KZU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C19 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | doub | 1.33Å | 1.36Å | Aromatic |
| C16 | N15 | sing | 1.32Å | 1.38Å | Aromatic |
| C17 | S36 | sing | 1.76Å | 1.73Å | Aromatic |
| C23 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | O24 | sing | 1.36Å | 1.38Å | |
| N15 | C14 | doub | 1.30Å | 1.31Å | Aromatic |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C30 | O31 | sing | 1.43Å | 1.41Å | |
| C27 | N28 | sing | 1.35Å | 1.34Å | Aromatic |
| C27 | C26 | doub | 1.35Å | 1.36Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C29 | N28 | sing | 1.47Å | 1.46Å | |
| O24 | C25 | sing | 1.43Å | 1.42Å | |
| C25 | C26 | sing | 1.51Å | 1.49Å | |
| C32 | O31 | sing | 1.43Å | 1.42Å | |
| N28 | N33 | sing | 1.29Å | 1.34Å | Aromatic |
| C26 | N34 | sing | 1.34Å | 1.36Å | Aromatic |
| C14 | S36 | sing | 1.71Å | 1.74Å | Aromatic |
| C14 | N13 | sing | 1.39Å | 1.39Å | |
| C7 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| N13 | C2 | sing | 1.35Å | 1.37Å | |
| N33 | N34 | doub | 1.29Å | 1.31Å | Aromatic |
| N6 | C5 | doub | 1.33Å | 1.34Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C10 | N12 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C5 | N12 | sing | 1.33Å | 1.33Å | Aromatic |
| C5 | S4 | sing | 1.76Å | 1.75Å | |
| C3 | S4 | sing | 1.81Å | 1.83Å | |
| C25 | H1 | sing | 1.09Å | 1.10Å | |
| C25 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C32 | H5 | sing | 1.09Å | 1.10Å | |
| C32 | H6 | sing | 1.09Å | 1.10Å | |
| C32 | H7 | sing | 1.09Å | 1.10Å | |
| C35 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.08Å | 1.08Å | |
| N13 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 120.6° | 120.0° |
| C21 | C20 | C19 | 120.7° | 120.1° |
| C20 | C21 | H4 | 119.7° | 120.0° |
| C21 | C20 | H17 | 119.7° | 119.9° |
| C21 | C22 | C23 | 118.9° | 120.0° |
| C21 | C22 | H3 | 120.6° | 120.0° |
| C22 | C21 | H4 | 119.7° | 120.0° |
| C20 | C19 | C18 | 121.1° | 120.0° |
| C20 | C19 | C35 | 118.7° | 120.1° |
| C19 | C20 | H17 | 119.6° | 120.0° |
| C22 | C23 | C35 | 120.7° | 119.9° |
| C22 | C23 | O24 | 122.9° | 120.1° |
| C23 | C22 | H3 | 120.5° | 120.0° |
| C18 | C19 | C35 | 120.2° | 120.0° |
| C19 | C18 | C17 | 115.2° | 109.4° |
| C19 | C18 | H12 | 108.0° | 109.4° |
| C19 | C18 | H13 | 108.0° | 109.5° |
| C19 | C35 | C23 | 120.4° | 120.0° |
| C19 | C35 | H8 | 119.8° | 120.0° |
| C18 | C17 | C16 | 125.8° | 125.9° |
| C18 | C17 | S36 | 125.3° | 126.0° |
| C17 | C18 | H12 | 108.0° | 109.5° |
| C17 | C18 | H13 | 108.0° | 109.4° |
| C17 | C16 | N15 | 117.2° | 114.6° |
| C16 | C17 | S36 | 108.9° | 108.0° |
| C17 | C16 | H9 | 121.4° | 122.7° |
| C16 | N15 | C14 | 109.6° | 116.9° |
| N15 | C16 | H9 | 121.4° | 122.7° |
| C17 | S36 | C14 | 89.2° | 90.3° |
| C35 | C23 | O24 | 116.4° | 120.1° |
| C23 | C35 | H8 | 119.8° | 120.0° |
| C23 | O24 | C25 | 118.1° | 117.0° |
| N15 | C14 | S36 | 115.1° | 110.1° |
| N15 | C14 | N13 | 119.8° | 125.0° |
| C29 | C30 | O31 | 108.4° | 109.5° |
| C30 | C29 | N28 | 111.8° | 109.5° |
| C30 | C29 | H19 | 108.9° | 109.5° |
| C30 | C29 | H20 | 108.9° | 109.5° |
| C29 | C30 | H21 | 109.8° | 109.5° |
| C29 | C30 | H22 | 109.7° | 109.5° |
| C30 | O31 | C32 | 112.1° | 114.0° |
| O31 | C30 | H21 | 109.7° | 109.4° |
| O31 | C30 | H22 | 109.7° | 109.5° |
| N28 | C27 | C26 | 105.0° | 106.1° |
| C27 | N28 | C29 | 128.5° | 125.8° |
| C27 | N28 | N33 | 110.9° | 108.3° |
| N28 | C27 | H18 | 127.5° | 126.9° |
| C27 | C26 | C25 | 130.2° | 126.7° |
| C27 | C26 | N34 | 108.1° | 106.6° |
| C26 | C27 | H18 | 127.5° | 126.9° |
| C8 | C7 | C9 | 122.0° | 120.4° |
| C8 | C7 | N6 | 116.8° | 120.4° |
| C7 | C8 | H23 | 109.5° | 109.5° |
| C7 | C8 | H24 | 109.5° | 109.5° |
| C7 | C8 | H25 | 109.5° | 109.5° |
| C29 | N28 | N33 | 120.6° | 125.9° |
| N28 | C29 | H19 | 108.9° | 109.5° |
| N28 | C29 | H20 | 108.9° | 109.4° |
| O24 | C25 | C26 | 106.7° | 109.5° |
| O24 | C25 | H1 | 110.2° | 109.5° |
| O24 | C25 | H2 | 110.1° | 109.5° |
| C25 | C26 | N34 | 121.8° | 126.7° |
| C26 | C25 | H1 | 110.1° | 109.5° |
| C26 | C25 | H2 | 110.2° | 109.5° |
| O31 | C32 | H5 | 109.5° | 109.5° |
| O31 | C32 | H6 | 109.5° | 109.5° |
| O31 | C32 | H7 | 109.4° | 109.5° |
| N28 | N33 | N34 | 106.9° | 110.2° |
| C26 | N34 | N33 | 109.2° | 108.8° |
| S36 | C14 | N13 | 125.0° | 124.9° |
| C14 | N13 | C2 | 125.8° | 120.0° |
| C14 | N13 | H27 | 117.1° | 120.0° |
| C9 | C7 | N6 | 121.2° | 119.2° |
| C7 | C9 | C10 | 118.5° | 118.6° |
| C7 | C9 | H26 | 120.7° | 120.7° |
| C7 | N6 | C5 | 115.5° | 120.7° |
| C9 | C10 | C11 | 122.2° | 120.4° |
| C9 | C10 | N12 | 121.2° | 119.2° |
| C10 | C9 | H26 | 120.8° | 120.7° |
| N13 | C2 | O1 | 123.3° | 120.1° |
| N13 | C2 | C3 | 114.9° | 120.0° |
| C2 | N13 | H27 | 117.1° | 120.0° |
| N6 | C5 | N12 | 128.0° | 121.5° |
| N6 | C5 | S4 | 117.1° | 119.2° |
| C11 | C10 | N12 | 116.6° | 120.4° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| C10 | C11 | H15 | 109.5° | 109.4° |
| C10 | C11 | H16 | 109.5° | 109.5° |
| C10 | N12 | C5 | 115.6° | 120.8° |
| O1 | C2 | C3 | 121.7° | 119.9° |
| C2 | C3 | S4 | 116.6° | 109.5° |
| C2 | C3 | H10 | 107.6° | 109.5° |
| C2 | C3 | H11 | 107.7° | 109.5° |
| N12 | C5 | S4 | 114.8° | 119.3° |
| C5 | S4 | C3 | 101.7° | 100.0° |
| S4 | C3 | H10 | 107.7° | 109.5° |
| S4 | C3 | H11 | 107.7° | 109.5° |
| H1 | C25 | H2 | 109.5° | 109.4° |
| H5 | C32 | H6 | 109.4° | 109.4° |
| H5 | C32 | H7 | 109.5° | 109.5° |
| H6 | C32 | H7 | 109.5° | 109.5° |
| H10 | C3 | H11 | 109.5° | 109.5° |
| H12 | C18 | H13 | 109.5° | 109.6° |
| H14 | C11 | H15 | 109.4° | 109.5° |
| H14 | C11 | H16 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.4° | 109.5° |
| H19 | C29 | H20 | 109.5° | 109.5° |
| H21 | C30 | H22 | 109.5° | 109.4° |
| H23 | C8 | H24 | 109.5° | 109.5° |
| H23 | C8 | H25 | 109.5° | 109.5° |
| H24 | C8 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H4 | 180.0° | 180.0° |
| C21 | C20 | C19 | H17 | 180.0° | 179.6° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C21 | C20 | C19 | C18 | 179.2° | 180.0° |
| C21 | C20 | C19 | C35 | 0.0° | 0.6° |
| C20 | C21 | C22 | H3 | 179.9° | 180.0° |
| C22 | C21 | C20 | C19 | 0.1° | 0.3° |
| C21 | C22 | C23 | H3 | 180.0° | 179.9° |
| C21 | C22 | C23 | C35 | 0.1° | 0.0° |
| C21 | C22 | C23 | O24 | 179.8° | 179.7° |
| C22 | C21 | C20 | H17 | 179.9° | 179.9° |
| C20 | C19 | C18 | C35 | 179.1° | 179.4° |
| C20 | C19 | C18 | C17 | 135.4° | 90.6° |
| C20 | C19 | C35 | C23 | 0.0° | 0.6° |
| C19 | C20 | C21 | H4 | 180.0° | 179.7° |
| C20 | C19 | C35 | H8 | 180.0° | 179.3° |
| C20 | C19 | C18 | H12 | 14.5° | 29.4° |
| C20 | C19 | C18 | H13 | 103.8° | 149.5° |
| C22 | C23 | C35 | C19 | 0.1° | 0.3° |
| C22 | C23 | C35 | O24 | 179.8° | 179.7° |
| C22 | C23 | O24 | C25 | 16.6° | 0.4° |
| C23 | C22 | C21 | H4 | 179.9° | 180.0° |
| C22 | C23 | C35 | H8 | 180.0° | 179.6° |
| C19 | C18 | C17 | H12 | 120.8° | 120.0° |
| C19 | C18 | C17 | H13 | 120.8° | 120.0° |
| C19 | C18 | C17 | C16 | 85.2° | 89.7° |
| C19 | C18 | C17 | S36 | 92.2° | 90.0° |
| C18 | C19 | C35 | C23 | 179.2° | 180.0° |
| C18 | C19 | C35 | H8 | 0.8° | 0.1° |
| C19 | C18 | H12 | H13 | 117.4° | 120.0° |
| C18 | C19 | C20 | H17 | 0.8° | 0.4° |
| C35 | C19 | C18 | C17 | 45.5° | 90.0° |
| C19 | C35 | C23 | H8 | 180.0° | 179.9° |
| C19 | C35 | C23 | O24 | 179.8° | 180.0° |
| C35 | C19 | C18 | H12 | 166.3° | 150.0° |
| C35 | C19 | C18 | H13 | 75.3° | 29.9° |
| C35 | C19 | C20 | H17 | 180.0° | 179.8° |
| C18 | C17 | C16 | S36 | 177.7° | 179.7° |
| C18 | C17 | C16 | N15 | 177.6° | 179.8° |
| C18 | C17 | S36 | C14 | 177.6° | 179.7° |
| C18 | C17 | C16 | H9 | 2.5° | 0.2° |
| C17 | C18 | H12 | H13 | 117.4° | 120.0° |
| C17 | C16 | N15 | H9 | 180.0° | 180.0° |
| C17 | C16 | N15 | C14 | 0.1° | 0.1° |
| C16 | C17 | S36 | C14 | 0.2° | 0.0° |
| C16 | C17 | C18 | H12 | 35.7° | 30.3° |
| C16 | C17 | C18 | H13 | 154.0° | 150.3° |
| N15 | C16 | C17 | S36 | 0.2° | 0.0° |
| C16 | N15 | C14 | S36 | 0.1° | 0.0° |
| C16 | N15 | C14 | N13 | 175.7° | 180.0° |
| C17 | S36 | C14 | N15 | 0.1° | 0.0° |
| C17 | S36 | C14 | N13 | 175.4° | 180.0° |
| S36 | C17 | C16 | H9 | 179.8° | 179.9° |
| S36 | C17 | C18 | H12 | 147.0° | 150.1° |
| S36 | C17 | C18 | H13 | 28.6° | 30.0° |
| C35 | C23 | O24 | C25 | 163.1° | 180.0° |
| C35 | C23 | C22 | H3 | 179.9° | 180.0° |
| C23 | O24 | C25 | C26 | 84.7° | 180.0° |
| C23 | O24 | C25 | H1 | 34.9° | 59.9° |
| C23 | O24 | C25 | H2 | 155.8° | 60.0° |
| O24 | C23 | C22 | H3 | 0.2° | 0.4° |
| O24 | C23 | C35 | H8 | 0.2° | 0.0° |
| N15 | C14 | S36 | N13 | 175.6° | 180.0° |
| N15 | C14 | N13 | C2 | 178.4° | 0.1° |
| C14 | N15 | C16 | H9 | 179.9° | 179.9° |
| N15 | C14 | N13 | H27 | 1.6° | 180.0° |
| C29 | C30 | O31 | H21 | 119.9° | 120.0° |
| C29 | C30 | O31 | H22 | 119.8° | 120.0° |
| C30 | C29 | N28 | C27 | 79.3° | 125.0° |
| C30 | C29 | N28 | H19 | 120.4° | 120.0° |
| C30 | C29 | N28 | H20 | 120.3° | 120.0° |
| C29 | C30 | O31 | C32 | 173.5° | 180.0° |
| C30 | C29 | N28 | N33 | 101.4° | 54.9° |
| C30 | C29 | H19 | H20 | 119.0° | 120.0° |
| C29 | C30 | H21 | H22 | 120.5° | 120.0° |
| O31 | C30 | C29 | N28 | 72.1° | 180.0° |
| C30 | O31 | C32 | H5 | 180.0° | 60.0° |
| C30 | O31 | C32 | H6 | 60.0° | 180.0° |
| C30 | O31 | C32 | H7 | 60.0° | 60.0° |
| O31 | C30 | C29 | H19 | 48.3° | 60.0° |
| O31 | C30 | C29 | H20 | 167.6° | 60.0° |
| O31 | C30 | H21 | H22 | 120.5° | 120.0° |
| N28 | C27 | C26 | H18 | 180.0° | 180.0° |
| C27 | N28 | C29 | N33 | 179.3° | 179.9° |
| N28 | C27 | C26 | C25 | 179.5° | 180.0° |
| N28 | C27 | C26 | N34 | 0.1° | 0.3° |
| C27 | N28 | N33 | N34 | 0.0° | 0.2° |
| C27 | N28 | C29 | H19 | 160.4° | 5.0° |
| C27 | N28 | C29 | H20 | 41.1° | 115.0° |
| C26 | C27 | N28 | C29 | 179.3° | 179.9° |
| C27 | C26 | C25 | O24 | 95.3° | 0.2° |
| C27 | C26 | C25 | N34 | 179.3° | 179.7° |
| C26 | C27 | N28 | N33 | 0.0° | 0.1° |
| C27 | C26 | N34 | N33 | 0.1° | 0.4° |
| C27 | C26 | C25 | H1 | 24.2° | 120.3° |
| C27 | C26 | C25 | H2 | 145.1° | 119.7° |
| C8 | C7 | C9 | N6 | 178.6° | 179.7° |
| C8 | C7 | C9 | C10 | 178.4° | 180.0° |
| C8 | C7 | N6 | C5 | 178.5° | 179.8° |
| C7 | C8 | H23 | H24 | 120.0° | 120.0° |
| C7 | C8 | H23 | H25 | 120.0° | 120.0° |
| C7 | C8 | H24 | H25 | 120.0° | 120.0° |
| C8 | C7 | C9 | H26 | 1.6° | 0.3° |
| C29 | N28 | N33 | N34 | 179.4° | 179.7° |
| C29 | N28 | C27 | H18 | 0.7° | 0.1° |
| N28 | C29 | H19 | H20 | 118.9° | 120.0° |
| N28 | C29 | C30 | H21 | 47.8° | 60.0° |
| N28 | C29 | C30 | H22 | 168.1° | 59.9° |
| O24 | C25 | C26 | H1 | 119.6° | 120.0° |
| O24 | C25 | C26 | H2 | 119.5° | 120.0° |
| O24 | C25 | C26 | N34 | 84.0° | 180.0° |
| O24 | C25 | H1 | H2 | 121.3° | 120.0° |
| C25 | C26 | N34 | N33 | 179.5° | 179.8° |
| C26 | C25 | H1 | H2 | 121.3° | 120.0° |
| C25 | C26 | C27 | H18 | 0.5° | 0.0° |
| O31 | C32 | H5 | H6 | 120.0° | 120.0° |
| O31 | C32 | H5 | H7 | 120.0° | 120.0° |
| O31 | C32 | H6 | H7 | 120.0° | 120.0° |
| C32 | O31 | C30 | H21 | 53.6° | 60.0° |
| C32 | O31 | C30 | H22 | 66.7° | 59.9° |
| N28 | N33 | N34 | C26 | 0.0° | 0.4° |
| N33 | N28 | C27 | H18 | 180.0° | 180.0° |
| N33 | N28 | C29 | H19 | 18.9° | 174.9° |
| N33 | N28 | C29 | H20 | 138.2° | 65.1° |
| N34 | C26 | C25 | H1 | 156.4° | 60.0° |
| N34 | C26 | C25 | H2 | 35.5° | 60.0° |
| N34 | C26 | C27 | H18 | 179.9° | 179.7° |
| S36 | C14 | N13 | C2 | 6.3° | 180.0° |
| S36 | C14 | N13 | H27 | 173.7° | 0.1° |
| C14 | N13 | C2 | H27 | 180.0° | 179.9° |
| C14 | N13 | C2 | O1 | 5.9° | 0.0° |
| C14 | N13 | C2 | C3 | 177.7° | 180.0° |
| C7 | C9 | C10 | H26 | 180.0° | 179.7° |
| C9 | C7 | N6 | C5 | 0.1° | 0.1° |
| C7 | C9 | C10 | C11 | 179.6° | 180.0° |
| C7 | C9 | C10 | N12 | 0.0° | 0.5° |
| C9 | C7 | C8 | H23 | 178.6° | 89.9° |
| C9 | C7 | C8 | H24 | 61.4° | 150.0° |
| C9 | C7 | C8 | H25 | 58.6° | 30.0° |
| N6 | C7 | C9 | C10 | 0.1° | 0.3° |
| C7 | N6 | C5 | N12 | 0.1° | 0.1° |
| C7 | N6 | C5 | S4 | 177.4° | 179.7° |
| N6 | C7 | C8 | H23 | 0.0° | 89.8° |
| N6 | C7 | C8 | H24 | 120.0° | 30.3° |
| N6 | C7 | C8 | H25 | 120.0° | 150.3° |
| N6 | C7 | C9 | H26 | 179.9° | 180.0° |
| C9 | C10 | C11 | N12 | 179.6° | 179.5° |
| C9 | C10 | N12 | C5 | 0.2° | 0.5° |
| C9 | C10 | C11 | H14 | 179.6° | 89.5° |
| C9 | C10 | C11 | H15 | 60.4° | 30.5° |
| C9 | C10 | C11 | H16 | 59.6° | 150.5° |
| N13 | C2 | O1 | C3 | 176.2° | 180.0° |
| N13 | C2 | C3 | S4 | 76.5° | 180.0° |
| N13 | C2 | C3 | H10 | 44.5° | 60.0° |
| N13 | C2 | C3 | H11 | 162.4° | 60.0° |
| N6 | C5 | N12 | C10 | 0.2° | 0.3° |
| N6 | C5 | N12 | S4 | 177.5° | 179.6° |
| N6 | C5 | S4 | C3 | 16.3° | 0.3° |
| C11 | C10 | N12 | C5 | 179.4° | 180.0° |
| C10 | C11 | H14 | H15 | 120.0° | 120.0° |
| C10 | C11 | H14 | H16 | 120.0° | 120.0° |
| C10 | C11 | H15 | H16 | 120.0° | 120.0° |
| C11 | C10 | C9 | H26 | 0.4° | 0.3° |
| C10 | N12 | C5 | S4 | 177.3° | 180.0° |
| N12 | C10 | C11 | H14 | 0.0° | 90.0° |
| N12 | C10 | C11 | H15 | 120.0° | 150.0° |
| N12 | C10 | C11 | H16 | 120.0° | 30.0° |
| N12 | C10 | C9 | H26 | 180.0° | 179.8° |
| O1 | C2 | C3 | S4 | 107.0° | 0.0° |
| O1 | C2 | C3 | H10 | 132.0° | 120.0° |
| O1 | C2 | C3 | H11 | 14.1° | 120.0° |
| O1 | C2 | N13 | H27 | 174.1° | 180.0° |
| C2 | C3 | S4 | C5 | 86.5° | 180.0° |
| C2 | C3 | S4 | H10 | 121.0° | 120.0° |
| C2 | C3 | S4 | H11 | 121.0° | 120.0° |
| C2 | C3 | H10 | H11 | 116.7° | 120.0° |
| C3 | C2 | N13 | H27 | 2.3° | 0.0° |
| N12 | C5 | S4 | C3 | 161.5° | 180.0° |
| C5 | S4 | C3 | H10 | 34.6° | 60.0° |
| C5 | S4 | C3 | H11 | 152.5° | 60.0° |
| S4 | C3 | H10 | H11 | 116.8° | 120.0° |
| H3 | C22 | C21 | H4 | 0.1° | 0.0° |
| H4 | C21 | C20 | H17 | 0.0° | 0.1° |
| H5 | C32 | H6 | H7 | 120.0° | 120.0° |
| H14 | C11 | H15 | H16 | 120.0° | 120.0° |
| H19 | C29 | C30 | H21 | 168.1° | 60.0° |
| H19 | C29 | C30 | H22 | 71.5° | 179.9° |
| H20 | C29 | C30 | H21 | 72.6° | 180.0° |
| H20 | C29 | C30 | H22 | 47.8° | 60.1° |
| H23 | C8 | H24 | H25 | 120.0° | 120.0° |
