7VW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C22 | doub | 1.21Å | 1.22Å | |
| C22 | N3 | sing | 1.34Å | 1.33Å | |
| C22 | C19 | sing | 1.51Å | 1.50Å | |
| N3 | C21 | sing | 1.47Å | 1.45Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C16 | sing | 1.53Å | 1.53Å | |
| O6 | C17 | sing | 1.43Å | 1.43Å | |
| C27 | C15 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.55Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| O3 | C9 | doub | 1.21Å | 1.22Å | |
| N2 | C16 | sing | 1.47Å | 1.48Å | |
| N2 | C13 | sing | 1.35Å | 1.34Å | |
| O | C6 | sing | 1.45Å | 1.42Å | |
| O | C7 | sing | 1.35Å | 1.45Å | |
| C21 | C20 | sing | 1.55Å | 1.53Å | |
| C6 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | N1 | sing | 1.46Å | 1.44Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C9 | N1 | sing | 1.35Å | 1.33Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| N | C7 | sing | 1.35Å | 1.32Å | |
| N | C8 | sing | 1.47Å | 1.44Å | |
| C15 | C29 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C28 | sing | 1.53Å | 1.52Å | |
| C13 | O4 | doub | 1.21Å | 1.23Å | |
| C25 | C23 | sing | 1.53Å | 1.52Å | |
| C7 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C10 | sing | 1.53Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C10 | O2 | sing | 1.43Å | 1.42Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C23 | O2 | sing | 1.43Å | 1.44Å | |
| C23 | C26 | sing | 1.53Å | 1.52Å | |
| C1 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C | sing | 1.38Å | 1.39Å | Aromatic |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C3 | H39 | sing | 1.08Å | 1.08Å | |
| C5 | H40 | sing | 1.08Å | 1.08Å | |
| C6 | H41 | sing | 1.09Å | 1.10Å | |
| C6 | H42 | sing | 1.09Å | 1.10Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| N1 | H44 | sing | 0.97Å | 1.00Å | |
| N2 | H45 | sing | 0.97Å | 1.00Å | |
| O6 | H46 | sing | 0.97Å | 0.95Å | |
| C21 | H47 | sing | 1.09Å | 1.10Å | |
| N3 | H48 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C22 | N3 | 125.6° | 124.9° |
| O5 | C22 | C19 | 122.7° | 125.0° |
| N3 | C22 | C19 | 111.7° | 110.1° |
| C22 | N3 | C21 | 112.3° | 111.3° |
| C22 | N3 | H48 | 123.8° | 124.3° |
| C22 | C19 | C18 | 114.8° | 110.5° |
| C22 | C19 | C20 | 104.1° | 104.2° |
| C22 | C19 | H16 | 109.3° | 110.6° |
| N3 | C21 | C20 | 105.6° | 105.4° |
| N3 | C21 | H20 | 110.4° | 110.3° |
| N3 | C21 | H47 | 110.5° | 110.3° |
| C21 | N3 | H48 | 123.9° | 124.3° |
| C19 | C18 | C16 | 107.4° | 109.5° |
| C18 | C19 | C20 | 110.6° | 110.5° |
| C19 | C18 | H14 | 110.0° | 109.5° |
| C19 | C18 | H15 | 110.0° | 109.5° |
| C18 | C19 | H16 | 108.9° | 110.4° |
| C18 | C16 | C17 | 111.5° | 109.5° |
| C18 | C16 | N2 | 110.6° | 109.5° |
| C18 | C16 | H11 | 106.6° | 109.4° |
| C16 | C18 | H14 | 110.0° | 109.4° |
| C16 | C18 | H15 | 110.0° | 109.5° |
| O6 | C17 | C16 | 111.9° | 109.4° |
| O6 | C17 | H12 | 108.9° | 109.5° |
| O6 | C17 | H13 | 108.9° | 109.5° |
| C17 | O6 | H46 | 109.5° | 114.0° |
| C27 | C15 | C29 | 110.0° | 109.5° |
| C27 | C15 | C14 | 109.2° | 109.5° |
| C27 | C15 | C28 | 106.9° | 109.5° |
| C15 | C27 | H30 | 109.5° | 109.5° |
| C15 | C27 | H31 | 109.4° | 109.5° |
| C15 | C27 | H32 | 109.4° | 109.5° |
| C19 | C20 | C21 | 106.0° | 101.8° |
| C20 | C19 | H16 | 109.0° | 110.5° |
| C19 | C20 | H18 | 110.3° | 111.0° |
| C19 | C20 | H19 | 110.3° | 111.0° |
| C17 | C16 | N2 | 113.9° | 109.5° |
| C17 | C16 | H11 | 106.5° | 109.5° |
| C16 | C17 | H12 | 108.9° | 109.5° |
| C16 | C17 | H13 | 108.9° | 109.5° |
| O3 | C9 | N1 | 122.8° | 120.0° |
| O3 | C9 | C8 | 122.8° | 120.0° |
| C16 | N2 | C13 | 120.6° | 120.0° |
| N2 | C16 | H11 | 107.2° | 109.4° |
| C16 | N2 | H45 | 119.7° | 120.0° |
| N2 | C13 | C12 | 119.2° | 120.0° |
| N2 | C13 | O4 | 120.8° | 120.0° |
| C13 | N2 | H45 | 119.7° | 120.0° |
| C6 | O | C7 | 120.3° | 117.0° |
| O | C6 | C4 | 110.8° | 109.5° |
| O | C6 | H41 | 109.1° | 109.5° |
| O | C6 | H42 | 109.1° | 109.4° |
| O | C7 | N | 116.9° | 120.0° |
| O | C7 | O1 | 120.2° | 120.0° |
| C21 | C20 | H18 | 110.3° | 111.0° |
| C21 | C20 | H19 | 110.3° | 111.0° |
| C20 | C21 | H20 | 110.4° | 110.3° |
| C20 | C21 | H47 | 110.4° | 110.2° |
| C6 | C4 | C3 | 119.9° | 120.0° |
| C6 | C4 | C5 | 119.8° | 120.0° |
| C4 | C6 | H41 | 109.1° | 109.5° |
| C4 | C6 | H42 | 109.1° | 109.5° |
| C2 | C3 | C4 | 118.8° | 120.0° |
| C3 | C2 | C1 | 120.6° | 120.0° |
| C3 | C2 | H17 | 119.7° | 120.0° |
| C2 | C3 | H39 | 120.6° | 119.9° |
| C3 | C4 | C5 | 120.3° | 120.0° |
| C4 | C3 | H39 | 120.6° | 120.1° |
| C13 | C12 | N1 | 109.2° | 109.5° |
| C13 | C12 | C14 | 112.5° | 109.5° |
| C12 | C13 | O4 | 119.9° | 120.0° |
| C13 | C12 | H8 | 109.4° | 109.5° |
| N1 | C12 | C14 | 106.6° | 109.5° |
| C12 | N1 | C9 | 121.5° | 120.0° |
| N1 | C12 | H8 | 110.3° | 109.5° |
| C12 | N1 | H44 | 119.3° | 120.0° |
| C12 | C14 | C15 | 114.5° | 109.5° |
| C14 | C12 | H8 | 109.0° | 109.5° |
| C12 | C14 | H9 | 108.2° | 109.5° |
| C12 | C14 | H10 | 108.2° | 109.5° |
| N1 | C9 | C8 | 114.3° | 120.0° |
| C9 | N1 | H44 | 119.3° | 120.0° |
| C9 | C8 | N | 112.7° | 109.5° |
| C9 | C8 | C10 | 111.3° | 109.5° |
| C9 | C8 | H43 | 107.6° | 109.5° |
| C7 | N | C8 | 118.8° | 120.0° |
| N | C7 | O1 | 122.9° | 120.0° |
| C7 | N | H1 | 120.6° | 120.0° |
| N | C8 | C10 | 109.0° | 109.4° |
| C8 | N | H1 | 120.6° | 120.0° |
| N | C8 | H43 | 108.5° | 109.5° |
| C29 | C15 | C14 | 112.3° | 109.4° |
| C29 | C15 | C28 | 107.3° | 109.5° |
| C15 | C29 | H36 | 109.5° | 109.5° |
| C15 | C29 | H37 | 109.4° | 109.4° |
| C15 | C29 | H38 | 109.5° | 109.4° |
| C14 | C15 | C28 | 111.0° | 109.5° |
| C15 | C14 | H9 | 108.2° | 109.5° |
| C15 | C14 | H10 | 108.2° | 109.4° |
| C15 | C28 | H33 | 109.5° | 109.5° |
| C15 | C28 | H34 | 109.4° | 109.5° |
| C15 | C28 | H35 | 109.5° | 109.4° |
| C25 | C23 | C24 | 108.3° | 109.5° |
| C25 | C23 | O2 | 111.7° | 109.5° |
| C25 | C23 | C26 | 108.6° | 109.5° |
| C23 | C25 | H24 | 109.5° | 109.4° |
| C23 | C25 | H25 | 109.5° | 109.4° |
| C23 | C25 | H26 | 109.5° | 109.5° |
| C2 | C1 | C | 121.1° | 120.0° |
| C2 | C1 | H3 | 119.5° | 120.0° |
| C1 | C2 | H17 | 119.7° | 120.0° |
| C4 | C5 | C | 120.6° | 120.0° |
| C4 | C5 | H40 | 119.7° | 120.0° |
| C8 | C10 | O2 | 107.6° | 109.5° |
| C8 | C10 | C11 | 109.5° | 109.5° |
| C8 | C10 | H4 | 109.2° | 109.5° |
| C10 | C8 | H43 | 107.5° | 109.4° |
| C24 | C23 | O2 | 111.4° | 109.5° |
| C24 | C23 | C26 | 109.8° | 109.4° |
| C23 | C24 | H21 | 109.5° | 109.5° |
| C23 | C24 | H22 | 109.5° | 109.5° |
| C23 | C24 | H23 | 109.5° | 109.4° |
| O2 | C10 | C11 | 111.1° | 109.5° |
| C10 | O2 | C23 | 116.1° | 114.0° |
| O2 | C10 | H4 | 110.4° | 109.4° |
| C11 | C10 | H4 | 109.0° | 109.5° |
| C10 | C11 | H5 | 109.5° | 109.5° |
| C10 | C11 | H6 | 109.5° | 109.5° |
| C10 | C11 | H7 | 109.4° | 109.4° |
| O2 | C23 | C26 | 106.9° | 109.5° |
| C23 | C26 | H27 | 109.5° | 109.4° |
| C23 | C26 | H28 | 109.5° | 109.4° |
| C23 | C26 | H29 | 109.5° | 109.5° |
| C1 | C | C5 | 118.6° | 120.0° |
| C1 | C | H2 | 120.7° | 120.0° |
| C | C1 | H3 | 119.4° | 120.0° |
| C5 | C | H2 | 120.7° | 120.0° |
| C | C5 | H40 | 119.7° | 119.9° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.5° | 109.4° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.4° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.4° |
| H18 | C20 | H19 | 109.5° | 110.8° |
| H20 | C21 | H47 | 109.5° | 110.3° |
| H21 | C24 | H22 | 109.5° | 109.5° |
| H21 | C24 | H23 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.4° | 109.4° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H24 | C25 | H26 | 109.4° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H27 | C26 | H28 | 109.5° | 109.5° |
| H27 | C26 | H29 | 109.5° | 109.5° |
| H28 | C26 | H29 | 109.4° | 109.5° |
| H30 | C27 | H31 | 109.5° | 109.5° |
| H30 | C27 | H32 | 109.5° | 109.4° |
| H31 | C27 | H32 | 109.5° | 109.4° |
| H33 | C28 | H34 | 109.5° | 109.5° |
| H33 | C28 | H35 | 109.5° | 109.5° |
| H34 | C28 | H35 | 109.5° | 109.5° |
| H36 | C29 | H37 | 109.5° | 109.5° |
| H36 | C29 | H38 | 109.4° | 109.5° |
| H37 | C29 | H38 | 109.5° | 109.5° |
| H41 | C6 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C22 | N3 | C19 | 177.7° | 179.9° |
| O5 | C22 | N3 | C21 | 172.7° | 179.6° |
| O5 | C22 | C19 | C18 | 62.3° | 45.1° |
| O5 | C22 | C19 | C20 | 176.6° | 163.8° |
| O5 | C22 | C19 | H16 | 60.3° | 77.5° |
| O5 | C22 | N3 | H48 | 7.3° | 0.5° |
| C22 | N3 | C21 | H48 | 180.0° | 179.9° |
| N3 | C22 | C19 | C18 | 119.9° | 134.9° |
| N3 | C22 | C19 | C20 | 1.1° | 16.2° |
| C22 | N3 | C21 | C20 | 6.6° | 17.0° |
| N3 | C22 | C19 | H16 | 117.4° | 102.5° |
| C22 | N3 | C21 | H20 | 112.8° | 136.0° |
| C22 | N3 | C21 | H47 | 126.0° | 102.0° |
| C19 | C22 | N3 | C21 | 5.0° | 0.4° |
| C22 | C19 | C18 | C20 | 117.4° | 114.8° |
| C22 | C19 | C18 | H16 | 122.8° | 122.7° |
| C22 | C19 | C18 | C16 | 151.7° | 179.7° |
| C22 | C19 | C20 | H16 | 116.5° | 118.8° |
| C22 | C19 | C20 | C21 | 2.8° | 24.8° |
| C22 | C19 | C18 | H14 | 88.7° | 60.3° |
| C22 | C19 | C18 | H15 | 32.0° | 59.6° |
| C22 | C19 | C20 | H18 | 116.6° | 93.4° |
| C22 | C19 | C20 | H19 | 122.3° | 143.0° |
| C19 | C22 | N3 | H48 | 175.0° | 179.5° |
| N3 | C21 | C20 | C19 | 5.5° | 25.4° |
| N3 | C21 | C20 | H20 | 119.4° | 119.0° |
| N3 | C21 | C20 | H47 | 119.4° | 119.0° |
| N3 | C21 | C20 | H18 | 113.9° | 92.8° |
| N3 | C21 | C20 | H19 | 124.9° | 143.6° |
| N3 | C21 | H20 | H47 | 121.8° | 122.0° |
| C19 | C18 | C16 | H14 | 119.7° | 120.0° |
| C19 | C18 | C16 | H15 | 119.7° | 120.0° |
| C18 | C19 | C20 | H16 | 119.7° | 122.5° |
| C19 | C18 | C16 | C17 | 178.4° | 174.3° |
| C19 | C18 | C16 | N2 | 50.5° | 65.7° |
| C18 | C19 | C20 | C21 | 126.6° | 143.5° |
| C19 | C18 | C16 | H11 | 65.8° | 54.3° |
| C19 | C18 | H14 | H15 | 120.9° | 120.0° |
| C18 | C19 | C20 | H18 | 7.1° | 25.3° |
| C18 | C19 | C20 | H19 | 114.0° | 98.3° |
| C18 | C16 | C17 | O6 | 30.9° | 55.0° |
| C16 | C18 | C19 | C20 | 91.0° | 64.9° |
| C18 | C16 | C17 | N2 | 126.1° | 120.0° |
| C18 | C16 | C17 | H11 | 115.9° | 120.0° |
| C18 | C16 | N2 | H11 | 115.9° | 120.0° |
| C18 | C16 | N2 | C13 | 120.6° | 149.1° |
| C18 | C16 | C17 | H12 | 151.3° | 175.0° |
| C18 | C16 | C17 | H13 | 89.5° | 65.0° |
| C16 | C18 | H14 | H15 | 120.9° | 119.9° |
| C16 | C18 | C19 | H16 | 28.8° | 57.7° |
| C18 | C16 | N2 | H45 | 59.4° | 30.9° |
| O6 | C17 | C16 | H12 | 120.4° | 120.0° |
| O6 | C17 | C16 | H13 | 120.4° | 120.0° |
| O6 | C17 | C16 | N2 | 156.9° | 65.0° |
| O6 | C17 | C16 | H11 | 85.1° | 175.0° |
| O6 | C17 | H12 | H13 | 118.9° | 120.0° |
| C27 | C15 | C14 | C12 | 56.8° | 174.5° |
| C27 | C15 | C29 | C14 | 121.8° | 120.0° |
| C27 | C15 | C29 | C28 | 115.9° | 120.0° |
| C27 | C15 | C14 | C28 | 117.6° | 120.0° |
| C27 | C15 | C14 | H9 | 177.6° | 65.5° |
| C27 | C15 | C14 | H10 | 63.9° | 54.5° |
| C15 | C27 | H30 | H31 | 120.0° | 120.1° |
| C15 | C27 | H30 | H32 | 120.0° | 120.0° |
| C15 | C27 | H31 | H32 | 120.0° | 120.0° |
| C27 | C15 | C28 | H33 | 180.0° | 41.0° |
| C27 | C15 | C28 | H34 | 60.0° | 79.0° |
| C27 | C15 | C28 | H35 | 60.0° | 160.9° |
| C27 | C15 | C29 | H36 | 180.0° | 78.6° |
| C27 | C15 | C29 | H37 | 60.0° | 41.4° |
| C27 | C15 | C29 | H38 | 60.0° | 161.4° |
| C19 | C20 | C21 | H18 | 119.4° | 118.1° |
| C19 | C20 | C21 | H19 | 119.4° | 118.2° |
| C20 | C19 | C18 | H14 | 28.7° | 175.1° |
| C20 | C19 | C18 | H15 | 149.4° | 55.1° |
| C19 | C20 | H18 | H19 | 121.6° | 123.8° |
| C19 | C20 | C21 | H20 | 113.9° | 144.4° |
| C19 | C20 | C21 | H47 | 124.9° | 93.6° |
| C17 | C16 | N2 | H11 | 117.6° | 120.0° |
| C17 | C16 | N2 | C13 | 112.9° | 90.9° |
| C16 | C17 | H12 | H13 | 118.9° | 120.0° |
| C17 | C16 | C18 | H14 | 62.0° | 65.7° |
| C17 | C16 | C18 | H15 | 58.7° | 54.2° |
| C17 | C16 | N2 | H45 | 67.1° | 89.2° |
| C16 | C17 | O6 | H46 | 180.0° | 180.0° |
| O3 | C9 | N1 | C12 | 2.0° | 4.9° |
| O3 | C9 | N1 | C8 | 180.0° | 180.0° |
| O3 | C9 | C8 | N | 65.4° | 0.0° |
| O3 | C9 | C8 | C10 | 57.5° | 120.0° |
| O3 | C9 | C8 | H43 | 175.0° | 120.0° |
| O3 | C9 | N1 | H44 | 178.0° | 175.1° |
| C16 | N2 | C13 | H45 | 180.0° | 180.0° |
| C16 | N2 | C13 | C12 | 164.7° | 180.0° |
| C16 | N2 | C13 | O4 | 15.0° | 0.1° |
| N2 | C16 | C17 | H12 | 82.7° | 55.0° |
| N2 | C16 | C17 | H13 | 36.6° | 175.0° |
| N2 | C16 | C18 | H14 | 170.2° | 54.4° |
| N2 | C16 | C18 | H15 | 69.2° | 174.3° |
| N2 | C13 | C12 | O4 | 179.7° | 179.9° |
| N2 | C13 | C12 | N1 | 133.1° | 178.4° |
| N2 | C13 | C12 | C14 | 108.9° | 61.6° |
| N2 | C13 | C12 | H8 | 12.4° | 58.4° |
| C13 | N2 | C16 | H11 | 4.7° | 29.1° |
| O | C6 | C4 | H41 | 120.2° | 120.0° |
| O | C6 | C4 | H42 | 120.2° | 120.0° |
| O | C6 | C4 | C3 | 72.6° | 90.0° |
| C6 | O | C7 | N | 166.3° | 180.0° |
| C6 | O | C7 | O1 | 15.5° | 0.1° |
| O | C6 | C4 | C5 | 107.3° | 89.7° |
| O | C6 | H41 | H42 | 119.4° | 120.0° |
| C7 | O | C6 | C4 | 67.2° | 180.0° |
| O | C7 | N | O1 | 178.1° | 180.0° |
| O | C7 | N | C8 | 155.6° | 180.0° |
| O | C7 | N | H1 | 24.5° | 0.3° |
| C7 | O | C6 | H41 | 53.0° | 60.0° |
| C7 | O | C6 | H42 | 172.6° | 60.0° |
| C21 | C20 | C19 | H16 | 113.7° | 94.0° |
| C21 | C20 | H18 | H19 | 121.6° | 123.8° |
| C20 | C21 | H20 | H47 | 121.8° | 122.0° |
| C20 | C21 | N3 | H48 | 173.4° | 162.9° |
| C6 | C4 | C3 | C2 | 179.7° | 180.0° |
| C6 | C4 | C3 | C5 | 179.9° | 179.8° |
| C6 | C4 | C5 | C | 179.9° | 179.7° |
| C6 | C4 | C3 | H39 | 0.3° | 0.0° |
| C6 | C4 | C5 | H40 | 0.1° | 0.2° |
| C4 | C6 | H41 | H42 | 119.4° | 120.0° |
| C2 | C3 | C4 | H39 | 180.0° | 180.0° |
| C3 | C2 | C1 | H17 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.3° |
| C3 | C2 | C1 | C | 0.3° | 0.1° |
| C3 | C2 | C1 | H3 | 179.7° | 180.0° |
| C4 | C3 | C2 | C1 | 0.5° | 0.0° |
| C3 | C4 | C5 | C | 0.0° | 0.5° |
| C4 | C3 | C2 | H17 | 179.5° | 179.9° |
| C3 | C4 | C5 | H40 | 180.0° | 180.0° |
| C3 | C4 | C6 | H41 | 167.2° | 30.0° |
| C3 | C4 | C6 | H42 | 47.6° | 150.0° |
| C13 | C12 | N1 | C14 | 121.7° | 120.0° |
| C13 | C12 | N1 | H8 | 120.2° | 120.0° |
| C13 | C12 | C14 | H8 | 121.4° | 120.0° |
| C13 | C12 | N1 | C9 | 72.0° | 167.5° |
| C13 | C12 | C14 | C15 | 152.4° | 55.9° |
| C13 | C12 | C14 | H9 | 86.8° | 64.2° |
| C13 | C12 | C14 | H10 | 31.7° | 175.8° |
| C13 | C12 | N1 | H44 | 108.1° | 12.5° |
| C12 | C13 | N2 | H45 | 15.3° | 0.0° |
| N1 | C12 | C14 | H8 | 119.0° | 120.0° |
| C12 | N1 | C9 | H44 | 180.0° | 180.0° |
| C12 | N1 | C9 | C8 | 178.0° | 175.1° |
| N1 | C12 | C14 | C15 | 88.0° | 64.1° |
| N1 | C12 | C13 | O4 | 47.2° | 1.6° |
| N1 | C12 | C14 | H9 | 32.8° | 175.9° |
| N1 | C12 | C14 | H10 | 151.3° | 55.8° |
| C14 | C12 | N1 | C9 | 166.4° | 72.5° |
| C12 | C14 | C15 | C29 | 65.4° | 65.6° |
| C12 | C14 | C15 | H9 | 120.7° | 120.0° |
| C12 | C14 | C15 | H10 | 120.7° | 120.0° |
| C12 | C14 | C15 | C28 | 174.4° | 54.5° |
| C14 | C12 | C13 | O4 | 70.8° | 118.4° |
| C12 | C14 | H9 | H10 | 117.7° | 120.1° |
| C14 | C12 | N1 | H44 | 13.6° | 107.5° |
| N1 | C9 | C8 | N | 114.6° | 180.0° |
| N1 | C9 | C8 | C10 | 122.5° | 60.0° |
| C9 | N1 | C12 | H8 | 48.2° | 47.5° |
| N1 | C9 | C8 | H43 | 4.9° | 60.0° |
| C9 | C8 | N | C7 | 110.8° | 155.0° |
| C9 | C8 | N | C10 | 124.1° | 120.0° |
| C9 | C8 | N | H43 | 119.0° | 120.0° |
| C9 | C8 | C10 | H43 | 117.6° | 120.0° |
| C9 | C8 | C10 | O2 | 177.7° | 55.0° |
| C9 | C8 | C10 | C11 | 56.9° | 175.0° |
| C9 | C8 | N | H1 | 69.2° | 25.3° |
| C9 | C8 | C10 | H4 | 62.4° | 65.0° |
| C8 | C9 | N1 | H44 | 2.0° | 4.9° |
| C7 | N | C8 | H1 | 180.0° | 179.7° |
| C7 | N | C8 | C10 | 125.1° | 85.0° |
| C7 | N | C8 | H43 | 8.2° | 35.0° |
| C8 | N | C7 | O1 | 22.6° | 0.0° |
| N | C8 | C10 | H43 | 117.4° | 120.0° |
| N | C8 | C10 | O2 | 57.3° | 65.0° |
| N | C8 | C10 | C11 | 178.2° | 55.0° |
| N | C8 | C10 | H4 | 62.5° | 175.0° |
| C29 | C15 | C14 | C28 | 120.2° | 120.0° |
| C29 | C15 | C14 | H9 | 55.4° | 54.5° |
| C29 | C15 | C14 | H10 | 173.9° | 174.4° |
| C29 | C15 | C27 | H30 | 180.0° | 60.0° |
| C29 | C15 | C27 | H31 | 60.0° | 180.0° |
| C29 | C15 | C27 | H32 | 60.0° | 60.0° |
| C29 | C15 | C28 | H33 | 62.1° | 79.0° |
| C29 | C15 | C28 | H34 | 178.0° | 161.0° |
| C29 | C15 | C28 | H35 | 57.9° | 40.9° |
| C15 | C29 | H36 | H37 | 120.0° | 120.0° |
| C15 | C29 | H36 | H38 | 120.0° | 120.0° |
| C15 | C29 | H37 | H38 | 120.0° | 120.0° |
| C15 | C14 | C12 | H8 | 31.0° | 175.8° |
| C15 | C14 | H9 | H10 | 117.7° | 119.9° |
| C14 | C15 | C27 | H30 | 56.4° | 60.0° |
| C14 | C15 | C27 | H31 | 63.6° | 60.1° |
| C14 | C15 | C27 | H32 | 176.4° | 180.0° |
| C14 | C15 | C28 | H33 | 61.0° | 161.0° |
| C14 | C15 | C28 | H34 | 59.0° | 41.0° |
| C14 | C15 | C28 | H35 | 179.0° | 79.0° |
| C14 | C15 | C29 | H36 | 58.2° | 41.4° |
| C14 | C15 | C29 | H37 | 178.2° | 161.4° |
| C14 | C15 | C29 | H38 | 61.8° | 78.6° |
| C28 | C15 | C14 | H9 | 64.8° | 174.5° |
| C28 | C15 | C14 | H10 | 53.7° | 65.5° |
| C28 | C15 | C27 | H30 | 63.8° | 180.0° |
| C28 | C15 | C27 | H31 | 176.2° | 59.9° |
| C28 | C15 | C27 | H32 | 56.2° | 60.0° |
| C15 | C28 | H33 | H34 | 120.0° | 120.0° |
| C15 | C28 | H33 | H35 | 120.0° | 120.0° |
| C15 | C28 | H34 | H35 | 120.0° | 120.0° |
| C28 | C15 | C29 | H36 | 64.1° | 161.4° |
| C28 | C15 | C29 | H37 | 56.0° | 78.6° |
| C28 | C15 | C29 | H38 | 175.9° | 41.4° |
| O4 | C13 | C12 | H8 | 168.0° | 121.7° |
| O4 | C13 | N2 | H45 | 165.0° | 180.0° |
| C25 | C23 | C24 | O2 | 123.2° | 120.0° |
| C25 | C23 | C24 | C26 | 118.5° | 120.0° |
| C25 | C23 | O2 | C10 | 78.1° | 173.7° |
| C25 | C23 | O2 | C26 | 118.7° | 120.0° |
| C25 | C23 | C24 | H21 | 180.0° | 180.0° |
| C25 | C23 | C24 | H22 | 60.0° | 60.0° |
| C25 | C23 | C24 | H23 | 60.0° | 60.0° |
| C23 | C25 | H24 | H25 | 120.0° | 120.0° |
| C23 | C25 | H24 | H26 | 120.0° | 120.0° |
| C23 | C25 | H25 | H26 | 120.0° | 120.0° |
| C25 | C23 | C26 | H27 | 180.0° | 60.2° |
| C25 | C23 | C26 | H28 | 60.0° | 59.8° |
| C25 | C23 | C26 | H29 | 60.0° | 179.8° |
| O1 | C7 | N | H1 | 157.4° | 179.7° |
| C2 | C1 | C | H3 | 180.0° | 179.9° |
| C2 | C1 | C | C5 | 0.1° | 0.3° |
| C2 | C1 | C | H2 | 179.9° | 180.0° |
| C1 | C2 | C3 | H39 | 179.5° | 180.0° |
| C4 | C5 | C | C1 | 0.2° | 0.6° |
| C4 | C5 | C | H40 | 180.0° | 179.5° |
| C4 | C5 | C | H2 | 179.8° | 179.8° |
| C5 | C4 | C3 | H39 | 179.6° | 179.8° |
| C5 | C4 | C6 | H41 | 12.9° | 150.3° |
| C5 | C4 | C6 | H42 | 132.5° | 30.3° |
| C8 | C10 | O2 | C11 | 119.8° | 120.1° |
| C8 | C10 | O2 | H4 | 119.1° | 120.0° |
| C8 | C10 | C11 | H4 | 119.4° | 120.0° |
| C8 | C10 | O2 | C23 | 127.8° | 141.1° |
| C10 | C8 | N | H1 | 54.9° | 94.7° |
| C8 | C10 | C11 | H5 | 180.0° | 174.4° |
| C8 | C10 | C11 | H6 | 60.0° | 54.4° |
| C8 | C10 | C11 | H7 | 60.0° | 65.7° |
| C24 | C23 | O2 | C10 | 43.2° | 66.3° |
| C24 | C23 | O2 | C26 | 120.0° | 120.0° |
| C23 | C24 | H21 | H22 | 120.0° | 120.0° |
| C23 | C24 | H21 | H23 | 120.0° | 120.0° |
| C23 | C24 | H22 | H23 | 120.0° | 119.9° |
| C24 | C23 | C25 | H24 | 180.0° | 60.0° |
| C24 | C23 | C25 | H25 | 60.0° | 60.0° |
| C24 | C23 | C25 | H26 | 60.0° | 180.0° |
| C24 | C23 | C26 | H27 | 61.7° | 179.8° |
| C24 | C23 | C26 | H28 | 178.3° | 60.2° |
| C24 | C23 | C26 | H29 | 58.3° | 59.8° |
| O2 | C10 | C11 | H4 | 121.9° | 119.9° |
| C10 | O2 | C23 | C26 | 163.2° | 53.7° |
| O2 | C10 | C11 | H5 | 61.3° | 65.5° |
| O2 | C10 | C11 | H6 | 178.7° | 174.4° |
| O2 | C10 | C11 | H7 | 58.7° | 54.4° |
| O2 | C10 | C8 | H43 | 60.1° | 175.0° |
| C11 | C10 | O2 | C23 | 112.4° | 98.9° |
| C10 | C11 | H5 | H6 | 120.0° | 120.0° |
| C10 | C11 | H5 | H7 | 120.0° | 119.9° |
| C10 | C11 | H6 | H7 | 120.0° | 120.0° |
| C11 | C10 | C8 | H43 | 60.7° | 65.0° |
| C23 | O2 | C10 | H4 | 8.7° | 21.1° |
| O2 | C23 | C24 | H21 | 56.8° | 60.0° |
| O2 | C23 | C24 | H22 | 176.8° | 180.0° |
| O2 | C23 | C24 | H23 | 63.2° | 60.0° |
| O2 | C23 | C25 | H24 | 56.9° | 60.0° |
| O2 | C23 | C25 | H25 | 63.1° | 180.0° |
| O2 | C23 | C25 | H26 | 176.9° | 60.0° |
| O2 | C23 | C26 | H27 | 59.4° | 59.9° |
| O2 | C23 | C26 | H28 | 60.7° | 179.8° |
| O2 | C23 | C26 | H29 | 179.4° | 60.2° |
| C26 | C23 | C24 | H21 | 61.5° | 60.0° |
| C26 | C23 | C24 | H22 | 58.5° | 60.0° |
| C26 | C23 | C24 | H23 | 178.5° | 180.0° |
| C26 | C23 | C25 | H24 | 60.8° | 180.0° |
| C26 | C23 | C25 | H25 | 179.2° | 60.0° |
| C26 | C23 | C25 | H26 | 59.2° | 60.0° |
| C23 | C26 | H27 | H28 | 120.0° | 119.9° |
| C23 | C26 | H27 | H29 | 120.0° | 120.0° |
| C23 | C26 | H28 | H29 | 120.0° | 120.0° |
| C1 | C | C5 | H2 | 180.0° | 179.7° |
| C | C1 | C2 | H17 | 179.7° | 179.9° |
| C1 | C | C5 | H40 | 179.8° | 179.9° |
| C5 | C | C1 | H3 | 179.9° | 179.7° |
| H1 | N | C8 | H43 | 171.8° | 145.3° |
| H2 | C | C1 | H3 | 0.1° | 0.1° |
| H2 | C | C5 | H40 | 0.2° | 0.3° |
| H3 | C1 | C2 | H17 | 0.3° | 0.0° |
| H4 | C10 | C11 | H5 | 60.6° | 54.4° |
| H4 | C10 | C11 | H6 | 59.4° | 65.6° |
| H4 | C10 | C11 | H7 | 179.4° | 174.3° |
| H4 | C10 | C8 | H43 | 180.0° | 55.0° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H8 | C12 | C14 | H9 | 151.8° | 55.8° |
| H8 | C12 | C14 | H10 | 89.7° | 64.2° |
| H8 | C12 | N1 | H44 | 131.8° | 132.5° |
| H11 | C16 | C17 | H12 | 35.3° | 65.0° |
| H11 | C16 | C17 | H13 | 154.6° | 55.0° |
| H11 | C16 | C18 | H14 | 53.9° | 174.3° |
| H11 | C16 | C18 | H15 | 174.6° | 65.8° |
| H11 | C16 | N2 | H45 | 175.3° | 150.9° |
| H12 | C17 | O6 | H46 | 59.6° | 60.0° |
| H13 | C17 | O6 | H46 | 59.6° | 60.0° |
| H14 | C18 | C19 | H16 | 148.5° | 62.3° |
| H15 | C18 | C19 | H16 | 90.9° | 177.7° |
| H16 | C19 | C20 | H18 | 126.9° | 147.9° |
| H16 | C19 | C20 | H19 | 5.8° | 24.2° |
| H17 | C2 | C3 | H39 | 0.5° | 0.0° |
| H18 | C20 | C21 | H20 | 126.7° | 26.3° |
| H18 | C20 | C21 | H47 | 5.5° | 148.2° |
| H19 | C20 | C21 | H20 | 5.6° | 97.4° |
| H19 | C20 | C21 | H47 | 115.6° | 24.5° |
| H20 | C21 | N3 | H48 | 67.2° | 43.9° |
| H21 | C24 | H22 | H23 | 120.0° | 120.1° |
| H24 | C25 | H25 | H26 | 120.0° | 120.1° |
| H27 | C26 | H28 | H29 | 120.0° | 120.1° |
| H30 | C27 | H31 | H32 | 120.0° | 119.9° |
| H33 | C28 | H34 | H35 | 120.0° | 120.0° |
| H36 | C29 | H37 | H38 | 120.0° | 120.1° |
| H47 | C21 | N3 | H48 | 54.0° | 78.1° |
