JV0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | N1 | sing | 1.37Å | 1.35Å | Aromatic |
| C7 | C9 | doub | 1.35Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.40Å | 1.37Å | |
| N1 | C16 | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | C24 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C11 | sing | 1.47Å | 1.46Å | |
| N2 | C14 | sing | 1.46Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | S1 | sing | 1.82Å | 1.77Å | |
| S1 | C13 | sing | 1.82Å | 1.77Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | doub | 1.36Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.41Å | |
| C17 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | S2 | sing | 1.76Å | 1.70Å | |
| S2 | C21 | sing | 1.81Å | 1.77Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C8 | H83C | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | N1 | 129.2° | 125.8° |
| C8 | C7 | C9 | 124.7° | 125.8° |
| C7 | C8 | H81C | 109.5° | 109.5° |
| C7 | C8 | H82C | 109.5° | 109.4° |
| C7 | C8 | H83C | 109.4° | 109.4° |
| N1 | C7 | C9 | 106.1° | 108.5° |
| C7 | N1 | C6 | 119.8° | 125.8° |
| C7 | N1 | C16 | 112.4° | 108.5° |
| C7 | C9 | C10 | 127.9° | 126.1° |
| C7 | C9 | C15 | 107.3° | 107.8° |
| C6 | N1 | C16 | 127.7° | 125.8° |
| N1 | C6 | C24 | 122.0° | 120.1° |
| N1 | C6 | C5 | 125.8° | 120.0° |
| N1 | C16 | C15 | 104.5° | 107.9° |
| N1 | C16 | C17 | 136.4° | 126.0° |
| C24 | C6 | C5 | 112.2° | 119.8° |
| C6 | C24 | C25 | 125.4° | 120.0° |
| C6 | C24 | H24 | 117.3° | 120.0° |
| C6 | C5 | C4 | 124.6° | 120.0° |
| C6 | C5 | H5 | 117.7° | 120.0° |
| C24 | C25 | C3 | 119.5° | 120.0° |
| C25 | C24 | H24 | 117.3° | 120.0° |
| C24 | C25 | H25 | 120.2° | 120.0° |
| C25 | C3 | C2 | 120.6° | 119.9° |
| C25 | C3 | C4 | 118.3° | 120.1° |
| C3 | C25 | H25 | 120.3° | 120.0° |
| C2 | C3 | C4 | 121.1° | 120.0° |
| C3 | C2 | C1 | 110.4° | 109.4° |
| C3 | C2 | H21C | 109.2° | 109.4° |
| C3 | C2 | H22C | 109.2° | 109.5° |
| C3 | C4 | C5 | 120.0° | 120.1° |
| C3 | C4 | H4 | 120.0° | 119.9° |
| C1 | C2 | H21C | 109.2° | 109.5° |
| C1 | C2 | H22C | 109.2° | 109.4° |
| C2 | C1 | H11C | 109.5° | 109.5° |
| C2 | C1 | H12C | 109.5° | 109.4° |
| C2 | C1 | H13C | 109.5° | 109.5° |
| C4 | C5 | H5 | 117.7° | 120.0° |
| C5 | C4 | H4 | 120.0° | 120.0° |
| C10 | C9 | C15 | 124.8° | 126.1° |
| C9 | C10 | N2 | 110.4° | 109.5° |
| C9 | C10 | H101 | 109.3° | 109.4° |
| C9 | C10 | H102 | 109.2° | 109.4° |
| C9 | C15 | C16 | 109.7° | 107.4° |
| C9 | C15 | H15 | 125.2° | 126.4° |
| C10 | N2 | C11 | 119.6° | 111.0° |
| C10 | N2 | C14 | 121.9° | 111.0° |
| N2 | C10 | H101 | 109.2° | 109.5° |
| N2 | C10 | H102 | 109.2° | 109.5° |
| C11 | N2 | C14 | 118.5° | 112.6° |
| N2 | C11 | C12 | 107.6° | 109.8° |
| N2 | C11 | H111 | 109.9° | 109.4° |
| N2 | C11 | H112 | 109.9° | 109.4° |
| N2 | C14 | C13 | 107.5° | 109.9° |
| N2 | C14 | H141 | 110.0° | 109.5° |
| N2 | C14 | H142 | 110.0° | 109.4° |
| C11 | C12 | S1 | 114.9° | 108.5° |
| C12 | C11 | H111 | 109.9° | 109.4° |
| C12 | C11 | H112 | 109.9° | 109.4° |
| C11 | C12 | H121 | 108.1° | 109.6° |
| C11 | C12 | H122 | 108.1° | 109.7° |
| C12 | S1 | C13 | 113.9° | 101.9° |
| S1 | C12 | H121 | 108.1° | 109.6° |
| S1 | C12 | H122 | 108.1° | 109.7° |
| S1 | C13 | C14 | 113.5° | 108.5° |
| S1 | C13 | H131 | 108.5° | 109.6° |
| S1 | C13 | H132 | 108.5° | 109.6° |
| C13 | C14 | H141 | 110.0° | 109.4° |
| C13 | C14 | H142 | 110.0° | 109.4° |
| C14 | C13 | H131 | 108.4° | 109.6° |
| C14 | C13 | H132 | 108.4° | 109.6° |
| C15 | C16 | C17 | 119.1° | 126.1° |
| C16 | C15 | H15 | 125.2° | 126.3° |
| C16 | C17 | C18 | 116.3° | 120.0° |
| C16 | C17 | C23 | 125.3° | 120.1° |
| C18 | C17 | C23 | 118.3° | 119.9° |
| C17 | C18 | C19 | 121.2° | 119.9° |
| C17 | C18 | H18 | 119.4° | 120.1° |
| C17 | C23 | C22 | 120.9° | 119.9° |
| C17 | C23 | H23 | 119.6° | 120.0° |
| C18 | C19 | C20 | 120.0° | 120.1° |
| C19 | C18 | H18 | 119.4° | 120.0° |
| C18 | C19 | H19 | 120.0° | 120.0° |
| C19 | C20 | C22 | 119.6° | 120.1° |
| C19 | C20 | S2 | 120.3° | 120.0° |
| C20 | C19 | H19 | 120.0° | 120.0° |
| C23 | C22 | C20 | 120.0° | 120.1° |
| C22 | C23 | H23 | 119.6° | 120.0° |
| C23 | C22 | H22 | 120.0° | 120.0° |
| C22 | C20 | S2 | 120.2° | 119.9° |
| C20 | C22 | H22 | 120.0° | 119.9° |
| C20 | S2 | C21 | 111.7° | 103.0° |
| S2 | C21 | H211 | 109.5° | 109.5° |
| S2 | C21 | H212 | 109.4° | 109.5° |
| S2 | C21 | H213 | 109.5° | 109.5° |
| H81C | C8 | H82C | 109.4° | 109.6° |
| H81C | C8 | H83C | 109.5° | 109.5° |
| H82C | C8 | H83C | 109.5° | 109.5° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.4° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.3° |
| H121 | C12 | H122 | 109.5° | 109.8° |
| H131 | C13 | H132 | 109.5° | 109.8° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.4° |
| H212 | C21 | H213 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | N1 | C9 | 179.8° | 179.8° |
| C8 | C7 | N1 | C6 | 0.1° | 0.1° |
| C8 | C7 | N1 | C16 | 180.0° | 180.0° |
| C8 | C7 | C9 | C10 | 1.1° | 0.0° |
| C8 | C7 | C9 | C15 | 179.9° | 180.0° |
| C7 | C8 | H81C | H82C | 120.0° | 120.0° |
| C7 | C8 | H81C | H83C | 120.0° | 119.9° |
| C7 | C8 | H82C | H83C | 120.0° | 119.9° |
| C7 | N1 | C6 | C16 | 179.9° | 179.9° |
| C7 | N1 | C6 | C24 | 0.0° | 112.2° |
| C7 | N1 | C6 | C5 | 180.0° | 68.0° |
| N1 | C7 | C9 | C10 | 179.1° | 179.8° |
| N1 | C7 | C9 | C15 | 0.3° | 0.2° |
| C7 | N1 | C16 | C15 | 0.0° | 0.1° |
| C7 | N1 | C16 | C17 | 179.9° | 180.0° |
| N1 | C7 | C8 | H81C | 89.9° | 89.9° |
| N1 | C7 | C8 | H82C | 150.1° | 150.0° |
| N1 | C7 | C8 | H83C | 30.1° | 30.1° |
| C9 | C7 | N1 | C6 | 179.8° | 179.7° |
| C9 | C7 | N1 | C16 | 0.2° | 0.2° |
| C7 | C9 | C10 | C15 | 178.6° | 179.9° |
| C7 | C9 | C10 | N2 | 85.9° | 80.0° |
| C7 | C9 | C15 | C16 | 0.3° | 0.2° |
| C9 | C7 | C8 | H81C | 89.9° | 90.3° |
| C9 | C7 | C8 | H82C | 30.1° | 29.8° |
| C9 | C7 | C8 | H83C | 150.1° | 149.7° |
| C7 | C9 | C10 | H101 | 34.2° | 160.0° |
| C7 | C9 | C10 | H102 | 154.0° | 40.0° |
| C7 | C9 | C15 | H15 | 179.7° | 180.0° |
| N1 | C6 | C24 | C5 | 180.0° | 179.7° |
| N1 | C6 | C24 | C25 | 179.9° | 180.0° |
| N1 | C6 | C5 | C4 | 179.9° | 179.7° |
| C6 | N1 | C16 | C15 | 180.0° | 179.8° |
| C6 | N1 | C16 | C17 | 0.1° | 0.1° |
| N1 | C6 | C24 | H24 | 0.1° | 0.0° |
| N1 | C6 | C5 | H5 | 0.1° | 0.0° |
| C16 | N1 | C6 | C24 | 180.0° | 67.6° |
| C16 | N1 | C6 | C5 | 0.0° | 112.1° |
| N1 | C16 | C15 | C9 | 0.2° | 0.1° |
| N1 | C16 | C15 | C17 | 179.9° | 179.9° |
| N1 | C16 | C17 | C18 | 180.0° | 160.0° |
| N1 | C16 | C17 | C23 | 0.1° | 20.3° |
| N1 | C16 | C15 | H15 | 179.8° | 179.8° |
| C6 | C24 | C25 | H24 | 180.0° | 179.9° |
| C6 | C24 | C25 | C3 | 0.2° | 0.1° |
| C24 | C6 | C5 | C4 | 0.1° | 0.6° |
| C24 | C6 | C5 | H5 | 179.9° | 179.7° |
| C6 | C24 | C25 | H25 | 179.8° | 180.0° |
| C5 | C6 | C24 | C25 | 0.1° | 0.3° |
| C6 | C5 | C4 | C3 | 0.2° | 0.6° |
| C6 | C5 | C4 | H5 | 180.0° | 179.8° |
| C5 | C6 | C24 | H24 | 179.9° | 179.7° |
| C6 | C5 | C4 | H4 | 179.8° | 179.8° |
| C24 | C25 | C3 | H25 | 180.0° | 179.9° |
| C24 | C25 | C3 | C2 | 179.9° | 180.0° |
| C24 | C25 | C3 | C4 | 0.3° | 0.1° |
| C25 | C3 | C2 | C4 | 179.8° | 179.9° |
| C25 | C3 | C2 | C1 | 89.1° | 90.0° |
| C25 | C3 | C4 | C5 | 0.3° | 0.3° |
| C3 | C25 | C24 | H24 | 179.8° | 180.0° |
| C25 | C3 | C2 | H21C | 150.8° | 149.9° |
| C25 | C3 | C2 | H22C | 31.1° | 29.9° |
| C25 | C3 | C4 | H4 | 179.7° | 180.0° |
| C3 | C2 | C1 | H21C | 120.1° | 120.0° |
| C3 | C2 | C1 | H22C | 120.1° | 120.0° |
| C2 | C3 | C4 | C5 | 179.9° | 179.7° |
| C2 | C3 | C25 | H25 | 0.1° | 0.0° |
| C3 | C2 | H21C | H22C | 119.5° | 120.0° |
| C2 | C3 | C4 | H4 | 0.1° | 0.1° |
| C3 | C2 | C1 | H11C | 180.0° | 60.0° |
| C3 | C2 | C1 | H12C | 60.0° | 60.0° |
| C3 | C2 | C1 | H13C | 60.0° | 180.0° |
| C4 | C3 | C2 | C1 | 91.2° | 90.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | H5 | 179.8° | 179.7° |
| C4 | C3 | C25 | H25 | 179.7° | 180.0° |
| C4 | C3 | C2 | H21C | 29.0° | 30.0° |
| C4 | C3 | C2 | H22C | 148.7° | 150.0° |
| C1 | C2 | H21C | H22C | 119.6° | 120.0° |
| C2 | C1 | H11C | H12C | 120.0° | 120.0° |
| C2 | C1 | H11C | H13C | 120.0° | 120.0° |
| C2 | C1 | H12C | H13C | 120.0° | 120.0° |
| C9 | C10 | N2 | H101 | 120.1° | 120.0° |
| C9 | C10 | N2 | H102 | 120.1° | 120.0° |
| C9 | C10 | N2 | C11 | 138.4° | 170.0° |
| C9 | C10 | N2 | C14 | 42.0° | 44.0° |
| C10 | C9 | C15 | C16 | 179.2° | 179.9° |
| C9 | C10 | H101 | H102 | 119.6° | 120.0° |
| C10 | C9 | C15 | H15 | 0.9° | 0.1° |
| C15 | C9 | C10 | N2 | 92.7° | 99.9° |
| C9 | C15 | C16 | H15 | 180.0° | 179.8° |
| C9 | C15 | C16 | C17 | 179.7° | 179.8° |
| C15 | C9 | C10 | H101 | 147.2° | 20.0° |
| C15 | C9 | C10 | H102 | 27.4° | 140.0° |
| C10 | N2 | C11 | C14 | 179.6° | 125.1° |
| C10 | N2 | C11 | C12 | 105.1° | 162.2° |
| C10 | N2 | C14 | C13 | 101.5° | 162.2° |
| N2 | C10 | H101 | H102 | 119.6° | 120.0° |
| C10 | N2 | C11 | H111 | 14.5° | 77.7° |
| C10 | N2 | C11 | H112 | 135.2° | 42.1° |
| C10 | N2 | C14 | H141 | 138.8° | 42.1° |
| C10 | N2 | C14 | H142 | 18.2° | 77.6° |
| N2 | C11 | C12 | H111 | 119.7° | 120.1° |
| N2 | C11 | C12 | H112 | 119.7° | 120.1° |
| N2 | C11 | C12 | S1 | 23.8° | 62.0° |
| C11 | N2 | C14 | C13 | 78.9° | 72.6° |
| C11 | N2 | C10 | H101 | 18.3° | 50.0° |
| C11 | N2 | C10 | H102 | 101.4° | 70.0° |
| N2 | C11 | H111 | H112 | 120.9° | 119.8° |
| C11 | N2 | C14 | H141 | 40.8° | 167.2° |
| C11 | N2 | C14 | H142 | 161.4° | 47.5° |
| N2 | C11 | C12 | H121 | 97.0° | 178.3° |
| N2 | C11 | C12 | H122 | 144.6° | 57.8° |
| C14 | N2 | C11 | C12 | 75.3° | 72.7° |
| N2 | C14 | C13 | S1 | 29.1° | 62.0° |
| N2 | C14 | C13 | H141 | 119.7° | 120.2° |
| N2 | C14 | C13 | H142 | 119.7° | 120.1° |
| C14 | N2 | C10 | H101 | 162.1° | 76.0° |
| C14 | N2 | C10 | H102 | 78.1° | 164.0° |
| C14 | N2 | C11 | H111 | 165.0° | 47.4° |
| C14 | N2 | C11 | H112 | 44.4° | 167.2° |
| N2 | C14 | H141 | H142 | 120.9° | 119.8° |
| N2 | C14 | C13 | H131 | 91.5° | 178.3° |
| N2 | C14 | C13 | H132 | 149.7° | 57.7° |
| C11 | C12 | S1 | H121 | 120.8° | 119.7° |
| C11 | C12 | S1 | H122 | 120.8° | 119.8° |
| C11 | C12 | S1 | C13 | 8.3° | 51.3° |
| C12 | C11 | H111 | H112 | 120.9° | 119.9° |
| C11 | C12 | H121 | H122 | 117.5° | 120.5° |
| C12 | S1 | C13 | C14 | 5.4° | 51.3° |
| S1 | C12 | C11 | H111 | 143.5° | 58.1° |
| S1 | C12 | C11 | H112 | 95.8° | 177.9° |
| S1 | C12 | H121 | H122 | 117.5° | 120.5° |
| C12 | S1 | C13 | H131 | 126.0° | 171.0° |
| C12 | S1 | C13 | H132 | 115.2° | 68.4° |
| S1 | C13 | C14 | H131 | 120.6° | 119.7° |
| S1 | C13 | C14 | H132 | 120.6° | 119.7° |
| S1 | C13 | C14 | H141 | 90.5° | 177.8° |
| S1 | C13 | C14 | H142 | 148.9° | 58.2° |
| C13 | S1 | C12 | H121 | 129.1° | 171.0° |
| C13 | S1 | C12 | H122 | 112.5° | 68.5° |
| S1 | C13 | H131 | H132 | 118.2° | 120.5° |
| C13 | C14 | H141 | H142 | 120.9° | 119.7° |
| C14 | C13 | H131 | H132 | 118.1° | 120.5° |
| C15 | C16 | C17 | C18 | 0.0° | 19.8° |
| C15 | C16 | C17 | C23 | 180.0° | 159.9° |
| C16 | C17 | C18 | C23 | 179.9° | 179.7° |
| C16 | C17 | C18 | C19 | 180.0° | 180.0° |
| C16 | C17 | C23 | C22 | 179.9° | 179.9° |
| C17 | C16 | C15 | H15 | 0.2° | 0.1° |
| C16 | C17 | C18 | H18 | 0.0° | 0.1° |
| C16 | C17 | C23 | H23 | 0.1° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C17 | C23 | C22 | 0.1° | 0.3° |
| C18 | C17 | C23 | H23 | 179.8° | 179.6° |
| C17 | C18 | C19 | H19 | 180.0° | 179.9° |
| C23 | C17 | C18 | C19 | 0.1° | 0.3° |
| C17 | C23 | C22 | H23 | 180.0° | 179.9° |
| C17 | C23 | C22 | C20 | 0.1° | 0.1° |
| C23 | C17 | C18 | H18 | 179.9° | 179.8° |
| C17 | C23 | C22 | H22 | 179.9° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C22 | 0.1° | 0.3° |
| C18 | C19 | C20 | S2 | 180.0° | 179.9° |
| C19 | C20 | C22 | C23 | 0.0° | 0.4° |
| C19 | C20 | C22 | S2 | 179.9° | 179.7° |
| C19 | C20 | S2 | C21 | 3.7° | 180.0° |
| C20 | C19 | C18 | H18 | 180.0° | 179.9° |
| C19 | C20 | C22 | H22 | 180.0° | 179.7° |
| C23 | C22 | C20 | H22 | 180.0° | 179.9° |
| C23 | C22 | C20 | S2 | 180.0° | 179.9° |
| C22 | C20 | S2 | C21 | 176.4° | 0.3° |
| C20 | C22 | C23 | H23 | 179.9° | 180.0° |
| C22 | C20 | C19 | H19 | 179.9° | 179.7° |
| S2 | C20 | C19 | H19 | 0.0° | 0.0° |
| S2 | C20 | C22 | H22 | 0.0° | 0.0° |
| C20 | S2 | C21 | H211 | 180.0° | 60.0° |
| C20 | S2 | C21 | H212 | 60.0° | 60.0° |
| C20 | S2 | C21 | H213 | 60.0° | 180.0° |
| S2 | C21 | H211 | H212 | 120.0° | 120.0° |
| S2 | C21 | H211 | H213 | 120.0° | 120.0° |
| S2 | C21 | H212 | H213 | 120.0° | 120.0° |
| H81C | C8 | H82C | H83C | 120.0° | 120.1° |
| H24 | C24 | C25 | H25 | 0.2° | 0.0° |
| H5 | C5 | C4 | H4 | 0.2° | 0.0° |
| H21C | C2 | C1 | H11C | 59.9° | 180.0° |
| H21C | C2 | C1 | H12C | 179.9° | 59.9° |
| H21C | C2 | C1 | H13C | 60.1° | 60.0° |
| H22C | C2 | C1 | H11C | 59.9° | 60.0° |
| H22C | C2 | C1 | H12C | 60.1° | NaN° |
| H22C | C2 | C1 | H13C | 179.9° | 60.1° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H111 | C11 | C12 | H121 | 22.7° | 61.6° |
| H111 | C11 | C12 | H122 | 95.7° | 177.9° |
| H112 | C11 | C12 | H121 | 143.4° | 58.2° |
| H112 | C11 | C12 | H122 | 25.0° | 62.3° |
| H141 | C14 | C13 | H131 | 148.8° | 58.1° |
| H141 | C14 | C13 | H132 | 30.0° | 62.5° |
| H142 | C14 | C13 | H131 | 28.2° | 61.6° |
| H142 | C14 | C13 | H132 | 90.6° | 177.8° |
| H18 | C18 | C19 | H19 | 0.0° | 0.1° |
| H23 | C23 | C22 | H22 | 0.1° | 0.1° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
