S4E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.50Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C14 | N2 | doub | 1.31Å | 1.33Å | Aromatic |
| C14 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| N2 | C3 | sing | 1.34Å | 1.37Å | Aromatic |
| C19 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C17 | sing | 1.36Å | 1.34Å | |
| N1 | C13 | doub | 1.33Å | 1.34Å | Aromatic |
| N5 | C17 | doub | 1.32Å | 1.33Å | Aromatic |
| N5 | C18 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | N4 | sing | 1.32Å | 1.33Å | Aromatic |
| C18 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| N4 | C16 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.42Å | 1.42Å | Aromatic |
| C13 | C4 | sing | 1.42Å | 1.44Å | Aromatic |
| C13 | N3 | sing | 1.38Å | 1.36Å | |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | N3 | sing | 1.40Å | 1.41Å | |
| C2 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C | O | sing | 1.43Å | 1.43Å | |
| C1 | O | sing | 1.36Å | 1.37Å | |
| C1 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | C7 | sing | 1.43Å | 1.44Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C12 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | N | sing | 1.47Å | 1.50Å | |
| C11 | N | sing | 1.47Å | 1.48Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| N | H25 | sing | 1.01Å | 1.00Å | |
| C5 | H27 | sing | 1.08Å | 1.08Å | |
| N3 | H28 | sing | 0.97Å | 1.00Å | |
| C18 | H29 | sing | 1.08Å | 1.08Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 119.2° | 117.5° |
| C22 | C21 | C23 | 60.0° | 60.0° |
| C21 | C22 | C23 | 60.0° | 60.0° |
| C22 | C21 | H19 | 115.9° | 117.4° |
| C21 | C22 | H20 | 120.0° | 117.5° |
| C21 | C22 | H21 | 120.0° | 117.5° |
| C20 | C21 | C23 | 119.2° | 117.5° |
| C21 | C20 | C19 | 113.7° | 109.5° |
| C21 | C20 | H17 | 108.4° | 109.5° |
| C21 | C20 | H18 | 108.4° | 109.5° |
| C20 | C21 | H19 | 115.4° | 115.6° |
| C21 | C23 | C22 | 60.1° | 60.0° |
| C23 | C21 | H19 | 115.9° | 117.5° |
| C21 | C23 | H30 | 120.0° | 117.5° |
| C21 | C23 | H31 | 120.0° | 117.5° |
| C23 | C22 | H20 | 120.0° | 117.5° |
| C23 | C22 | H21 | 120.0° | 117.5° |
| C22 | C23 | H30 | 120.0° | 117.5° |
| C22 | C23 | H31 | 120.0° | 117.5° |
| C20 | C19 | O2 | 107.9° | 109.5° |
| C20 | C19 | H15 | 109.9° | 109.5° |
| C20 | C19 | H16 | 109.8° | 109.4° |
| C19 | C20 | H17 | 108.4° | 109.4° |
| C19 | C20 | H18 | 108.4° | 109.5° |
| N2 | C14 | N1 | 128.8° | 122.9° |
| C14 | N2 | C3 | 115.2° | 120.5° |
| N2 | C14 | H13 | 115.6° | 118.5° |
| C14 | N1 | C13 | 116.7° | 121.6° |
| N1 | C14 | H13 | 115.6° | 118.5° |
| N2 | C3 | C2 | 118.3° | 121.9° |
| N2 | C3 | C4 | 122.4° | 118.7° |
| C19 | O2 | C17 | 123.0° | 117.0° |
| O2 | C19 | H15 | 109.8° | 109.5° |
| O2 | C19 | H16 | 109.8° | 109.5° |
| O2 | C17 | N5 | 112.9° | 119.1° |
| O2 | C17 | N4 | 118.5° | 119.1° |
| N1 | C13 | C4 | 121.3° | 118.2° |
| N1 | C13 | N3 | 118.8° | 120.9° |
| C17 | N5 | C18 | 114.4° | 120.8° |
| N5 | C17 | N4 | 128.5° | 121.8° |
| N5 | C18 | C15 | 124.4° | 119.0° |
| N5 | C18 | H29 | 117.8° | 120.5° |
| C17 | N4 | C16 | 114.6° | 120.9° |
| C18 | C15 | C16 | 113.8° | 118.4° |
| C18 | C15 | N3 | 122.7° | 120.8° |
| C15 | C18 | H29 | 117.8° | 120.5° |
| N4 | C16 | C15 | 124.2° | 119.0° |
| N4 | C16 | H14 | 117.9° | 120.5° |
| C2 | C3 | C4 | 119.4° | 119.5° |
| C3 | C2 | C1 | 120.5° | 119.5° |
| C3 | C2 | H1 | 119.7° | 120.2° |
| C3 | C4 | C13 | 115.6° | 118.2° |
| C3 | C4 | C5 | 119.1° | 119.9° |
| C4 | C13 | N3 | 119.9° | 120.9° |
| C13 | C4 | C5 | 125.2° | 121.9° |
| C13 | N3 | C15 | 127.0° | 120.0° |
| C13 | N3 | H28 | 116.5° | 120.0° |
| C16 | C15 | N3 | 123.5° | 120.8° |
| C15 | C16 | H14 | 117.9° | 120.5° |
| C15 | N3 | H28 | 116.5° | 120.0° |
| C2 | C1 | O | 124.9° | 119.7° |
| C2 | C1 | C6 | 120.2° | 120.7° |
| C1 | C2 | H1 | 119.7° | 120.2° |
| C4 | C5 | C6 | 120.5° | 119.7° |
| C4 | C5 | H27 | 119.7° | 120.2° |
| C | O | C1 | 118.1° | 117.0° |
| O | C | H22 | 109.5° | 109.5° |
| O | C | H23 | 109.4° | 109.5° |
| O | C | H24 | 109.5° | 109.5° |
| O | C1 | C6 | 114.9° | 119.7° |
| C1 | C6 | C5 | 120.3° | 120.8° |
| C1 | C6 | O1 | 114.8° | 119.6° |
| C5 | C6 | O1 | 125.0° | 119.6° |
| C6 | C5 | H27 | 119.8° | 120.2° |
| C6 | O1 | C7 | 118.0° | 117.0° |
| O1 | C7 | C8 | 108.9° | 109.5° |
| O1 | C7 | H2 | 109.6° | 109.5° |
| O1 | C7 | H3 | 109.6° | 109.5° |
| C7 | C8 | C9 | 114.5° | 109.5° |
| C7 | C8 | C12 | 110.8° | 109.5° |
| C8 | C7 | H2 | 109.6° | 109.5° |
| C8 | C7 | H3 | 109.6° | 109.5° |
| C7 | C8 | H4 | 107.4° | 109.5° |
| C9 | C8 | C12 | 109.4° | 109.2° |
| C8 | C9 | C10 | 104.7° | 109.2° |
| C9 | C8 | H4 | 107.2° | 109.5° |
| C8 | C9 | H5 | 110.7° | 109.5° |
| C8 | C9 | H6 | 110.6° | 109.5° |
| C8 | C12 | C11 | 106.6° | 109.3° |
| C12 | C8 | H4 | 107.2° | 109.6° |
| C8 | C12 | H11 | 110.2° | 109.5° |
| C8 | C12 | H12 | 110.2° | 109.5° |
| C9 | C10 | N | 113.9° | 109.5° |
| C10 | C9 | H5 | 110.6° | 109.5° |
| C10 | C9 | H6 | 110.6° | 109.5° |
| C9 | C10 | H7 | 108.4° | 109.4° |
| C9 | C10 | H8 | 108.4° | 109.4° |
| C12 | C11 | N | 112.7° | 109.5° |
| C12 | C11 | H9 | 108.7° | 109.5° |
| C12 | C11 | H10 | 108.7° | 109.5° |
| C11 | C12 | H11 | 110.2° | 109.5° |
| C11 | C12 | H12 | 110.2° | 109.5° |
| C10 | N | C11 | 111.7° | 111.2° |
| N | C10 | H7 | 108.3° | 109.5° |
| N | C10 | H8 | 108.3° | 109.5° |
| C10 | N | H25 | 108.9° | 111.0° |
| N | C11 | H9 | 108.6° | 109.5° |
| N | C11 | H10 | 108.7° | 109.5° |
| C11 | N | H25 | 108.9° | 111.0° |
| H2 | C7 | H3 | 109.5° | 109.4° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.4° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 115.5° |
| H22 | C | H23 | 109.4° | 109.5° |
| H22 | C | H24 | 109.5° | 109.5° |
| H23 | C | H24 | 109.5° | 109.4° |
| H30 | C23 | H31 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | C23 | 69.9° | 68.6° |
| C22 | C21 | C20 | H19 | 145.1° | 145.6° |
| C22 | C21 | C23 | H19 | 106.3° | 107.4° |
| C21 | C22 | C23 | H20 | 109.5° | 107.4° |
| C21 | C22 | C23 | H21 | 109.5° | 107.5° |
| C22 | C21 | C20 | C19 | 153.3° | 175.0° |
| C22 | C21 | C20 | H17 | 86.1° | 65.1° |
| C22 | C21 | C20 | H18 | 32.7° | 55.0° |
| C21 | C22 | H20 | H21 | 144.7° | 145.6° |
| C22 | C21 | C23 | H30 | 109.5° | 107.5° |
| C22 | C21 | C23 | H31 | 109.5° | 107.6° |
| C20 | C21 | C23 | H19 | 144.9° | 145.1° |
| C21 | C20 | C19 | H17 | 120.6° | 120.0° |
| C21 | C20 | C19 | H18 | 120.6° | 120.0° |
| C21 | C20 | C19 | O2 | 177.0° | 180.0° |
| C21 | C20 | C19 | H15 | 63.3° | 60.0° |
| C21 | C20 | C19 | H16 | 57.2° | 60.0° |
| C21 | C20 | H17 | H18 | 118.1° | 120.0° |
| C20 | C21 | C22 | H20 | 0.6° | 0.0° |
| C20 | C21 | C22 | H21 | 141.7° | 144.9° |
| C20 | C21 | C23 | H30 | 141.7° | 145.0° |
| C20 | C21 | C23 | H31 | 0.6° | 0.1° |
| C23 | C21 | C20 | C19 | 83.4° | 116.4° |
| C23 | C21 | C20 | H17 | 156.0° | 3.6° |
| C23 | C21 | C20 | H18 | 37.2° | 123.6° |
| C21 | C23 | H30 | H31 | 144.7° | 145.6° |
| C23 | C22 | H20 | H21 | 144.7° | 145.7° |
| C22 | C23 | H30 | H31 | 144.7° | 145.7° |
| C20 | C19 | O2 | H15 | 119.8° | 120.0° |
| C20 | C19 | O2 | H16 | 119.7° | 120.0° |
| C20 | C19 | O2 | C17 | 177.4° | 180.0° |
| C20 | C19 | H15 | H16 | 120.7° | 120.0° |
| C19 | C20 | H17 | H18 | 118.1° | 120.0° |
| C19 | C20 | C21 | H19 | 61.7° | 29.4° |
| N2 | C14 | N1 | H13 | 180.0° | 179.9° |
| N2 | C14 | N1 | C13 | 0.3° | 0.0° |
| C14 | N2 | C3 | C2 | 179.8° | 180.0° |
| C14 | N2 | C3 | C4 | 0.6° | 0.1° |
| N1 | C14 | N2 | C3 | 0.6° | 0.1° |
| C14 | N1 | C13 | C4 | 0.0° | 0.0° |
| C14 | N1 | C13 | N3 | 179.9° | 180.0° |
| N2 | C3 | C2 | C4 | 179.6° | 179.9° |
| N2 | C3 | C4 | C13 | 0.4° | 0.0° |
| N2 | C3 | C2 | C1 | 179.8° | 180.0° |
| N2 | C3 | C4 | C5 | 179.9° | 179.8° |
| N2 | C3 | C2 | H1 | 0.2° | 0.1° |
| C3 | N2 | C14 | H13 | 179.4° | 180.0° |
| C19 | O2 | C17 | N5 | 175.3° | 180.0° |
| C19 | O2 | C17 | N4 | 4.7° | 0.3° |
| O2 | C19 | H15 | H16 | 120.7° | 120.0° |
| O2 | C19 | C20 | H17 | 56.4° | 60.0° |
| O2 | C19 | C20 | H18 | 62.4° | 60.1° |
| O2 | C17 | N5 | N4 | 179.9° | 179.7° |
| O2 | C17 | N5 | C18 | 179.9° | 180.0° |
| O2 | C17 | N4 | C16 | 180.0° | 179.8° |
| C17 | O2 | C19 | H15 | 57.6° | 60.0° |
| C17 | O2 | C19 | H16 | 62.9° | 60.0° |
| N1 | C13 | C4 | C3 | 0.1° | 0.0° |
| N1 | C13 | C4 | N3 | 179.9° | 180.0° |
| N1 | C13 | N3 | C15 | 3.1° | 5.8° |
| N1 | C13 | C4 | C5 | 179.8° | 179.7° |
| C13 | N1 | C14 | H13 | 179.7° | 180.0° |
| N1 | C13 | N3 | H28 | 176.9° | 174.3° |
| C17 | N5 | C18 | C15 | 0.2° | 0.0° |
| N5 | C17 | N4 | C16 | 0.1° | 0.5° |
| C17 | N5 | C18 | H29 | 179.8° | 180.0° |
| C18 | N5 | C17 | N4 | 0.0° | 0.3° |
| N5 | C18 | C15 | H29 | 180.0° | 179.9° |
| N5 | C18 | C15 | C16 | 0.3° | 0.0° |
| N5 | C18 | C15 | N3 | 180.0° | 179.8° |
| C17 | N4 | C16 | C15 | 0.0° | 0.5° |
| C17 | N4 | C16 | H14 | 180.0° | 179.5° |
| C18 | C15 | C16 | N4 | 0.1° | 0.2° |
| C18 | C15 | N3 | C13 | 55.1° | 29.5° |
| C18 | C15 | C16 | N3 | 179.7° | 179.8° |
| C18 | C15 | C16 | H14 | 179.8° | 179.7° |
| C18 | C15 | N3 | H28 | 124.9° | 150.4° |
| N4 | C16 | C15 | H14 | 180.0° | 179.9° |
| N4 | C16 | C15 | N3 | 179.8° | 180.0° |
| C2 | C3 | C4 | C13 | 180.0° | 179.9° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.3° | 0.3° |
| C3 | C2 | C1 | O | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.1° |
| C3 | C4 | C13 | C5 | 179.7° | 179.7° |
| C3 | C4 | C13 | N3 | 179.8° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.1° |
| C3 | C4 | C5 | C6 | 0.4° | 0.3° |
| C4 | C3 | C2 | H1 | 179.9° | 180.0° |
| C3 | C4 | C5 | H27 | 179.6° | 179.8° |
| C4 | C13 | N3 | C15 | 177.0° | 174.3° |
| C13 | C4 | C5 | C6 | 179.9° | 180.0° |
| C13 | C4 | C5 | H27 | 0.1° | 0.0° |
| C4 | C13 | N3 | H28 | 3.0° | 5.6° |
| C13 | N3 | C15 | C16 | 124.6° | 150.7° |
| C13 | N3 | C15 | H28 | 180.0° | 179.9° |
| N3 | C13 | C4 | C5 | 0.1° | 0.2° |
| C16 | C15 | N3 | H28 | 55.4° | 29.3° |
| C16 | C15 | C18 | H29 | 179.8° | 179.9° |
| N3 | C15 | C16 | H14 | 0.1° | 0.1° |
| N3 | C15 | C18 | H29 | 0.1° | 0.3° |
| C2 | C1 | O | C | 4.2° | 0.2° |
| C2 | C1 | O | C6 | 179.9° | 179.8° |
| C2 | C1 | C6 | C5 | 0.3° | 0.2° |
| C2 | C1 | C6 | O1 | 179.8° | 179.8° |
| C4 | C5 | C6 | C1 | 0.4° | 0.1° |
| C4 | C5 | C6 | H27 | 180.0° | 179.9° |
| C4 | C5 | C6 | O1 | 179.8° | 180.0° |
| C | O | C1 | C6 | 175.9° | 180.0° |
| O | C | H22 | H23 | 120.0° | 120.0° |
| O | C | H22 | H24 | 120.0° | 120.0° |
| O | C | H23 | H24 | 120.0° | 120.0° |
| O | C1 | C6 | C5 | 179.8° | 180.0° |
| O | C1 | C6 | O1 | 0.3° | 0.1° |
| O | C1 | C2 | H1 | 0.0° | 0.1° |
| C1 | O | C | H22 | 180.0° | 60.0° |
| C1 | O | C | H23 | 60.0° | 60.0° |
| C1 | O | C | H24 | 60.0° | 179.9° |
| C1 | C6 | C5 | O1 | 179.5° | 179.9° |
| C1 | C6 | O1 | C7 | 165.3° | 179.9° |
| C6 | C1 | C2 | H1 | 179.9° | 179.8° |
| C1 | C6 | C5 | H27 | 179.6° | 180.0° |
| C5 | C6 | O1 | C7 | 15.2° | 0.0° |
| C6 | O1 | C7 | C8 | 156.1° | 180.0° |
| C6 | O1 | C7 | H2 | 36.2° | 60.0° |
| C6 | O1 | C7 | H3 | 84.0° | 60.0° |
| O1 | C6 | C5 | H27 | 0.2° | 0.1° |
| O1 | C7 | C8 | H2 | 119.9° | 120.0° |
| O1 | C7 | C8 | H3 | 119.9° | 120.0° |
| O1 | C7 | C8 | C9 | 26.6° | 175.0° |
| O1 | C7 | C8 | C12 | 150.9° | 65.3° |
| O1 | C7 | H2 | H3 | 120.3° | 120.0° |
| O1 | C7 | C8 | H4 | 92.3° | 54.9° |
| C7 | C8 | C9 | C12 | 125.0° | 119.9° |
| C7 | C8 | C9 | H4 | 119.0° | 120.0° |
| C7 | C8 | C12 | H4 | 116.8° | 120.1° |
| C7 | C8 | C9 | C10 | 169.8° | 177.5° |
| C7 | C8 | C12 | C11 | 167.0° | 177.6° |
| C8 | C7 | H2 | H3 | 120.3° | 119.9° |
| C7 | C8 | C9 | H5 | 70.9° | 57.7° |
| C7 | C8 | C9 | H6 | 50.6° | 62.5° |
| C7 | C8 | C12 | H11 | 47.4° | 62.5° |
| C7 | C8 | C12 | H12 | 73.5° | 57.6° |
| C9 | C8 | C12 | H4 | 116.0° | 120.0° |
| C8 | C9 | C10 | H5 | 119.3° | 119.9° |
| C8 | C9 | C10 | H6 | 119.2° | 120.0° |
| C9 | C8 | C12 | C11 | 65.9° | 57.7° |
| C8 | C9 | C10 | N | 58.2° | 59.2° |
| C9 | C8 | C7 | H2 | 146.5° | 54.9° |
| C9 | C8 | C7 | H3 | 93.3° | 65.0° |
| C8 | C9 | H5 | H6 | 122.2° | 120.1° |
| C8 | C9 | C10 | H7 | 178.8° | 179.2° |
| C8 | C9 | C10 | H8 | 62.4° | 60.9° |
| C9 | C8 | C12 | H11 | 174.6° | 177.6° |
| C9 | C8 | C12 | H12 | 53.7° | 62.3° |
| C12 | C8 | C9 | C10 | 65.1° | 57.6° |
| C8 | C12 | C11 | H11 | 119.6° | 120.0° |
| C8 | C12 | C11 | H12 | 119.5° | 119.9° |
| C8 | C12 | C11 | N | 57.9° | 59.2° |
| C12 | C8 | C7 | H2 | 89.2° | 174.6° |
| C12 | C8 | C7 | H3 | 31.0° | 54.7° |
| C12 | C8 | C9 | H5 | 54.1° | 62.3° |
| C12 | C8 | C9 | H6 | 175.7° | 177.6° |
| C8 | C12 | C11 | H9 | 62.6° | 60.9° |
| C8 | C12 | C11 | H10 | 178.3° | 179.2° |
| C8 | C12 | H11 | H12 | 121.3° | 120.1° |
| C9 | C10 | N | H7 | 120.7° | 120.0° |
| C9 | C10 | N | H8 | 120.7° | 120.0° |
| C9 | C10 | N | C11 | 52.7° | 61.7° |
| C10 | C9 | C8 | H4 | 50.9° | 62.4° |
| C10 | C9 | H5 | H6 | 122.2° | 120.1° |
| C9 | C10 | H7 | H8 | 118.0° | 119.9° |
| C9 | C10 | N | H25 | 67.6° | 62.3° |
| C12 | C11 | N | C10 | 51.6° | 61.8° |
| C12 | C11 | N | H9 | 120.5° | 120.0° |
| C12 | C11 | N | H10 | 120.5° | 120.0° |
| C11 | C12 | C8 | H4 | 50.1° | 62.3° |
| C12 | C11 | H9 | H10 | 118.6° | 120.0° |
| C11 | C12 | H11 | H12 | 121.3° | 120.1° |
| C12 | C11 | N | H25 | 68.7° | 62.4° |
| C10 | N | C11 | H25 | 120.3° | 124.1° |
| N | C10 | C9 | H5 | 61.1° | 60.8° |
| N | C10 | C9 | H6 | 177.4° | 179.1° |
| N | C10 | H7 | H8 | 117.9° | 120.1° |
| C10 | N | C11 | H9 | 68.9° | 58.3° |
| C10 | N | C11 | H10 | 172.1° | 178.2° |
| C11 | N | C10 | H7 | 173.4° | 178.3° |
| C11 | N | C10 | H8 | 67.9° | 58.2° |
| N | C11 | H9 | H10 | 118.5° | 120.0° |
| N | C11 | C12 | H11 | 177.4° | 179.2° |
| N | C11 | C12 | H12 | 61.7° | 60.8° |
| H2 | C7 | C8 | H4 | 27.6° | 65.2° |
| H3 | C7 | C8 | H4 | 147.8° | 174.9° |
| H4 | C8 | C9 | H5 | 170.1° | 177.7° |
| H4 | C8 | C9 | H6 | 68.4° | 57.6° |
| H4 | C8 | C12 | H11 | 69.4° | 57.6° |
| H4 | C8 | C12 | H12 | 169.7° | 177.7° |
| H5 | C9 | C10 | H7 | 59.6° | 59.3° |
| H5 | C9 | C10 | H8 | 178.3° | 179.2° |
| H6 | C9 | C10 | H7 | 61.9° | 60.8° |
| H6 | C9 | C10 | H8 | 56.8° | 59.1° |
| H7 | C10 | N | H25 | 53.1° | 57.7° |
| H8 | C10 | N | H25 | 171.8° | 177.7° |
| H9 | C11 | C12 | H11 | 57.0° | 59.1° |
| H9 | C11 | C12 | H12 | 177.9° | 179.2° |
| H9 | C11 | N | H25 | 170.8° | 177.6° |
| H10 | C11 | C12 | H11 | 62.1° | 60.8° |
| H10 | C11 | C12 | H12 | 58.8° | 59.2° |
| H10 | C11 | N | H25 | 51.7° | 57.7° |
| H15 | C19 | C20 | H17 | 176.1° | 60.0° |
| H15 | C19 | C20 | H18 | 57.3° | 179.9° |
| H16 | C19 | C20 | H17 | 63.4° | 180.0° |
| H16 | C19 | C20 | H18 | 177.9° | 59.9° |
| H17 | C20 | C21 | H19 | 59.0° | 149.3° |
| H18 | C20 | C21 | H19 | 177.7° | 90.6° |
| H19 | C21 | C22 | H20 | 144.2° | 144.9° |
| H19 | C21 | C22 | H21 | 3.2° | 0.0° |
| H19 | C21 | C23 | H30 | 3.2° | 0.1° |
| H19 | C21 | C23 | H31 | 144.3° | 145.0° |
| H20 | C22 | C23 | H30 | 141.0° | 145.1° |
| H20 | C22 | C23 | H31 | 0.0° | 0.0° |
| H21 | C22 | C23 | H30 | 0.0° | 0.0° |
| H21 | C22 | C23 | H31 | 141.0° | 145.0° |
| H22 | C | H23 | H24 | 120.0° | 120.0° |
