | 108.9° | 109.4° |
| C12 | C13 | H17 | 108.9° | 109.5° |
| C9 | C10 | C11 | 111.1° | 109.3° |
| C10 | C9 | H8 | 109.1° | 109.5° |
| C10 | C9 | H9 | 109.1° | 109.4° |
| C9 | C10 | H10 | 109.1° | 109.6° |
| C9 | C10 | H11 | 109.1° | 109.4° |
| C12 | C11 | C10 | 111.1° | 109.2° |
| C12 | C11 | H12 | 109.0° | 109.6° |
| C12 | C11 | H13 | 109.1° | 109.6° |
| C11 | C12 | H14 | 109.0° | 109.5° |
| C11 | C12 | H15 | 109.0° | 109.5° |
| C11 | C10 | H10 | 109.1° | 109.5° |
| C11 | C10 | H11 | 109.1° | 109.5° |
| C10 | C11 | H12 | 109.1° | 109.5° |
| C10 | C11 | H13 | 109.1° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.4° |
| H8 | C9 | H9 | 109.5° | 109.4° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.6° |
| H14 | C12 | H15 | 109.4° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.5° | 115.6° |
| H25 | C18 | H26 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C4 | N | 179.6° | 179.1° |
| O | C | C4 | C3 | 179.9° | 179.9° |
| O | C | N | C1 | 179.6° | 179.8° |
| O | C | C4 | H27 | 0.0° | 0.5° |
| O | C | N | H2 | 0.4° | 0.3° |
| N8 | C22 | C21 | C20 | 174.8° | 160.1° |
| N8 | C22 | C21 | C23 | 5.2° | 20.0° |
| C22 | C21 | C20 | C23 | 180.0° | 179.9° |
| C22 | C21 | C20 | N7 | 180.0° | 180.0° |
| C22 | C21 | C23 | N9 | 0.1° | 0.1° |
| C22 | C21 | C23 | N6 | 179.9° | 179.8° |
| C22 | C21 | C20 | H21 | 0.1° | 0.2° |
| C | C4 | C3 | H27 | 180.0° | 179.4° |
| C4 | C | N | C1 | 0.0° | 0.6° |
| C | C4 | C3 | C2 | 0.5° | 0.7° |
| C | C4 | C3 | H3 | 179.5° | 179.5° |
| C4 | C | N | H2 | 180.0° | 179.4° |
| N | C | C4 | C3 | 0.3° | 0.9° |
| C | N | C1 | H2 | 180.0° | 179.9° |
| C | N | C1 | C2 | 0.1° | 0.1° |
| C | N | C1 | H1 | 179.9° | 179.7° |
| N | C | C4 | H27 | 179.7° | 179.7° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.4° | 0.1° |
| C4 | C3 | C2 | C5 | 180.0° | 180.0° |
| N | C1 | C2 | C3 | 0.0° | 0.2° |
| N | C1 | C2 | H1 | 180.0° | 179.8° |
| N | C1 | C2 | C5 | 179.7° | 179.7° |
| C21 | C20 | N7 | H21 | 180.0° | 179.8° |
| C20 | C21 | C23 | N9 | 179.9° | 180.0° |
| C20 | C21 | C23 | N6 | 0.1° | 0.1° |
| C21 | C20 | N7 | N6 | 0.1° | 0.2° |
| C23 | C21 | C20 | N7 | 0.0° | 0.0° |
| C21 | C23 | N9 | N6 | 179.8° | 179.9° |
| C21 | C23 | N6 | N7 | 0.1° | 0.2° |
| C21 | C23 | N9 | C14 | 179.8° | 180.0° |
| C21 | C23 | N6 | C16 | 179.9° | 180.0° |
| C23 | C21 | C20 | H21 | 180.0° | 179.9° |
| C20 | N7 | N6 | C23 | 0.1° | 0.2° |
| C20 | N7 | N6 | C16 | 179.9° | 180.0° |
| C3 | C2 | C1 | C5 | 179.7° | 179.9° |
| C3 | C2 | C5 | C6 | 46.5° | 90.0° |
| C3 | C2 | C5 | N3 | 132.9° | 89.8° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | H27 | 179.5° | 180.0° |
| C1 | C2 | C5 | C6 | 133.8° | 90.0° |
| C1 | C2 | C5 | N3 | 46.7° | 90.1° |
| C1 | C2 | C3 | H3 | 179.6° | 180.0° |
| C2 | C1 | N | H2 | 179.8° | 180.0° |
| N9 | C23 | N6 | N7 | 179.9° | 179.9° |
| N9 | C23 | N6 | C16 | 0.2° | 0.1° |
| C23 | N9 | C14 | C6 | 179.2° | 179.8° |
| C23 | N9 | C14 | C15 | 0.4° | 0.3° |
| C23 | N6 | N7 | C16 | 179.8° | 179.7° |
| N6 | C23 | N9 | C14 | 0.4° | 0.1° |
| C23 | N6 | C16 | C15 | 0.1° | 0.3° |
| C23 | N6 | C16 | N5 | 179.8° | 179.7° |
| N7 | N6 | C16 | C15 | 179.9° | 180.0° |
| N7 | N6 | C16 | N5 | 0.0° | 0.0° |
| N6 | N7 | C20 | H21 | 180.0° | 180.0° |
| C2 | C5 | C6 | N3 | 179.6° | 179.9° |
| C2 | C5 | C6 | C14 | 0.0° | 0.0° |
| C2 | C5 | C6 | N1 | 179.5° | 179.8° |
| C2 | C5 | N3 | C7 | 0.1° | 0.0° |
| C2 | C5 | N3 | N2 | 179.5° | 179.8° |
| C5 | C2 | C1 | H1 | 0.3° | 0.0° |
| C5 | C2 | C3 | H3 | 0.0° | 0.1° |
| N9 | C14 | C6 | C5 | 5.2° | 0.2° |
| N9 | C14 | C6 | C15 | 178.8° | 179.5° |
| N9 | C14 | C15 | C16 | 0.2° | 0.5° |
| N9 | C14 | C6 | N1 | 174.2° | 179.6° |
| N9 | C14 | C15 | H18 | 179.7° | 179.5° |
| N6 | C16 | C15 | C14 | 0.1° | 0.5° |
| N6 | C16 | C15 | N5 | 179.8° | 180.0° |
| N6 | C16 | N5 | C17 | 179.8° | 180.0° |
| N6 | C16 | C15 | H18 | 179.9° | 179.5° |
| N6 | C16 | N5 | H23 | 58.0° | 0.0° |
| C5 | C6 | C14 | N1 | 179.4° | 179.7° |
| C5 | C6 | C14 | C15 | 176.0° | 179.7° |
| C6 | C5 | N3 | C7 | 179.7° | 179.8° |
| C6 | C5 | N3 | N2 | 0.1° | 0.3° |
| C5 | C6 | N1 | N2 | 0.0° | 0.2° |
| N3 | C5 | C6 | C14 | 179.5° | 179.9° |
| N3 | C5 | C6 | N1 | 0.1° | 0.4° |
| C5 | N3 | C7 | N2 | 179.5° | 179.8° |
| C5 | N3 | C7 | C8 | 103.7° | 89.7° |
| C5 | N3 | N2 | N1 | 0.1° | 0.2° |
| C5 | N3 | C7 | H4 | 16.8° | 150.3° |
| C5 | N3 | C7 | H5 | 135.8° | 30.3° |
| C6 | C14 | C15 | C16 | 179.0° | 180.0° |
| C14 | C6 | N1 | N2 | 179.6° | 180.0° |
| C6 | C14 | C15 | H18 | 1.0° | 0.0° |
| C14 | C15 | C16 | H18 | 180.0° | 180.0° |
| C14 | C15 | C16 | N5 | 179.7° | 179.5° |
| C15 | C14 | C6 | N1 | 4.6° | 0.0° |
| C15 | C16 | N5 | C17 | 0.4° | 0.0° |
| C15 | C16 | N5 | H23 | 122.1° | 180.0° |
| C16 | N5 | C17 | H23 | 121.7° | 179.9° |
| C16 | N5 | C17 | C19 | 92.2° | 155.0° |
| C16 | N5 | C17 | C18 | 161.0° | 136.4° |
| N5 | C16 | C15 | H18 | 0.3° | 0.5° |
| C16 | N5 | C17 | H24 | 52.8° | 9.4° |
| C6 | N1 | N2 | N3 | 0.0° | 0.0° |
| N3 | C7 | C8 | H4 | 120.5° | 120.0° |
| N3 | C7 | C8 | H5 | 120.5° | 120.0° |
| N3 | C7 | C8 | N4 | 68.5° | 180.0° |
| C7 | N3 | N2 | N1 | 179.7° | 180.0° |
| N3 | C7 | H4 | H5 | 118.4° | 120.0° |
| N3 | C7 | C8 | H6 | 52.4° | 60.0° |
| N3 | C7 | C8 | H7 | 170.7° | 60.0° |
| C8 | C7 | N3 | N2 | 76.8° | 90.1° |
| C7 | C8 | N4 | H6 | 120.8° | 120.0° |
| C7 | C8 | N4 | H7 | 120.8° | 120.0° |
| C7 | C8 | N4 | C13 | 171.8° | 170.0° |
| C7 | C8 | N4 | C9 | 65.9° | 65.8° |
| C8 | C7 | H4 | H5 | 118.4° | 120.0° |
| C7 | C8 | H6 | H7 | 117.4° | 120.0° |
| N2 | N3 | C7 | H4 | 162.7° | 29.9° |
| N2 | N3 | C7 | H5 | 43.7° | 149.9° |
| N5 | C17 | C19 | C18 | 108.3° | 107.5° |
| N5 | C17 | C19 | H24 | 145.1° | 145.0° |
| N5 | C17 | C18 | H24 | 146.2° | 145.1° |
| N5 | C17 | C19 | H19 | 142.2° | 145.0° |
| N5 | C17 | C19 | H20 | 1.1° | 0.0° |
| N5 | C17 | C18 | H25 | 2.4° | 145.0° |
| N5 | C17 | C18 | H26 | 143.4° | 0.1° |
| C8 | N4 | C13 | C9 | 124.1° | 124.1° |
| C8 | N4 | C13 | C12 | 175.0° | 174.2° |
| C8 | N4 | C9 | C10 | 175.1° | 174.2° |
| N4 | C8 | C7 | H4 | 171.0° | 60.0° |
| N4 | C8 | C7 | H5 | 52.0° | 60.0° |
| N4 | C8 | H6 | H7 | 117.5° | 119.9° |
| C8 | N4 | C9 | H8 | 64.7° | 54.1° |
| C8 | N4 | C9 | H9 | 54.9° | 65.8° |
| C8 | N4 | C13 | H16 | 54.7° | 65.9° |
| C8 | N4 | C13 | H17 | 64.7° | 54.1° |
| C19 | C17 | C18 | H24 | 106.6° | 107.4° |
| C17 | C19 | C18 | H19 | 109.5° | 107.5° |
| C17 | C19 | C18 | H20 | 109.5° | 107.5° |
| C17 | C19 | H19 | H20 | 144.7° | 145.7° |
| C19 | C17 | N5 | H23 | 29.5° | 25.1° |
| C19 | C17 | C18 | H25 | 109.5° | 107.5° |
| C19 | C17 | C18 | H26 | 109.4° | 107.5° |
| C18 | C17 | N5 | H23 | 39.4° | 43.5° |
| C17 | C18 | H25 | H26 | 144.8° | 145.6° |
| N4 | C13 | C12 | H16 | 120.3° | 120.0° |
| N4 | C13 | C12 | H17 | 120.3° | 120.0° |
| C13 | N4 | C9 | C10 | 61.8° | 61.7° |
| N4 | C13 | C12 | C11 | 55.5° | 59.2° |
| C13 | N4 | C8 | H6 | 51.0° | 50.0° |
| C13 | N4 | C8 | H7 | 67.4° | 70.0° |
| C13 | N4 | C9 | H8 | 58.4° | 178.2° |
| C13 | N4 | C9 | H9 | 178.1° | 58.3° |
| N4 | C13 | C12 | H14 | 64.8° | 179.1° |
| N4 | C13 | C12 | H15 | 175.8° | 60.8° |
| N4 | C13 | H16 | H17 | 119.0° | 120.0° |
| C9 | N4 | C13 | C12 | 60.9° | 61.7° |
| N4 | C9 | C10 | H8 | 120.2° | 120.1° |
| N4 | C9 | C10 | H9 | 120.2° | 120.0° |
| N4 | C9 | C10 | C11 | 57.7° | 59.1° |
| C9 | N4 | C8 | H6 | 173.3° | 174.2° |
| C9 | N4 | C8 | H7 | 54.9° | 54.2° |
| N4 | C9 | H8 | H9 | 119.4° | 119.9° |
| N4 | C9 | C10 | H10 | 177.9° | 179.1° |
| N4 | C9 | C10 | H11 | 62.6° | 60.8° |
| C9 | N4 | C13 | H16 | 178.8° | 58.2° |
| C9 | N4 | C13 | H17 | 59.5° | 178.2° |
| C18 | C19 | H19 | H20 | 144.7° | 145.7° |
| C19 | C18 | H25 | H26 | 144.8° | 145.8° |
| C13 | C12 | C11 | H14 | 120.3° | 119.9° |
| C13 | C12 | C11 | H15 | 120.3° | 120.0° |
| C13 | C12 | C11 | C10 | 50.2° | 57.6° |
| C13 | C12 | C11 | H12 | 170.4° | 62.2° |
| C13 | C12 | C11 | H13 | 70.1° | 177.6° |
| C13 | C12 | H14 | H15 | 119.2° | 120.1° |
| C12 | C13 | H16 | H17 | 119.0° | 120.0° |
| C9 | C10 | C11 | C12 | 51.4° | 57.6° |
| C9 | C10 | C11 | H10 | 120.2° | 120.0° |
| C9 | C10 | C11 | H11 | 120.2° | 119.9° |
| C10 | C9 | H8 | H9 | 119.4° | 119.9° |
| C9 | C10 | H10 | H11 | 119.2° | 120.0° |
| C9 | C10 | C11 | H12 | 171.6° | 62.3° |
| C9 | C10 | C11 | H13 | 68.8° | 177.6° |
| C12 | C11 | C10 | H12 | 120.2° | 119.9° |
| C12 | C11 | C10 | H13 | 120.3° | 120.0° |
| C12 | C11 | C10 | H10 | 171.7° | 177.6° |
| C12 | C11 | C10 | H11 | 68.8° | 62.3° |
| C12 | C11 | H12 | H13 | 119.3° | 120.2° |
| C11 | C12 | H14 | H15 | 119.2° | 120.1° |
| C11 | C12 | C13 | H16 | 175.8° | 60.8° |
| C11 | C12 | C13 | H17 | 64.8° | 179.2° |
| C11 | C10 | C9 | H8 | 62.5° | 179.2° |
| C11 | C10 | C9 | H9 | 177.9° | 60.9° |
| C11 | C10 | H10 | H11 | 119.3° | 120.1° |
| C10 | C11 | H12 | H13 | 119.3° | 120.1° |
| C10 | C11 | C12 | H14 | 70.1° | 177.6° |
| C10 | C11 | C12 | H15 | 170.5° | 62.3° |
| H1 | C1 | N | H2 | 0.2° | 0.2° |
| H3 | C3 | C4 | H27 | 0.5° | 0.1° |
| H4 | C7 | C8 | H6 | 68.1° | 60.0° |
| H4 | C7 | C8 | H7 | 50.2° | 180.0° |
| H5 | C7 | C8 | H6 | 172.9° | 180.0° |
| H5 | C7 | C8 | H7 | 68.8° | 60.0° |
| H8 | C9 | C10 | H10 | 57.7° | 60.8° |
| H8 | C9 | C10 | H11 | 177.2° | 59.3° |
| H9 | C9 | C10 | H10 | 61.9° | 59.2° |
| H9 | C9 | C10 | H11 | 57.6° | 179.2° |
| H10 | C10 | C11 | H12 | 68.1° | 57.7° |
| H10 | C10 | C11 | H13 | 51.4° | 62.4° |
| H11 | C10 | C11 | H12 | 51.4° | 177.8° |
| H11 | C10 | C11 | H13 | 170.9° | 57.7° |
| H12 | C11 | C12 | H14 | 50.1° | 57.7° |
| H12 | C11 | C12 | H15 | 69.3° | 177.8° |
| H13 | C11 | C12 | H14 | 169.6° | 62.5° |
| H13 | C11 | C12 | H15 | 50.2° | 57.6° |
| H14 | C12 | C13 | H16 | 55.5° | 59.1° |
| H14 | C12 | C13 | H17 | 174.9° | 60.9° |
| H15 | C12 | C13 | H16 | 63.9° | 179.2° |
| H15 | C12 | C13 | H17 | 55.4° | 59.2° |
| H19 | C19 | C17 | H24 | 2.9° | 0.0° |
| H19 | C19 | C18 | H25 | 141.1° | 0.1° |
| H19 | C19 | C18 | H26 | 0.0° | 145.0° |
| H20 | C19 | C17 | H24 | 143.9° | 145.0° |
| H20 | C19 | C18 | H25 | 0.1° | 145.1° |
| H20 | C19 | C18 | H26 | 141.0° | 0.1° |
| H23 | N5 | C17 | H24 | 174.5° | 170.7° |
| H24 | C17 | C18 | H25 | 143.9° | 0.1° |
| H24 | C17 | C18 | H26 | 2.8° | 145.0° |
