LUV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C30 | doub | 1.22Å | 1.22Å | |
| C30 | N3 | sing | 1.34Å | 1.35Å | |
| C30 | N2 | sing | 1.34Å | 1.35Å | |
| N3 | C | sing | 1.47Å | 1.46Å | |
| C | C29 | sing | 1.53Å | 1.56Å | |
| C | C1 | sing | 1.54Å | 1.60Å | |
| N2 | C29 | sing | 1.47Å | 1.45Å | |
| C29 | C2 | sing | 1.54Å | 1.53Å | |
| C2 | S | sing | 1.84Å | 1.81Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| S | C1 | sing | 1.84Å | 1.77Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | O | doub | 1.21Å | 1.23Å | |
| C7 | N | sing | 1.35Å | 1.33Å | |
| N | C8 | sing | 1.46Å | 1.45Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | N1 | sing | 1.46Å | 1.45Å | |
| N1 | C10 | sing | 1.35Å | 1.33Å | |
| C10 | O1 | doub | 1.22Å | 1.23Å | |
| C10 | C11 | sing | 1.47Å | 1.50Å | |
| C11 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.41Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.49Å | |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C23 | sing | 1.48Å | 1.49Å | |
| C23 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C29 | H29 | 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 | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C30 | N3 | 125.9° | 123.1° |
| O2 | C30 | N2 | 125.3° | 123.1° |
| N3 | C30 | N2 | 108.8° | 113.8° |
| C30 | N3 | C | 112.6° | 109.1° |
| C30 | N3 | H3 | 123.7° | 125.4° |
| C30 | N2 | C29 | 113.1° | 109.1° |
| C30 | N2 | H2 | 123.4° | 125.4° |
| N3 | C | C29 | 102.5° | 104.0° |
| N3 | C | C1 | 119.7° | 109.2° |
| C | N3 | H3 | 123.7° | 125.5° |
| N3 | C | H | 109.9° | 110.3° |
| C29 | C | C1 | 107.2° | 112.3° |
| C | C29 | N2 | 102.8° | 104.0° |
| C | C29 | C2 | 106.1° | 112.4° |
| C29 | C | H | 108.7° | 110.3° |
| C | C29 | H29 | 110.5° | 110.2° |
| C | C1 | S | 102.1° | 102.7° |
| C1 | C | H | 108.2° | 110.5° |
| C | C1 | H11C | 111.3° | 110.8° |
| C | C1 | H12C | 111.3° | 110.8° |
| N2 | C29 | C2 | 113.9° | 109.0° |
| C29 | N2 | H2 | 123.4° | 125.5° |
| N2 | C29 | H29 | 112.2° | 110.4° |
| C29 | C2 | S | 105.6° | 102.7° |
| C29 | C2 | C3 | 114.6° | 110.8° |
| C2 | C29 | H29 | 110.9° | 110.5° |
| C29 | C2 | HA | 108.7° | 110.8° |
| S | C2 | C3 | 113.0° | 110.8° |
| C2 | S | C1 | 86.7° | 94.8° |
| S | C2 | HA | 105.7° | 110.7° |
| C2 | C3 | C4 | 114.2° | 109.5° |
| C3 | C2 | HA | 108.9° | 110.8° |
| C2 | C3 | H31C | 108.3° | 109.4° |
| C2 | C3 | H32C | 108.3° | 109.5° |
| S | C1 | H11C | 111.3° | 110.8° |
| S | C1 | H12C | 111.3° | 110.8° |
| C3 | C4 | C5 | 113.5° | 109.5° |
| C4 | C3 | H31C | 108.3° | 109.5° |
| C4 | C3 | H32C | 108.3° | 109.5° |
| C3 | C4 | H41C | 108.4° | 109.5° |
| C3 | C4 | H42C | 108.4° | 109.5° |
| C4 | C5 | C6 | 113.5° | 109.5° |
| C5 | C4 | H41C | 108.4° | 109.5° |
| C5 | C4 | H42C | 108.5° | 109.5° |
| C4 | C5 | H51C | 108.4° | 109.5° |
| C4 | C5 | H52C | 108.4° | 109.4° |
| C5 | C6 | C7 | 113.1° | 109.5° |
| C6 | C5 | H51C | 108.4° | 109.4° |
| C6 | C5 | H52C | 108.4° | 109.5° |
| C5 | C6 | H61C | 108.6° | 109.5° |
| C5 | C6 | H62C | 108.5° | 109.5° |
| C6 | C7 | O | 120.6° | 120.0° |
| C6 | C7 | N | 116.9° | 120.0° |
| C7 | C6 | H61C | 108.6° | 109.4° |
| C7 | C6 | H62C | 108.5° | 109.5° |
| O | C7 | N | 122.5° | 120.0° |
| C7 | N | C8 | 122.8° | 120.0° |
| C7 | N | HB | 118.6° | 119.9° |
| N | C8 | C9 | 110.3° | 109.5° |
| C8 | N | HB | 118.6° | 120.0° |
| N | C8 | H81C | 109.2° | 109.5° |
| N | C8 | H82C | 109.2° | 109.5° |
| C8 | C9 | N1 | 109.7° | 109.5° |
| C9 | C8 | H81C | 109.3° | 109.5° |
| C9 | C8 | H82C | 109.3° | 109.5° |
| C8 | C9 | H91C | 109.4° | 109.5° |
| C8 | C9 | H92C | 109.4° | 109.5° |
| C9 | N1 | C10 | 122.3° | 120.0° |
| N1 | C9 | H91C | 109.4° | 109.5° |
| N1 | C9 | H92C | 109.4° | 109.5° |
| C9 | N1 | H1 | 118.9° | 120.0° |
| N1 | C10 | O1 | 123.2° | 120.0° |
| N1 | C10 | C11 | 115.5° | 120.0° |
| C10 | N1 | H1 | 118.9° | 120.0° |
| O1 | C10 | C11 | 121.2° | 120.0° |
| C10 | C11 | C16 | 117.0° | 120.2° |
| C10 | C11 | C12 | 121.1° | 120.3° |
| C16 | C11 | C12 | 121.9° | 119.5° |
| C11 | C16 | C17 | 122.0° | 120.2° |
| C11 | C16 | C15 | 118.1° | 119.7° |
| C11 | C12 | C13 | 118.2° | 119.7° |
| C11 | C12 | C23 | 121.7° | 120.2° |
| C17 | C16 | C15 | 119.9° | 120.1° |
| C16 | C17 | C22 | 120.5° | 120.1° |
| C16 | C17 | C18 | 121.3° | 120.1° |
| C16 | C15 | C14 | 120.5° | 120.3° |
| C16 | C15 | H15 | 119.8° | 119.9° |
| C22 | C17 | C18 | 118.1° | 119.7° |
| C17 | C22 | C21 | 120.8° | 119.9° |
| C17 | C22 | H22 | 119.6° | 120.1° |
| C17 | C18 | C19 | 120.7° | 119.9° |
| C17 | C18 | H18 | 119.7° | 120.1° |
| C22 | C21 | C20 | 120.3° | 120.1° |
| C21 | C22 | H22 | 119.6° | 120.1° |
| C22 | C21 | H21 | 119.8° | 119.9° |
| C21 | C20 | C19 | 119.8° | 120.3° |
| C20 | C21 | H21 | 119.9° | 120.0° |
| C21 | C20 | H20 | 120.1° | 119.8° |
| C20 | C19 | C18 | 120.3° | 120.1° |
| C19 | C20 | H20 | 120.1° | 119.9° |
| C20 | C19 | H19 | 119.8° | 119.9° |
| C19 | C18 | H18 | 119.7° | 120.1° |
| C18 | C19 | H19 | 119.8° | 119.9° |
| C15 | C14 | C13 | 120.9° | 120.6° |
| C14 | C15 | H15 | 119.7° | 119.8° |
| C15 | C14 | H14 | 119.5° | 119.7° |
| C14 | C13 | C12 | 120.4° | 120.3° |
| C13 | C14 | H14 | 119.5° | 119.7° |
| C14 | C13 | H13 | 119.8° | 119.8° |
| C13 | C12 | C23 | 120.1° | 120.1° |
| C12 | C13 | H13 | 119.8° | 119.9° |
| C12 | C23 | C28 | 120.7° | 120.2° |
| C12 | C23 | C24 | 121.2° | 120.1° |
| C28 | C23 | C24 | 118.1° | 119.7° |
| C23 | C28 | C27 | 120.8° | 119.9° |
| C23 | C28 | H28 | 119.6° | 120.0° |
| C23 | C24 | C25 | 120.8° | 119.9° |
| C23 | C24 | H24 | 119.6° | 120.1° |
| C28 | C27 | C26 | 120.3° | 120.1° |
| C27 | C28 | H28 | 119.6° | 120.1° |
| C28 | C27 | H27 | 119.9° | 119.9° |
| C27 | C26 | C25 | 119.7° | 120.3° |
| C26 | C27 | H27 | 119.8° | 119.9° |
| C27 | C26 | H26 | 120.2° | 119.9° |
| C26 | C25 | C24 | 120.4° | 120.1° |
| C25 | C26 | H26 | 120.1° | 119.9° |
| C26 | C25 | H25 | 119.8° | 119.9° |
| C25 | C24 | H24 | 119.6° | 120.0° |
| C24 | C25 | H25 | 119.8° | 119.9° |
| H11C | C1 | H12C | 109.5° | 110.8° |
| H31C | C3 | H32C | 109.4° | 109.5° |
| H41C | C4 | H42C | 109.5° | 109.4° |
| H51C | C5 | H52C | 109.5° | 109.5° |
| H61C | C6 | H62C | 109.5° | 109.5° |
| H81C | C8 | H82C | 109.5° | 109.5° |
| H91C | C9 | H92C | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C30 | N3 | N2 | 178.7° | 179.7° |
| O2 | C30 | N3 | C | 176.8° | 180.0° |
| O2 | C30 | N2 | C29 | 179.6° | 179.9° |
| O2 | C30 | N3 | H3 | 3.2° | 0.1° |
| O2 | C30 | N2 | H2 | 0.5° | 0.0° |
| C30 | N3 | C | H3 | 180.0° | 179.9° |
| C30 | N3 | C | C29 | 3.6° | 0.1° |
| C30 | N3 | C | C1 | 114.8° | 120.2° |
| N3 | C30 | N2 | C29 | 0.8° | 0.4° |
| N3 | C30 | N2 | H2 | 179.2° | 179.7° |
| C30 | N3 | C | H | 119.0° | 118.1° |
| N2 | C30 | N3 | C | 1.9° | 0.3° |
| C30 | N2 | C29 | C | 2.9° | 0.3° |
| C30 | N2 | C29 | H2 | 180.0° | 179.8° |
| C30 | N2 | C29 | C2 | 117.2° | 120.5° |
| N2 | C30 | N3 | H3 | 178.1° | 179.8° |
| C30 | N2 | C29 | H29 | 115.8° | 117.9° |
| N3 | C | C29 | C1 | 126.9° | 118.0° |
| N3 | C | C29 | H | 116.4° | 118.2° |
| N3 | C | C1 | H | 126.9° | 121.5° |
| N3 | C | C29 | N2 | 3.7° | 0.2° |
| N3 | C | C29 | C2 | 123.5° | 118.0° |
| N3 | C | C1 | S | 77.3° | 90.2° |
| N3 | C | C29 | H29 | 116.2° | 118.2° |
| N3 | C | C1 | H11C | 163.9° | 151.5° |
| N3 | C | C1 | H12C | 41.5° | 28.1° |
| C29 | C | C1 | H | 117.1° | 123.6° |
| C | C29 | N2 | C2 | 114.2° | 120.2° |
| C | C29 | N2 | H29 | 118.7° | 118.2° |
| C | C29 | C2 | H29 | 120.1° | 123.6° |
| C | C29 | C2 | S | 32.7° | 24.6° |
| C | C29 | C2 | C3 | 157.8° | 142.9° |
| C29 | C | C1 | S | 38.6° | 24.6° |
| C29 | C | N3 | H3 | 176.4° | 180.0° |
| C | C29 | N2 | H2 | 177.1° | 179.8° |
| C29 | C | C1 | H11C | 80.2° | 93.7° |
| C29 | C | C1 | H12C | 157.4° | 142.9° |
| C | C29 | C2 | HA | 80.3° | 93.7° |
| C1 | C | C29 | N2 | 123.2° | 117.8° |
| C1 | C | C29 | C2 | 3.4° | 0.0° |
| C | C1 | S | C2 | 50.1° | 34.7° |
| C | C1 | S | H11C | 118.8° | 118.3° |
| C | C1 | S | H12C | 118.8° | 118.3° |
| C1 | C | N3 | H3 | 65.2° | 59.9° |
| C1 | C | C29 | H29 | 116.9° | 123.8° |
| C | C1 | H11C | H12C | 123.4° | 123.4° |
| N2 | C29 | C2 | H29 | 127.7° | 121.6° |
| N2 | C29 | C2 | S | 79.5° | 90.2° |
| N2 | C29 | C2 | C3 | 45.5° | 28.1° |
| N2 | C29 | C | H | 120.0° | 118.4° |
| N2 | C29 | C2 | HA | 167.5° | 151.5° |
| C29 | C2 | S | C3 | 126.0° | 118.3° |
| C29 | C2 | S | HA | 115.1° | 118.3° |
| C29 | C2 | C3 | HA | 121.9° | 123.4° |
| C29 | C2 | S | C1 | 50.4° | 34.7° |
| C29 | C2 | C3 | C4 | 164.8° | 175.0° |
| C2 | C29 | N2 | H2 | 62.8° | 59.7° |
| C2 | C29 | C | H | 120.2° | 123.8° |
| C29 | C2 | C3 | H31C | 74.5° | 65.0° |
| C29 | C2 | C3 | H32C | 44.0° | 55.0° |
| S | C2 | C3 | HA | 117.1° | 123.3° |
| S | C2 | C3 | C4 | 74.3° | 71.7° |
| S | C2 | C29 | H29 | 152.8° | 148.2° |
| C2 | S | C1 | H11C | 68.7° | 83.6° |
| C2 | S | C1 | H12C | 168.9° | 153.0° |
| S | C2 | C3 | H31C | 46.4° | 48.3° |
| S | C2 | C3 | H32C | 165.0° | 168.3° |
| C3 | C2 | S | C1 | 176.3° | 153.0° |
| C2 | C3 | C4 | H31C | 120.7° | 120.0° |
| C2 | C3 | C4 | H32C | 120.7° | 120.0° |
| C2 | C3 | C4 | C5 | 176.1° | 180.0° |
| C3 | C2 | C29 | H29 | 82.2° | 93.4° |
| C2 | C3 | H31C | H32C | 117.8° | 120.0° |
| C2 | C3 | C4 | H41C | 63.2° | 60.0° |
| C2 | C3 | C4 | H42C | 55.5° | 59.9° |
| S | C1 | C | H | 155.7° | 148.2° |
| S | C1 | H11C | H12C | 123.4° | 123.3° |
| C1 | S | C2 | HA | 64.7° | 83.6° |
| C3 | C4 | C5 | H41C | 120.6° | 120.0° |
| C3 | C4 | C5 | H42C | 120.6° | 120.0° |
| C3 | C4 | C5 | C6 | 178.3° | 180.0° |
| C4 | C3 | C2 | HA | 42.9° | 51.6° |
| C4 | C3 | H31C | H32C | 117.9° | 120.0° |
| C3 | C4 | H41C | H42C | 118.1° | 120.0° |
| C3 | C4 | C5 | H51C | 61.1° | 60.0° |
| C3 | C4 | C5 | H52C | 57.7° | 60.0° |
| C4 | C5 | C6 | H51C | 120.6° | 120.0° |
| C4 | C5 | C6 | H52C | 120.6° | 119.9° |
| C4 | C5 | C6 | C7 | 60.7° | 180.0° |
| C5 | C4 | C3 | H31C | 55.5° | 60.0° |
| C5 | C4 | C3 | H32C | 63.1° | 60.0° |
| C5 | C4 | H41C | H42C | 118.2° | 120.0° |
| C4 | C5 | H51C | H52C | 118.1° | 120.0° |
| C4 | C5 | C6 | H61C | 59.9° | 60.0° |
| C4 | C5 | C6 | H62C | 178.8° | 60.0° |
| C5 | C6 | C7 | H61C | 120.6° | 120.0° |
| C5 | C6 | C7 | H62C | 120.5° | 120.0° |
| C5 | C6 | C7 | O | 48.5° | 0.0° |
| C5 | C6 | C7 | N | 131.6° | 180.0° |
| C6 | C5 | C4 | H41C | 57.7° | 60.0° |
| C6 | C5 | C4 | H42C | 61.1° | 60.0° |
| C6 | C5 | H51C | H52C | 118.2° | 120.0° |
| C5 | C6 | H61C | H62C | 118.3° | 120.0° |
| C6 | C7 | O | N | 179.9° | 180.0° |
| C6 | C7 | N | C8 | 179.8° | 180.0° |
| C7 | C6 | C5 | H51C | 178.7° | 60.0° |
| C7 | C6 | C5 | H52C | 59.9° | 60.0° |
| C7 | C6 | H61C | H62C | 118.3° | 120.0° |
| C6 | C7 | N | HB | 0.2° | 0.0° |
| O | C7 | N | C8 | 0.3° | 0.0° |
| O | C7 | C6 | H61C | 169.0° | 120.0° |
| O | C7 | C6 | H62C | 72.1° | 120.0° |
| O | C7 | N | HB | 179.7° | 180.0° |
| C7 | N | C8 | HB | 180.0° | 180.0° |
| C7 | N | C8 | C9 | 94.7° | 180.0° |
| N | C7 | C6 | H61C | 11.1° | 60.0° |
| N | C7 | C6 | H62C | 107.9° | 60.0° |
| C7 | N | C8 | H81C | 25.4° | 60.0° |
| C7 | N | C8 | H82C | 145.1° | 60.0° |
| N | C8 | C9 | H81C | 120.1° | 120.0° |
| N | C8 | C9 | H82C | 120.1° | 120.0° |
| N | C8 | C9 | N1 | 179.7° | 180.0° |
| N | C8 | H81C | H82C | 119.6° | 120.0° |
| N | C8 | C9 | H91C | 59.7° | 60.0° |
| N | C8 | C9 | H92C | 60.3° | 60.0° |
| C8 | C9 | N1 | H91C | 120.0° | 120.0° |
| C8 | C9 | N1 | H92C | 120.0° | 120.0° |
| C8 | C9 | N1 | C10 | 144.6° | 180.0° |
| C9 | C8 | N | HB | 85.2° | 0.0° |
| C9 | C8 | H81C | H82C | 119.6° | 120.0° |
| C8 | C9 | H91C | H92C | 119.9° | 120.0° |
| C8 | C9 | N1 | H1 | 35.4° | 0.0° |
| C9 | N1 | C10 | H1 | 180.0° | 180.0° |
| C9 | N1 | C10 | O1 | 5.9° | 0.0° |
| C9 | N1 | C10 | C11 | 174.4° | 180.0° |
| N1 | C9 | C8 | H81C | 60.2° | 60.0° |
| N1 | C9 | C8 | H82C | 59.6° | 60.0° |
| N1 | C9 | H91C | H92C | 119.9° | 120.0° |
| N1 | C10 | O1 | C11 | 179.6° | 179.9° |
| N1 | C10 | C11 | C16 | 72.0° | 90.0° |
| N1 | C10 | C11 | C12 | 108.2° | 89.7° |
| C10 | N1 | C9 | H91C | 95.3° | 60.0° |
| C10 | N1 | C9 | H92C | 24.6° | 59.9° |
| O1 | C10 | C11 | C16 | 108.4° | 90.0° |
| O1 | C10 | C11 | C12 | 71.5° | 90.3° |
| O1 | C10 | N1 | H1 | 174.0° | 180.0° |
| C10 | C11 | C16 | C12 | 179.9° | 179.7° |
| C10 | C11 | C16 | C17 | 0.6° | 0.0° |
| C10 | C11 | C16 | C15 | 179.1° | 180.0° |
| C10 | C11 | C12 | C13 | 178.5° | 179.7° |
| C10 | C11 | C12 | C23 | 4.0° | 0.0° |
| C11 | C10 | N1 | H1 | 5.6° | 0.1° |
| C11 | C16 | C17 | C15 | 178.5° | 180.0° |
| C11 | C16 | C17 | C22 | 56.2° | 130.0° |
| C11 | C16 | C17 | C18 | 120.0° | 50.2° |
| C11 | C16 | C15 | C14 | 0.2° | 0.0° |
| C16 | C11 | C12 | C13 | 1.4° | 0.6° |
| C16 | C11 | C12 | C23 | 176.2° | 179.7° |
| C11 | C16 | C15 | H15 | 179.8° | 180.0° |
| C12 | C11 | C16 | C17 | 179.3° | 179.7° |
| C12 | C11 | C16 | C15 | 0.8° | 0.3° |
| C11 | C12 | C13 | C14 | 1.0° | 0.6° |
| C11 | C12 | C13 | C23 | 177.6° | 179.7° |
| C11 | C12 | C23 | C28 | 51.5° | 130.0° |
| C11 | C12 | C23 | C24 | 126.1° | 50.3° |
| C11 | C12 | C13 | H13 | 179.0° | 179.7° |
| C16 | C17 | C22 | C18 | 176.4° | 179.8° |
| C16 | C17 | C22 | C21 | 175.4° | 180.0° |
| C16 | C17 | C18 | C19 | 175.4° | 179.6° |
| C17 | C16 | C15 | C14 | 178.3° | 180.0° |
| C17 | C16 | C15 | H15 | 1.7° | 0.0° |
| C16 | C17 | C22 | H22 | 4.6° | 0.1° |
| C16 | C17 | C18 | H18 | 4.6° | 0.0° |
| C15 | C16 | C17 | C22 | 122.3° | 50.0° |
| C15 | C16 | C17 | C18 | 61.5° | 129.8° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.6° | 0.0° |
| C16 | C15 | C14 | H14 | 179.4° | 179.9° |
| C17 | C22 | C21 | H22 | 180.0° | 179.9° |
| C17 | C22 | C21 | C20 | 0.5° | 0.1° |
| C22 | C17 | C18 | C19 | 1.0° | 0.6° |
| C22 | C17 | C18 | H18 | 179.0° | 179.8° |
| C17 | C22 | C21 | H21 | 179.5° | 179.9° |
| C18 | C17 | C22 | C21 | 1.0° | 0.2° |
| C17 | C18 | C19 | C20 | 0.4° | 0.6° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C18 | C17 | C22 | H22 | 179.0° | 179.7° |
| C17 | C18 | C19 | H19 | 179.6° | 179.6° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.0° | 0.0° |
| C22 | C21 | C20 | H20 | 180.0° | 180.0° |
| C21 | C20 | C19 | H20 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.1° | 0.3° |
| C20 | C21 | C22 | H22 | 179.5° | 180.0° |
| C21 | C20 | C19 | H19 | 179.9° | 179.9° |
| C20 | C19 | C18 | H19 | 180.0° | 179.7° |
| C20 | C19 | C18 | H18 | 179.5° | 179.7° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| C18 | C19 | C20 | H20 | 179.9° | 179.6° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.0° | 0.3° |
| C15 | C14 | C13 | H13 | 179.9° | 179.9° |
| C14 | C13 | C12 | H13 | 180.0° | 179.8° |
| C14 | C13 | C12 | C23 | 176.6° | 179.7° |
| C13 | C14 | C15 | H15 | 179.4° | 180.0° |
| C13 | C12 | C23 | C28 | 126.0° | 49.7° |
| C13 | C12 | C23 | C24 | 56.4° | 130.0° |
| C12 | C13 | C14 | H14 | 179.9° | 179.8° |
| C12 | C23 | C28 | C24 | 177.6° | 179.7° |
| C12 | C23 | C28 | C27 | 177.0° | 180.0° |
| C12 | C23 | C24 | C25 | 177.0° | 179.7° |
| C23 | C12 | C13 | H13 | 3.4° | 0.1° |
| C12 | C23 | C28 | H28 | 3.0° | 0.0° |
| C12 | C23 | C24 | H24 | 3.0° | 0.0° |
| C23 | C28 | C27 | H28 | 180.0° | 180.0° |
| C23 | C28 | C27 | C26 | 0.1° | 0.0° |
| C28 | C23 | C24 | C25 | 0.6° | 0.6° |
| C28 | C23 | C24 | H24 | 179.4° | 179.7° |
| C23 | C28 | C27 | H27 | 179.9° | 180.0° |
| C24 | C23 | C28 | C27 | 0.6° | 0.3° |
| C23 | C24 | C25 | C26 | 0.1° | 0.6° |
| C23 | C24 | C25 | H24 | 180.0° | 179.7° |
| C24 | C23 | C28 | H28 | 179.4° | 179.7° |
| C23 | C24 | C25 | H25 | 179.9° | 179.6° |
| C28 | C27 | C26 | H27 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.4° | 0.0° |
| C28 | C27 | C26 | H26 | 179.6° | 179.9° |
| C27 | C26 | C25 | H26 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.4° | 0.3° |
| C26 | C27 | C28 | H28 | 179.9° | 180.0° |
| C27 | C26 | C25 | H25 | 179.5° | 179.9° |
| C26 | C25 | C24 | H25 | 180.0° | 179.8° |
| C26 | C25 | C24 | H24 | 179.9° | 179.7° |
| C25 | C26 | C27 | H27 | 179.6° | 180.0° |
| C24 | C25 | C26 | H26 | 179.5° | 179.7° |
| H3 | N3 | C | H | 60.9° | 61.8° |
| H2 | N2 | C29 | H29 | 64.2° | 61.9° |
| H | C | C29 | H29 | 0.2° | 0.0° |
| H | C | C1 | H11C | 36.9° | 29.9° |
| H | C | C1 | H12C | 85.5° | 93.4° |
| H29 | C29 | C2 | HA | 39.8° | 30.0° |
| HA | C2 | C3 | H31C | 163.6° | 171.6° |
| HA | C2 | C3 | H32C | 77.8° | 68.4° |
| H31C | C3 | C4 | H41C | 176.1° | 180.0° |
| H31C | C3 | C4 | H42C | 65.2° | 60.0° |
| H32C | C3 | C4 | H41C | 57.5° | 60.0° |
| H32C | C3 | C4 | H42C | 176.2° | 180.0° |
| H41C | C4 | C5 | H51C | 178.3° | 179.9° |
| H41C | C4 | C5 | H52C | 62.9° | 60.0° |
| H42C | C4 | C5 | H51C | 59.5° | 60.0° |
| H42C | C4 | C5 | H52C | 178.3° | 179.9° |
| H51C | C5 | C6 | H61C | 60.7° | 179.9° |
| H51C | C5 | C6 | H62C | 58.2° | 60.0° |
| H52C | C5 | C6 | H61C | 179.5° | 59.9° |
| H52C | C5 | C6 | H62C | 60.6° | 180.0° |
| HB | N | C8 | H81C | 154.6° | 120.0° |
| HB | N | C8 | H82C | 34.9° | 120.0° |
| H81C | C8 | C9 | H91C | 179.8° | 180.0° |
| H81C | C8 | C9 | H92C | 59.8° | 60.0° |
| H82C | C8 | C9 | H91C | 60.4° | 60.0° |
| H82C | C8 | C9 | H92C | 179.6° | 180.0° |
| H91C | C9 | N1 | H1 | 84.6° | 120.0° |
| H92C | C9 | N1 | H1 | 155.4° | 120.0° |
| H15 | C15 | C14 | H14 | 0.6° | 0.1° |
| H22 | C22 | C21 | H21 | 0.5° | 0.0° |
| H18 | C18 | C19 | H19 | 0.4° | 0.0° |
| H21 | C21 | C20 | H20 | 0.0° | 0.0° |
| H20 | C20 | C19 | H19 | 0.1° | 0.1° |
| H14 | C14 | C13 | H13 | 0.1° | 0.0° |
| H28 | C28 | C27 | H27 | 0.1° | 0.1° |
| H24 | C24 | C25 | H25 | 0.1° | 0.0° |
| H27 | C27 | C26 | H26 | 0.4° | 0.0° |
| H26 | C26 | C25 | H25 | 0.5° | 0.0° |
