LH3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C31 | doub | 1.22Å | 1.22Å | |
| C31 | N3 | sing | 1.34Å | 1.35Å | |
| C31 | N2 | sing | 1.34Å | 1.35Å | |
| N3 | C | sing | 1.47Å | 1.46Å | |
| C | C30 | sing | 1.53Å | 1.56Å | |
| C | C1 | sing | 1.54Å | 1.57Å | |
| N2 | C30 | sing | 1.47Å | 1.45Å | |
| C30 | C2 | sing | 1.54Å | 1.54Å | |
| C2 | S | sing | 1.84Å | 1.82Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| S | C1 | sing | 1.84Å | 1.79Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | O | doub | 1.21Å | 1.22Å | |
| C7 | N | sing | 1.35Å | 1.33Å | |
| N | N1 | sing | 1.40Å | 1.40Å | |
| N1 | C8 | sing | 1.39Å | 1.42Å | |
| C8 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.49Å | |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.37Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C20 | sing | 1.48Å | 1.49Å | |
| C17 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | O2 | sing | 1.35Å | 1.33Å | |
| C20 | O1 | doub | 1.22Å | 1.20Å | |
| O2 | C21 | sing | 1.45Å | 1.45Å | |
| C16 | C15 | sing | 1.37Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C22 | sing | 1.48Å | 1.49Å | |
| C22 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.37Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C25 | C28 | sing | 1.48Å | 1.49Å | |
| C24 | C23 | sing | 1.37Å | 1.38Å | Aromatic |
| C28 | O3 | doub | 1.21Å | 1.20Å | |
| C28 | O4 | sing | 1.35Å | 1.32Å | |
| O4 | C29 | sing | 1.45Å | 1.44Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C2 | HA | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| N | HB | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | 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 | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C31 | N3 | 125.9° | 123.1° |
| O5 | C31 | N2 | 125.2° | 123.1° |
| N3 | C31 | N2 | 108.9° | 113.9° |
| C31 | N3 | C | 112.7° | 109.1° |
| C31 | N3 | H3 | 123.6° | 125.5° |
| C31 | N2 | C30 | 113.0° | 109.1° |
| C31 | N2 | H2 | 123.5° | 125.5° |
| N3 | C | C30 | 102.6° | 104.0° |
| N3 | C | C1 | 114.9° | 109.3° |
| C | N3 | H3 | 123.7° | 125.4° |
| N3 | C | H | 111.4° | 110.2° |
| C30 | C | C1 | 107.8° | 112.4° |
| C | C30 | N2 | 102.8° | 104.0° |
| C | C30 | C2 | 107.3° | 112.4° |
| C30 | C | H | 110.0° | 110.2° |
| C | C30 | H30 | 110.2° | 110.2° |
| C | C1 | S | 104.2° | 102.7° |
| C1 | C | H | 109.8° | 110.5° |
| C | C1 | H11C | 110.7° | 110.8° |
| C | C1 | H12C | 110.8° | 110.8° |
| N2 | C30 | C2 | 113.7° | 109.0° |
| C30 | N2 | H2 | 123.5° | 125.4° |
| N2 | C30 | H30 | 111.8° | 110.5° |
| C30 | C2 | S | 105.1° | 102.7° |
| C30 | C2 | C3 | 114.0° | 110.8° |
| C2 | C30 | H30 | 110.6° | 110.5° |
| C30 | C2 | HA | 109.1° | 110.7° |
| S | C2 | C3 | 113.0° | 110.8° |
| C2 | S | C1 | 87.8° | 94.8° |
| S | C2 | HA | 106.0° | 110.8° |
| C2 | C3 | C4 | 114.1° | 109.4° |
| C3 | C2 | HA | 109.3° | 110.8° |
| C2 | C3 | H31C | 108.3° | 109.4° |
| C2 | C3 | H32C | 108.3° | 109.4° |
| S | C1 | H11C | 110.8° | 110.8° |
| S | C1 | H12C | 110.8° | 110.8° |
| C3 | C4 | C5 | 111.6° | 109.4° |
| C4 | C3 | H31C | 108.3° | 109.5° |
| C4 | C3 | H32C | 108.3° | 109.5° |
| C3 | C4 | H41C | 109.0° | 109.5° |
| C3 | C4 | H42C | 109.0° | 109.5° |
| C4 | C5 | C6 | 112.1° | 109.5° |
| C5 | C4 | H41C | 108.9° | 109.4° |
| C5 | C4 | H42C | 108.9° | 109.5° |
| C4 | C5 | H51C | 108.8° | 109.4° |
| C4 | C5 | H52C | 108.8° | 109.5° |
| C5 | C6 | C7 | 110.9° | 109.5° |
| C6 | C5 | H51C | 108.8° | 109.5° |
| C6 | C5 | H52C | 108.8° | 109.5° |
| C5 | C6 | H61C | 109.1° | 109.5° |
| C5 | C6 | H62C | 109.1° | 109.5° |
| C6 | C7 | O | 121.5° | 120.0° |
| C6 | C7 | N | 116.8° | 120.0° |
| C7 | C6 | H61C | 109.1° | 109.5° |
| C7 | C6 | H62C | 109.1° | 109.4° |
| O | C7 | N | 121.6° | 120.0° |
| C7 | N | N1 | 120.9° | 120.0° |
| C7 | N | HB | 119.6° | 120.0° |
| N | N1 | C8 | 120.5° | 120.0° |
| N1 | N | HB | 119.6° | 120.0° |
| N | N1 | H1 | 106.6° | 120.0° |
| N1 | C8 | C13 | 115.8° | 120.2° |
| N1 | C8 | C9 | 122.8° | 120.2° |
| C8 | N1 | H1 | 106.6° | 120.0° |
| C13 | C8 | C9 | 121.5° | 119.5° |
| C8 | C13 | C14 | 122.1° | 120.1° |
| C8 | C13 | C12 | 118.3° | 119.8° |
| C8 | C9 | C10 | 118.1° | 119.8° |
| C8 | C9 | C22 | 122.6° | 120.1° |
| C14 | C13 | C12 | 119.5° | 120.1° |
| C13 | C14 | C19 | 121.4° | 120.0° |
| C13 | C14 | C15 | 120.8° | 120.0° |
| C13 | C12 | C11 | 120.6° | 120.3° |
| C13 | C12 | H12 | 119.7° | 119.8° |
| C19 | C14 | C15 | 117.8° | 120.0° |
| C14 | C19 | C18 | 121.2° | 120.0° |
| C14 | C19 | H19 | 119.4° | 120.0° |
| C14 | C15 | C16 | 121.2° | 120.0° |
| C14 | C15 | H15 | 119.4° | 120.0° |
| C19 | C18 | C17 | 120.6° | 119.9° |
| C18 | C19 | H19 | 119.4° | 120.0° |
| C19 | C18 | H18 | 119.7° | 120.0° |
| C18 | C17 | C20 | 121.6° | 120.0° |
| C18 | C17 | C16 | 118.5° | 120.0° |
| C17 | C18 | H18 | 119.7° | 120.0° |
| C20 | C17 | C16 | 119.9° | 120.0° |
| C17 | C20 | O2 | 112.5° | 120.0° |
| C17 | C20 | O1 | 124.2° | 120.0° |
| C17 | C16 | C15 | 120.6° | 120.0° |
| C17 | C16 | H16 | 119.7° | 120.0° |
| O2 | C20 | O1 | 123.3° | 120.0° |
| C20 | O2 | C21 | 116.0° | 117.0° |
| O2 | C21 | H211 | 109.5° | 109.4° |
| O2 | C21 | H212 | 109.5° | 109.4° |
| O2 | C21 | H213 | 109.4° | 109.5° |
| C16 | C15 | H15 | 119.4° | 120.0° |
| C15 | C16 | H16 | 119.7° | 120.0° |
| C12 | C11 | C10 | 120.7° | 120.4° |
| C11 | C12 | H12 | 119.7° | 119.9° |
| C12 | C11 | H11 | 119.7° | 119.8° |
| C11 | C10 | C9 | 120.8° | 120.2° |
| C10 | C11 | H11 | 119.7° | 119.8° |
| C11 | C10 | H10 | 119.6° | 119.8° |
| C10 | C9 | C22 | 119.3° | 120.1° |
| C9 | C10 | H10 | 119.6° | 119.9° |
| C9 | C22 | C27 | 121.0° | 120.0° |
| C9 | C22 | C23 | 121.1° | 120.0° |
| C27 | C22 | C23 | 117.8° | 120.0° |
| C22 | C27 | C26 | 121.2° | 120.0° |
| C22 | C27 | H27 | 119.4° | 120.0° |
| C22 | C23 | C24 | 121.3° | 120.0° |
| C22 | C23 | H23 | 119.3° | 120.0° |
| C27 | C26 | C25 | 120.4° | 120.0° |
| C26 | C27 | H27 | 119.4° | 120.0° |
| C27 | C26 | H26 | 119.8° | 120.0° |
| C26 | C25 | C24 | 118.7° | 119.9° |
| C26 | C25 | C28 | 121.8° | 120.0° |
| C25 | C26 | H26 | 119.8° | 120.0° |
| C24 | C25 | C28 | 119.4° | 120.1° |
| C25 | C24 | C23 | 120.5° | 120.0° |
| C25 | C24 | H24 | 119.8° | 120.0° |
| C25 | C28 | O3 | 124.6° | 120.0° |
| C25 | C28 | O4 | 112.6° | 119.9° |
| C24 | C23 | H23 | 119.3° | 119.9° |
| C23 | C24 | H24 | 119.8° | 120.0° |
| O3 | C28 | O4 | 122.7° | 120.1° |
| C28 | O4 | C29 | 115.5° | 116.9° |
| O4 | C29 | H291 | 109.5° | 109.5° |
| O4 | C29 | H292 | 109.5° | 109.4° |
| O4 | C29 | H293 | 109.5° | 109.5° |
| H11C | C1 | H12C | 109.5° | 110.8° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H41C | C4 | H42C | 109.5° | 109.5° |
| H51C | C5 | H52C | 109.5° | 109.5° |
| H61C | C6 | H62C | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.4° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H291 | C29 | H293 | 109.4° | 109.5° |
| H292 | C29 | H293 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C31 | N3 | N2 | 179.7° | 179.8° |
| O5 | C31 | N3 | C | 179.9° | 180.0° |
| O5 | C31 | N2 | C30 | 179.0° | 179.9° |
| O5 | C31 | N3 | H3 | 0.1° | 0.0° |
| O5 | C31 | N2 | H2 | 1.0° | 0.0° |
| C31 | N3 | C | H3 | 180.0° | 179.9° |
| C31 | N3 | C | C30 | 1.2° | 0.1° |
| C31 | N3 | C | C1 | 115.5° | 120.2° |
| N3 | C31 | N2 | C30 | 0.6° | 0.4° |
| N3 | C31 | N2 | H2 | 179.3° | 179.8° |
| C31 | N3 | C | H | 118.8° | 118.2° |
| N2 | C31 | N3 | C | 0.4° | 0.2° |
| C31 | N2 | C30 | C | 1.3° | 0.4° |
| C31 | N2 | C30 | H2 | 180.0° | 179.9° |
| C31 | N2 | C30 | C2 | 117.0° | 120.5° |
| N2 | C31 | N3 | H3 | 179.6° | 179.7° |
| C31 | N2 | C30 | H30 | 116.9° | 117.9° |
| N3 | C | C30 | C1 | 121.7° | 118.1° |
| N3 | C | C30 | H | 118.6° | 118.2° |
| N3 | C | C1 | H | 126.5° | 121.5° |
| N3 | C | C30 | N2 | 1.4° | 0.3° |
| N3 | C | C30 | C2 | 121.6° | 118.1° |
| N3 | C | C1 | S | 80.0° | 90.3° |
| N3 | C | C30 | H30 | 117.9° | 118.2° |
| N3 | C | C1 | H11C | 160.9° | 151.4° |
| N3 | C | C1 | H12C | 39.2° | 28.0° |
| C30 | C | C1 | H | 119.8° | 123.6° |
| C | C30 | N2 | C2 | 115.7° | 120.1° |
| C | C30 | N2 | H30 | 118.2° | 118.3° |
| C | C30 | C2 | H30 | 120.3° | 123.6° |
| C | C30 | C2 | S | 33.1° | 24.6° |
| C | C30 | C2 | C3 | 157.3° | 142.9° |
| C30 | C | C1 | S | 33.7° | 24.7° |
| C30 | C | N3 | H3 | 178.8° | 180.0° |
| C | C30 | N2 | H2 | 178.7° | 179.7° |
| C30 | C | C1 | H11C | 85.4° | 93.7° |
| C30 | C | C1 | H12C | 152.9° | 142.9° |
| C | C30 | C2 | HA | 80.2° | 93.7° |
| C1 | C | C30 | N2 | 120.2° | 117.8° |
| C1 | C | C30 | C2 | 0.0° | 0.0° |
| C | C1 | S | C2 | 46.4° | 34.7° |
| C | C1 | S | H11C | 119.1° | 118.4° |
| C | C1 | S | H12C | 119.2° | 118.3° |
| C1 | C | N3 | H3 | 64.5° | 59.8° |
| C1 | C | C30 | H30 | 120.4° | 123.7° |
| C | C1 | H11C | H12C | 122.4° | 123.4° |
| N2 | C30 | C2 | H30 | 126.8° | 121.6° |
| N2 | C30 | C2 | S | 79.8° | 90.2° |
| N2 | C30 | C2 | C3 | 44.3° | 28.1° |
| N2 | C30 | C | H | 120.1° | 118.4° |
| N2 | C30 | C2 | HA | 166.8° | 151.5° |
| C30 | C2 | S | C3 | 124.8° | 118.3° |
| C30 | C2 | S | HA | 115.5° | 118.3° |
| C30 | C2 | C3 | HA | 122.4° | 123.3° |
| C30 | C2 | S | C1 | 47.2° | 34.7° |
| C30 | C2 | C3 | C4 | 163.4° | 175.0° |
| C2 | C30 | N2 | H2 | 63.0° | 59.7° |
| C2 | C30 | C | H | 119.7° | 123.8° |
| C30 | C2 | C3 | H31C | 75.9° | 65.0° |
| C30 | C2 | C3 | H32C | 42.7° | 55.0° |
| S | C2 | C3 | HA | 117.8° | 123.4° |
| S | C2 | C3 | C4 | 76.8° | 71.7° |
| S | C2 | C30 | H30 | 153.4° | 148.2° |
| C2 | S | C1 | H11C | 72.8° | 83.7° |
| C2 | S | C1 | H12C | 165.6° | 153.0° |
| S | C2 | C3 | H31C | 43.9° | 48.3° |
| S | C2 | C3 | H32C | 162.5° | 168.3° |
| C3 | C2 | S | C1 | 172.0° | 153.0° |
| C2 | C3 | C4 | H31C | 120.7° | 120.0° |
| C2 | C3 | C4 | H32C | 120.7° | 120.0° |
| C2 | C3 | C4 | C5 | 179.5° | 180.0° |
| C3 | C2 | C30 | H30 | 82.5° | 93.5° |
| C2 | C3 | H31C | H32C | 117.9° | 119.9° |
| C2 | C3 | C4 | H41C | 60.2° | 60.0° |
| C2 | C3 | C4 | H42C | 59.2° | 60.0° |
| S | C1 | C | H | 153.5° | 148.3° |
| S | C1 | H11C | H12C | 122.4° | 123.3° |
| C1 | S | C2 | HA | 68.3° | 83.6° |
| C3 | C4 | C5 | H41C | 120.3° | 120.0° |
| C3 | C4 | C5 | H42C | 120.3° | 120.0° |
| C3 | C4 | C5 | C6 | 172.2° | 180.0° |
| C4 | C3 | C2 | HA | 41.0° | 51.7° |
| C4 | C3 | H31C | H32C | 117.8° | 120.1° |
| C3 | C4 | H41C | H42C | 119.1° | 120.0° |
| C3 | C4 | C5 | H51C | 67.4° | 60.0° |
| C3 | C4 | C5 | H52C | 51.8° | 60.0° |
| C4 | C5 | C6 | H51C | 120.4° | 120.0° |
| C4 | C5 | C6 | H52C | 120.4° | 120.0° |
| C4 | C5 | C6 | C7 | 179.0° | 180.0° |
| C5 | C4 | C3 | H31C | 58.8° | 60.0° |
| C5 | C4 | C3 | H32C | 59.8° | 60.0° |
| C5 | C4 | H41C | H42C | 119.0° | 120.0° |
| C4 | C5 | H51C | H52C | 118.8° | 120.0° |
| C4 | C5 | C6 | H61C | 58.8° | 60.0° |
| C4 | C5 | C6 | H62C | 60.8° | 60.0° |
| C5 | C6 | C7 | H61C | 120.2° | 120.1° |
| C5 | C6 | C7 | H62C | 120.2° | 120.0° |
| C5 | C6 | C7 | O | 78.7° | 0.0° |
| C5 | C6 | C7 | N | 99.3° | 180.0° |
| C6 | C5 | C4 | H41C | 51.9° | 60.0° |
| C6 | C5 | C4 | H42C | 67.4° | 60.0° |
| C6 | C5 | H51C | H52C | 118.8° | 120.0° |
| C5 | C6 | H61C | H62C | 119.3° | 120.1° |
| C6 | C7 | O | N | 177.9° | 180.0° |
| C6 | C7 | N | N1 | 176.4° | 180.0° |
| C7 | C6 | C5 | H51C | 60.6° | 60.0° |
| C7 | C6 | C5 | H52C | 58.6° | 60.0° |
| C7 | C6 | H61C | H62C | 119.3° | 119.9° |
| C6 | C7 | N | HB | 3.6° | 0.1° |
| O | C7 | N | N1 | 1.6° | 0.0° |
| O | C7 | C6 | H61C | 161.0° | 120.0° |
| O | C7 | C6 | H62C | 41.5° | 120.0° |
| O | C7 | N | HB | 178.4° | 179.9° |
| C7 | N | N1 | HB | 180.0° | 179.9° |
| C7 | N | N1 | C8 | 141.4° | 174.7° |
| N | C7 | C6 | H61C | 21.0° | 60.0° |
| N | C7 | C6 | H62C | 140.5° | 60.0° |
| C7 | N | N1 | H1 | 97.0° | 5.4° |
| N | N1 | C8 | H1 | 121.5° | 180.0° |
| N | N1 | C8 | C13 | 126.8° | 145.8° |
| N | N1 | C8 | C9 | 53.4° | 34.5° |
| N1 | C8 | C13 | C9 | 179.7° | 179.7° |
| N1 | C8 | C13 | C14 | 1.7° | 0.0° |
| N1 | C8 | C13 | C12 | 179.2° | 179.9° |
| N1 | C8 | C9 | C10 | 179.6° | 179.8° |
| N1 | C8 | C9 | C22 | 1.6° | 0.0° |
| C8 | N1 | N | HB | 38.6° | 5.4° |
| C8 | C13 | C14 | C12 | 179.1° | 180.0° |
| C8 | C13 | C14 | C19 | 121.6° | 130.0° |
| C8 | C13 | C14 | C15 | 57.5° | 50.2° |
| C8 | C13 | C12 | C11 | 0.5° | 0.1° |
| C13 | C8 | C9 | C10 | 0.1° | 0.5° |
| C13 | C8 | C9 | C22 | 178.1° | 179.7° |
| C13 | C8 | N1 | H1 | 5.3° | 34.2° |
| C8 | C13 | C12 | H12 | 179.5° | 180.0° |
| C9 | C8 | C13 | C14 | 178.5° | 179.8° |
| C9 | C8 | C13 | C12 | 0.6° | 0.2° |
| C8 | C9 | C10 | C11 | 0.4° | 0.5° |
| C8 | C9 | C10 | C22 | 178.1° | 179.8° |
| C8 | C9 | C22 | C27 | 55.1° | 126.4° |
| C8 | C9 | C22 | C23 | 128.2° | 53.9° |
| C9 | C8 | N1 | H1 | 174.9° | 145.5° |
| C8 | C9 | C10 | H10 | 179.5° | 179.7° |
| C13 | C14 | C19 | C15 | 179.2° | 179.8° |
| C13 | C14 | C19 | C18 | 179.7° | 180.0° |
| C13 | C14 | C15 | C16 | 179.3° | 179.8° |
| C14 | C13 | C12 | C11 | 178.6° | 179.9° |
| C14 | C13 | C12 | H12 | 1.4° | 0.0° |
| C13 | C14 | C19 | H19 | 0.3° | 0.0° |
| C13 | C14 | C15 | H15 | 0.8° | 0.1° |
| C12 | C13 | C14 | C19 | 59.3° | 50.0° |
| C12 | C13 | C14 | C15 | 121.6° | 129.8° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.0° | 0.1° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| C14 | C19 | C18 | H19 | 180.0° | 180.0° |
| C14 | C19 | C18 | C17 | 0.4° | 0.0° |
| C19 | C14 | C15 | C16 | 0.1° | 0.4° |
| C19 | C14 | C15 | H15 | 179.9° | 179.7° |
| C14 | C19 | C18 | H18 | 179.6° | 180.0° |
| C15 | C14 | C19 | C18 | 0.5° | 0.2° |
| C14 | C15 | C16 | C17 | 0.5° | 0.4° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C15 | C14 | C19 | H19 | 179.5° | 179.8° |
| C14 | C15 | C16 | H16 | 179.5° | 179.7° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C19 | C18 | C17 | C20 | 178.2° | 180.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | C17 | C20 | C16 | 178.0° | 179.9° |
| C18 | C17 | C20 | O2 | 3.0° | 180.0° |
| C18 | C17 | C20 | O1 | 174.8° | 0.1° |
| C18 | C17 | C16 | C15 | 0.6° | 0.2° |
| C17 | C18 | C19 | H19 | 179.6° | 180.0° |
| C18 | C17 | C16 | H16 | 179.4° | 180.0° |
| C17 | C20 | O2 | O1 | 177.8° | 179.9° |
| C17 | C20 | O2 | C21 | 172.1° | 180.0° |
| C20 | C17 | C16 | C15 | 178.6° | 179.8° |
| C20 | C17 | C18 | H18 | 1.8° | 0.1° |
| C20 | C17 | C16 | H16 | 1.4° | 0.1° |
| C16 | C17 | C20 | O2 | 179.0° | 0.1° |
| C16 | C17 | C20 | O1 | 3.2° | 180.0° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | H15 | 179.5° | 179.7° |
| C16 | C17 | C18 | H18 | 179.8° | 180.0° |
| C20 | O2 | C21 | H211 | 180.0° | 60.0° |
| C20 | O2 | C21 | H212 | 60.0° | 59.9° |
| C20 | O2 | C21 | H213 | 60.0° | 180.0° |
| O1 | C20 | O2 | C21 | 5.8° | 0.1° |
| O2 | C21 | H211 | H212 | 120.0° | 119.9° |
| O2 | C21 | H211 | H213 | 120.0° | 120.0° |
| O2 | C21 | H212 | H213 | 120.0° | 120.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 0.5° | 0.2° |
| C12 | C11 | C10 | H10 | 179.5° | 180.0° |
| C11 | C10 | C9 | H10 | 180.0° | 179.7° |
| C11 | C10 | C9 | C22 | 177.7° | 179.7° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| C10 | C9 | C22 | C27 | 122.9° | 53.4° |
| C10 | C9 | C22 | C23 | 53.8° | 126.4° |
| C9 | C10 | C11 | H11 | 179.5° | 179.7° |
| C9 | C22 | C27 | C23 | 176.8° | 179.7° |
| C9 | C22 | C27 | C26 | 175.4° | 180.0° |
| C9 | C22 | C23 | C24 | 176.6° | 179.8° |
| C22 | C9 | C10 | H10 | 2.4° | 0.0° |
| C9 | C22 | C27 | H27 | 4.6° | 0.0° |
| C9 | C22 | C23 | H23 | 3.4° | 0.0° |
| C22 | C27 | C26 | H27 | 180.0° | 180.0° |
| C22 | C27 | C26 | C25 | 0.2° | 0.0° |
| C27 | C22 | C23 | C24 | 0.2° | 0.5° |
| C27 | C22 | C23 | H23 | 179.8° | 179.7° |
| C22 | C27 | C26 | H26 | 179.7° | 180.0° |
| C23 | C22 | C27 | C26 | 1.4° | 0.2° |
| C22 | C23 | C24 | C25 | 2.1° | 0.5° |
| C22 | C23 | C24 | H23 | 180.0° | 179.8° |
| C23 | C22 | C27 | H27 | 178.6° | 179.7° |
| C22 | C23 | C24 | H24 | 177.9° | 179.7° |
| C27 | C26 | C25 | H26 | 180.0° | 179.9° |
| C27 | C26 | C25 | C24 | 2.0° | 0.0° |
| C27 | C26 | C25 | C28 | 177.7° | 179.9° |
| C26 | C25 | C24 | C28 | 175.8° | 180.0° |
| C26 | C25 | C24 | C23 | 3.2° | 0.2° |
| C26 | C25 | C28 | O3 | 166.4° | 0.0° |
| C26 | C25 | C28 | O4 | 10.0° | 180.0° |
| C25 | C26 | C27 | H27 | 179.7° | 180.0° |
| C26 | C25 | C24 | H24 | 176.8° | 180.0° |
| C25 | C24 | C23 | H24 | 180.0° | 179.8° |
| C24 | C25 | C28 | O3 | 9.3° | 180.0° |
| C24 | C25 | C28 | O4 | 174.3° | 0.0° |
| C25 | C24 | C23 | H23 | 177.9° | 179.7° |
| C24 | C25 | C26 | H26 | 178.0° | 180.0° |
| C28 | C25 | C24 | C23 | 179.0° | 179.8° |
| C25 | C28 | O3 | O4 | 176.1° | 180.0° |
| C25 | C28 | O4 | C29 | 172.5° | 180.0° |
| C28 | C25 | C26 | H26 | 2.3° | 0.0° |
| C28 | C25 | C24 | H24 | 1.0° | 0.0° |
| O3 | C28 | O4 | C29 | 4.1° | 0.0° |
| C28 | O4 | C29 | H291 | 180.0° | 60.0° |
| C28 | O4 | C29 | H292 | 60.0° | 180.0° |
| C28 | O4 | C29 | H293 | 60.0° | 60.0° |
| O4 | C29 | H291 | H292 | 120.0° | 119.9° |
| O4 | C29 | H291 | H293 | 120.0° | 120.0° |
| O4 | C29 | H292 | H293 | 120.0° | 120.0° |
| H3 | N3 | C | H | 61.2° | 61.9° |
| H2 | N2 | C30 | H30 | 63.1° | 62.0° |
| H | C | C30 | H30 | 0.7° | 0.0° |
| H | C | C1 | H11C | 34.4° | 29.9° |
| H | C | C1 | H12C | 87.3° | 93.5° |
| H30 | C30 | C2 | HA | 40.1° | 29.9° |
| HA | C2 | C3 | H31C | 161.7° | 171.7° |
| HA | C2 | C3 | H32C | 79.7° | 68.4° |
| H31C | C3 | C4 | H41C | 179.1° | 180.0° |
| H31C | C3 | C4 | H42C | 61.5° | 60.0° |
| H32C | C3 | C4 | H41C | 60.5° | 59.9° |
| H32C | C3 | C4 | H42C | 179.9° | 180.0° |
| H41C | C4 | C5 | H51C | 172.3° | 180.0° |
| H41C | C4 | C5 | H52C | 68.5° | 60.0° |
| H42C | C4 | C5 | H51C | 53.0° | 60.0° |
| H42C | C4 | C5 | H52C | 172.2° | 180.0° |
| H51C | C5 | C6 | H61C | 179.2° | NaN° |
| H51C | C5 | C6 | H62C | 59.6° | 59.9° |
| H52C | C5 | C6 | H61C | 61.6° | 60.0° |
| H52C | C5 | C6 | H62C | 178.8° | 180.0° |
| HB | N | N1 | H1 | 83.0° | 174.6° |
| H12 | C12 | C11 | H11 | 0.1° | 0.1° |
| H19 | C19 | C18 | H18 | 0.4° | 0.1° |
| H15 | C15 | C16 | H16 | 0.5° | 0.1° |
| H211 | C21 | H212 | H213 | 120.0° | 120.1° |
| H11 | C11 | C10 | H10 | 0.5° | 0.0° |
| H27 | C27 | C26 | H26 | 0.3° | 0.1° |
| H23 | C23 | C24 | H24 | 2.1° | 0.1° |
| H291 | C29 | H292 | H293 | 119.9° | 120.1° |
