A1INQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C21 | C20 | sing | 1.54Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.52Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.50Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C20 | N4 | sing | 1.47Å | 1.47Å | |
| C20 | C19 | sing | 1.51Å | 1.54Å | |
| N4 | C25 | sing | 1.35Å | 1.35Å | |
| N4 | C24 | sing | 1.47Å | 1.48Å | |
| O6 | C25 | doub | 1.22Å | 1.22Å | |
| C25 | C26 | sing | 1.50Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C27 | C32 | sing | 1.53Å | 1.53Å | |
| O5 | C19 | doub | 1.21Å | 1.18Å | |
| C19 | O4 | sing | 1.34Å | 1.34Å | |
| C26 | C4 | sing | 1.51Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.50Å | |
| O4 | C18 | sing | 1.45Å | 1.46Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.48Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| C13 | C14 | doub | 1.35Å | 1.35Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.48Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | C9 | sing | 1.53Å | 1.50Å | |
| C12 | N1 | sing | 1.47Å | 1.46Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| N1 | N3 | sing | 1.29Å | 1.35Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.48Å | |
| C6 | O3 | sing | 1.36Å | 1.38Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | N2 | sing | 1.34Å | 1.35Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| O3 | C9 | sing | 1.43Å | 1.42Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C7 | O2 | sing | 1.36Å | 1.38Å | |
| N3 | N2 | doub | 1.29Å | 1.32Å | Aromatic |
| O2 | C8 | sing | 1.43Å | 1.42Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.08Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C31 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | H45 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 111.1° | 108.8° |
| C21 | C22 | C23 | 109.8° | 110.7° |
| C22 | C21 | H28 | 109.1° | 109.6° |
| C22 | C21 | H27 | 109.0° | 109.7° |
| C21 | C22 | H29 | 109.4° | 109.3° |
| C21 | C22 | H30 | 109.4° | 109.3° |
| C21 | C20 | N4 | 111.8° | 109.2° |
| C21 | C20 | C19 | 109.7° | 109.1° |
| C21 | C20 | H26 | 107.1° | 109.1° |
| C20 | C21 | H28 | 109.1° | 109.6° |
| C20 | C21 | H27 | 109.1° | 109.7° |
| C28 | C29 | C30 | 111.4° | 109.5° |
| C29 | C28 | C27 | 112.1° | 109.5° |
| C29 | C28 | H38 | 108.8° | 109.5° |
| C29 | C28 | H37 | 108.8° | 109.4° |
| C28 | C29 | H39 | 109.0° | 109.5° |
| C28 | C29 | H40 | 109.0° | 109.5° |
| C29 | C30 | C31 | 110.3° | 109.4° |
| C30 | C29 | H39 | 109.0° | 109.4° |
| C30 | C29 | H40 | 109.0° | 109.5° |
| C29 | C30 | H41 | 109.3° | 109.5° |
| C29 | C30 | H42 | 109.3° | 109.5° |
| C28 | C27 | C26 | 110.8° | 109.4° |
| C28 | C27 | C32 | 107.8° | 109.4° |
| C28 | C27 | H36 | 108.8° | 109.5° |
| C27 | C28 | H38 | 108.8° | 109.5° |
| C27 | C28 | H37 | 108.8° | 109.5° |
| C22 | C23 | C24 | 111.5° | 111.0° |
| C23 | C22 | H29 | 109.4° | 109.1° |
| C23 | C22 | H30 | 109.4° | 109.2° |
| C22 | C23 | H31 | 109.0° | 109.2° |
| C22 | C23 | H32 | 109.0° | 109.1° |
| C30 | C31 | C32 | 112.3° | 109.5° |
| C31 | C30 | H41 | 109.3° | 109.5° |
| C31 | C30 | H42 | 109.3° | 109.5° |
| C30 | C31 | H43 | 108.8° | 109.5° |
| C30 | C31 | H44 | 108.8° | 109.5° |
| C23 | C24 | N4 | 112.9° | 109.8° |
| C24 | C23 | H31 | 108.9° | 109.0° |
| C24 | C23 | H32 | 109.0° | 108.9° |
| C23 | C24 | H33 | 108.6° | 108.7° |
| C23 | C24 | H34 | 108.6° | 108.9° |
| N4 | C20 | C19 | 113.0° | 109.7° |
| C20 | N4 | C25 | 117.2° | 119.8° |
| C20 | N4 | C24 | 116.9° | 118.7° |
| N4 | C20 | H26 | 107.9° | 109.8° |
| C20 | C19 | O5 | 123.1° | 119.4° |
| C20 | C19 | O4 | 112.1° | 120.3° |
| C19 | C20 | H26 | 107.1° | 109.8° |
| C25 | N4 | C24 | 124.8° | 121.5° |
| N4 | C25 | O6 | 122.7° | 118.8° |
| N4 | C25 | C26 | 119.2° | 121.0° |
| N4 | C24 | H33 | 108.6° | 109.2° |
| N4 | C24 | H34 | 108.6° | 110.9° |
| O6 | C25 | C26 | 117.8° | 120.2° |
| C25 | C26 | C27 | 112.0° | 108.9° |
| C25 | C26 | C4 | 109.5° | 112.1° |
| C25 | C26 | H35 | 107.7° | 109.8° |
| C26 | C27 | C32 | 112.0° | 109.5° |
| C27 | C26 | C4 | 112.2° | 108.9° |
| C27 | C26 | H35 | 107.5° | 108.9° |
| C26 | C27 | H36 | 108.6° | 109.5° |
| C27 | C32 | C31 | 111.8° | 109.5° |
| C32 | C27 | H36 | 108.8° | 109.5° |
| C27 | C32 | H46 | 108.9° | 109.4° |
| C27 | C32 | H45 | 108.9° | 109.5° |
| O5 | C19 | O4 | 124.8° | 120.3° |
| C19 | O4 | C18 | 115.7° | 118.1° |
| C26 | C4 | C5 | 119.8° | 122.1° |
| C26 | C4 | C3 | 120.8° | 118.4° |
| C4 | C26 | H35 | 107.7° | 108.2° |
| C32 | C31 | H43 | 108.8° | 109.4° |
| C32 | C31 | H44 | 108.7° | 109.5° |
| C31 | C32 | H46 | 108.9° | 109.5° |
| C31 | C32 | H45 | 108.9° | 109.5° |
| O4 | C18 | C17 | 110.7° | 109.6° |
| O4 | C18 | H25 | 109.2° | 109.9° |
| O4 | C18 | H24 | 109.2° | 109.3° |
| C5 | C4 | C3 | 119.3° | 119.5° |
| C4 | C5 | C6 | 121.3° | 120.6° |
| C4 | C5 | H5 | 119.3° | 120.8° |
| C4 | C3 | C2 | 120.2° | 120.4° |
| C4 | C3 | H4 | 119.9° | 120.1° |
| C5 | C6 | O3 | 124.7° | 120.5° |
| C5 | C6 | C7 | 119.5° | 119.8° |
| C6 | C5 | H5 | 119.4° | 118.6° |
| C18 | C17 | C16 | 110.3° | 109.8° |
| C18 | C17 | H23 | 109.2° | 109.2° |
| C18 | C17 | H22 | 109.3° | 109.5° |
| C17 | C18 | H25 | 109.1° | 109.4° |
| C17 | C18 | H24 | 109.1° | 109.5° |
| C3 | C2 | C7 | 120.1° | 119.9° |
| C3 | C2 | O1 | 123.6° | 120.0° |
| C2 | C3 | H4 | 119.9° | 119.5° |
| N1 | C13 | C14 | 105.7° | 106.4° |
| C13 | N1 | C12 | 127.9° | 125.5° |
| C13 | N1 | N3 | 110.4° | 108.1° |
| N1 | C13 | H17 | 127.2° | 126.9° |
| C13 | C14 | C15 | 130.3° | 126.5° |
| C13 | C14 | N2 | 108.2° | 106.3° |
| C14 | C13 | H17 | 127.2° | 126.7° |
| C17 | C16 | C15 | 109.4° | 109.8° |
| C17 | C16 | H21 | 109.5° | 109.6° |
| C17 | C16 | H20 | 109.5° | 109.4° |
| C16 | C17 | H23 | 109.3° | 109.4° |
| C16 | C17 | H22 | 109.3° | 109.6° |
| C12 | C11 | C9 | 103.6° | 110.9° |
| C11 | C12 | N1 | 110.3° | 109.2° |
| C12 | C11 | H14 | 110.9° | 109.2° |
| C12 | C11 | H13 | 110.9° | 109.8° |
| C11 | C12 | H15 | 109.3° | 110.8° |
| C11 | C12 | H16 | 109.3° | 109.2° |
| C11 | C9 | O3 | 111.3° | 108.6° |
| C11 | C9 | C10 | 114.0° | 110.0° |
| C9 | C11 | H14 | 110.9° | 109.0° |
| C9 | C11 | H13 | 110.9° | 109.3° |
| C11 | C9 | H9 | 108.8° | 109.4° |
| C12 | N1 | N3 | 121.7° | 126.3° |
| N1 | C12 | H15 | 109.3° | 109.8° |
| N1 | C12 | H16 | 109.3° | 108.9° |
| C16 | C15 | C14 | 103.0° | 109.5° |
| C16 | C15 | H19 | 111.1° | 109.6° |
| C16 | C15 | H18 | 111.1° | 109.4° |
| C15 | C16 | H21 | 109.5° | 109.4° |
| C15 | C16 | H20 | 109.5° | 109.5° |
| N1 | N3 | N2 | 106.7° | 110.1° |
| C15 | C14 | N2 | 121.1° | 127.1° |
| C14 | C15 | H19 | 111.1° | 109.5° |
| C14 | C15 | H18 | 111.1° | 109.4° |
| O3 | C6 | C7 | 115.6° | 119.8° |
| C6 | O3 | C9 | 134.4° | 119.2° |
| C6 | C7 | C2 | 119.5° | 119.8° |
| C6 | C7 | O2 | 120.2° | 120.2° |
| C14 | N2 | N3 | 108.9° | 109.0° |
| C7 | C2 | O1 | 116.3° | 120.0° |
| C2 | C7 | O2 | 120.0° | 120.1° |
| C2 | O1 | C1 | 119.5° | 117.1° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O3 | C9 | C10 | 103.9° | 109.7° |
| O3 | C9 | H9 | 110.0° | 109.5° |
| C10 | C9 | H9 | 108.8° | 109.6° |
| C9 | C10 | H12 | 109.5° | 109.5° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| C9 | C10 | H11 | 109.5° | 109.4° |
| C7 | O2 | C8 | 116.0° | 117.0° |
| O2 | C8 | H7 | 109.5° | 109.5° |
| O2 | C8 | H8 | 109.4° | 109.5° |
| O2 | C8 | H6 | 109.5° | 109.5° |
| H14 | C11 | H13 | 109.5° | 108.6° |
| H7 | C8 | H8 | 109.5° | 109.4° |
| H7 | C8 | H6 | 109.5° | 109.5° |
| H8 | C8 | H6 | 109.5° | 109.4° |
| H12 | C10 | H10 | 109.4° | 109.6° |
| H12 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 108.9° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H1 | 109.4° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.4° |
| H19 | C15 | H18 | 109.5° | 109.5° |
| H21 | C16 | H20 | 109.5° | 109.2° |
| H23 | C17 | H22 | 109.4° | 109.3° |
| H25 | C18 | H24 | 109.5° | 109.1° |
| H28 | C21 | H27 | 109.5° | 109.5° |
| H29 | C22 | H30 | 109.5° | 109.2° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| H33 | C24 | H34 | 109.5° | 109.3° |
| H38 | C28 | H37 | 109.5° | 109.4° |
| H39 | C29 | H40 | 109.4° | 109.5° |
| H41 | C30 | H42 | 109.5° | 109.5° |
| H43 | C31 | H44 | 109.5° | 109.5° |
| H46 | C32 | H45 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | H28 | 120.2° | 119.7° |
| C22 | C21 | C20 | H27 | 120.2° | 120.0° |
| C21 | C22 | C23 | H29 | 120.1° | 120.3° |
| C21 | C22 | C23 | H30 | 120.1° | 120.4° |
| C21 | C22 | C23 | C24 | 57.3° | 41.2° |
| C22 | C21 | C20 | N4 | 52.9° | 29.0° |
| C22 | C21 | C20 | C19 | 73.3° | 148.9° |
| C22 | C21 | C20 | H26 | 170.8° | 91.1° |
| C22 | C21 | H28 | H27 | 119.3° | 120.4° |
| C21 | C22 | H29 | H30 | 119.9° | 119.5° |
| C21 | C22 | C23 | H31 | 177.5° | 79.1° |
| C21 | C22 | C23 | H32 | 63.1° | 161.2° |
| C20 | C21 | C22 | C23 | 58.9° | 67.9° |
| C21 | C20 | N4 | C19 | 124.4° | 119.6° |
| C21 | C20 | N4 | H26 | 117.5° | 119.7° |
| C21 | C20 | C19 | H26 | 115.9° | 119.6° |
| C21 | C20 | N4 | C25 | 145.1° | 144.6° |
| C21 | C20 | N4 | C24 | 46.2° | 34.0° |
| C21 | C20 | C19 | O5 | 51.5° | 80.7° |
| C21 | C20 | C19 | O4 | 131.2° | 99.0° |
| C20 | C21 | H28 | H27 | 119.3° | 120.3° |
| C20 | C21 | C22 | H29 | 61.2° | 171.9° |
| C20 | C21 | C22 | H30 | 178.9° | 52.5° |
| C28 | C29 | C30 | H39 | 120.3° | 120.0° |
| C28 | C29 | C30 | H40 | 120.3° | 120.1° |
| C29 | C28 | C27 | H38 | 120.4° | 120.0° |
| C29 | C28 | C27 | H37 | 120.4° | 120.0° |
| C28 | C29 | C30 | C31 | 54.4° | 60.0° |
| C29 | C28 | C27 | C26 | 179.6° | 180.0° |
| C29 | C28 | C27 | C32 | 56.7° | 60.0° |
| C29 | C28 | C27 | H36 | 61.1° | 60.0° |
| C29 | C28 | H38 | H37 | 118.8° | 119.9° |
| C28 | C29 | H39 | H40 | 119.1° | 120.0° |
| C28 | C29 | C30 | H41 | 65.7° | 59.9° |
| C28 | C29 | C30 | H42 | 174.6° | 180.0° |
| C30 | C29 | C28 | C27 | 57.0° | 60.0° |
| C29 | C30 | C31 | H41 | 120.1° | 120.0° |
| C29 | C30 | C31 | H42 | 120.1° | 120.0° |
| C29 | C30 | C31 | C32 | 55.0° | 60.0° |
| C30 | C29 | C28 | H38 | 177.4° | 60.0° |
| C30 | C29 | C28 | H37 | 63.4° | 180.0° |
| C30 | C29 | H39 | H40 | 119.1° | 120.0° |
| C29 | C30 | H41 | H42 | 119.6° | 120.0° |
| C29 | C30 | C31 | H43 | 175.4° | 179.9° |
| C29 | C30 | C31 | H44 | 65.4° | 60.0° |
| C28 | C27 | C26 | C25 | 66.3° | 58.6° |
| C28 | C27 | C26 | C32 | 120.4° | 120.0° |
| C28 | C27 | C26 | H36 | 119.4° | 120.0° |
| C28 | C27 | C32 | H36 | 117.8° | 120.0° |
| C28 | C27 | C26 | C4 | 170.1° | 63.9° |
| C28 | C27 | C32 | C31 | 56.5° | 60.0° |
| C28 | C27 | C26 | H35 | 51.8° | 178.3° |
| C27 | C28 | H38 | H37 | 118.8° | 120.0° |
| C27 | C28 | C29 | H39 | 177.3° | 180.0° |
| C27 | C28 | C29 | H40 | 63.3° | 60.0° |
| C28 | C27 | C32 | H46 | 176.9° | 180.0° |
| C28 | C27 | C32 | H45 | 63.8° | 60.0° |
| C22 | C23 | C24 | H31 | 120.3° | 120.4° |
| C22 | C23 | C24 | H32 | 120.3° | 120.1° |
| C22 | C23 | C24 | N4 | 49.4° | 18.4° |
| C23 | C22 | C21 | H28 | 61.3° | 51.9° |
| C23 | C22 | C21 | H27 | 179.1° | 172.2° |
| C23 | C22 | H29 | H30 | 119.8° | 119.3° |
| C22 | C23 | H31 | H32 | 119.1° | 119.4° |
| C22 | C23 | C24 | H33 | 71.1° | 101.0° |
| C22 | C23 | C24 | H34 | 169.9° | 139.9° |
| C30 | C31 | C32 | C27 | 57.6° | 60.0° |
| C30 | C31 | C32 | H43 | 120.5° | 120.0° |
| C30 | C31 | C32 | H44 | 120.4° | 120.0° |
| C31 | C30 | C29 | H39 | 174.7° | 180.0° |
| C31 | C30 | C29 | H40 | 65.9° | 60.0° |
| C31 | C30 | H41 | H42 | 119.6° | 120.0° |
| C30 | C31 | H43 | H44 | 118.7° | 120.1° |
| C30 | C31 | C32 | H46 | 177.9° | 180.0° |
| C30 | C31 | C32 | H45 | 62.8° | 60.0° |
| C23 | C24 | N4 | C20 | 45.0° | 60.8° |
| C23 | C24 | N4 | C25 | 147.4° | 117.8° |
| C23 | C24 | N4 | H33 | 120.5° | 119.1° |
| C23 | C24 | N4 | H34 | 120.5° | 120.4° |
| C24 | C23 | C22 | H29 | 62.8° | 161.5° |
| C24 | C23 | C22 | H30 | 177.3° | 79.2° |
| C24 | C23 | H31 | H32 | 119.1° | 119.1° |
| C23 | C24 | H33 | H34 | 118.4° | 118.8° |
| N4 | C20 | C19 | H26 | 118.6° | 120.8° |
| C20 | N4 | C25 | C24 | 167.7° | 178.6° |
| C20 | N4 | C25 | O6 | 1.0° | 8.8° |
| C20 | N4 | C25 | C26 | 173.3° | 173.2° |
| N4 | C20 | C19 | O5 | 177.0° | 39.0° |
| N4 | C20 | C19 | O4 | 5.7° | 141.4° |
| N4 | C20 | C21 | H28 | 67.4° | 90.7° |
| N4 | C20 | C21 | H27 | 173.1° | 149.0° |
| C20 | N4 | C24 | H33 | 75.6° | 58.3° |
| C20 | N4 | C24 | H34 | 165.5° | 178.8° |
| C19 | C20 | N4 | C25 | 90.5° | 95.8° |
| C19 | C20 | N4 | C24 | 78.1° | 85.5° |
| C20 | C19 | O5 | O4 | 177.0° | 179.6° |
| C20 | C19 | O4 | C18 | 177.2° | 177.5° |
| C19 | C20 | C21 | H28 | 166.5° | 29.1° |
| C19 | C20 | C21 | H27 | 46.9° | 91.1° |
| N4 | C25 | O6 | C26 | 174.4° | 178.0° |
| N4 | C25 | C26 | C27 | 155.4° | 97.4° |
| N4 | C25 | C26 | C4 | 79.4° | 142.0° |
| C25 | N4 | C20 | H26 | 27.6° | 24.9° |
| C25 | N4 | C24 | H33 | 92.1° | 123.1° |
| C25 | N4 | C24 | H34 | 26.8° | 2.7° |
| N4 | C25 | C26 | H35 | 37.4° | 21.8° |
| C24 | N4 | C25 | O6 | 168.6° | 169.8° |
| C24 | N4 | C25 | C26 | 5.6° | 8.2° |
| C24 | N4 | C20 | H26 | 163.7° | 153.7° |
| N4 | C24 | C23 | H31 | 169.7° | 138.7° |
| N4 | C24 | C23 | H32 | 70.9° | 101.8° |
| N4 | C24 | H33 | H34 | 118.4° | 121.4° |
| O6 | C25 | C26 | C27 | 30.0° | 80.6° |
| O6 | C25 | C26 | C4 | 95.1° | 40.0° |
| O6 | C25 | C26 | H35 | 148.0° | 160.2° |
| C25 | C26 | C27 | C4 | 123.7° | 122.5° |
| C25 | C26 | C27 | H35 | 118.1° | 119.7° |
| C25 | C26 | C27 | C32 | 173.4° | 61.4° |
| C25 | C26 | C4 | H35 | 116.8° | 121.2° |
| C25 | C26 | C4 | C5 | 130.8° | 4.7° |
| C25 | C26 | C4 | C3 | 51.9° | 175.0° |
| C25 | C26 | C27 | H36 | 53.2° | 178.6° |
| C26 | C27 | C32 | H36 | 120.1° | 120.1° |
| C27 | C26 | C4 | H35 | 118.1° | 118.3° |
| C26 | C27 | C32 | C31 | 178.6° | 180.0° |
| C27 | C26 | C4 | C5 | 104.2° | 125.3° |
| C27 | C26 | C4 | C3 | 73.1° | 54.4° |
| C26 | C27 | C28 | H38 | 60.0° | 60.0° |
| C26 | C27 | C28 | H37 | 59.2° | 60.0° |
| C26 | C27 | C32 | H46 | 61.0° | 60.0° |
| C26 | C27 | C32 | H45 | 58.3° | 60.0° |
| C32 | C27 | C26 | C4 | 49.7° | 176.1° |
| C27 | C32 | C31 | H46 | 120.4° | 119.9° |
| C27 | C32 | C31 | H45 | 120.4° | 120.0° |
| C32 | C27 | C26 | H35 | 68.5° | 58.4° |
| C32 | C27 | C28 | H38 | 177.1° | 60.0° |
| C32 | C27 | C28 | H37 | 63.7° | 180.0° |
| C27 | C32 | C31 | H43 | 178.0° | 180.0° |
| C27 | C32 | C31 | H44 | 62.9° | 60.0° |
| C27 | C32 | H46 | H45 | 119.0° | 120.0° |
| O5 | C19 | O4 | C18 | 0.1° | 2.1° |
| O5 | C19 | C20 | H26 | 64.4° | 159.8° |
| C19 | O4 | C18 | C17 | 94.3° | 105.7° |
| C19 | O4 | C18 | H25 | 145.5° | 14.6° |
| C19 | O4 | C18 | H24 | 25.9° | 134.3° |
| O4 | C19 | C20 | H26 | 112.9° | 20.6° |
| C26 | C4 | C5 | C3 | 177.3° | 179.7° |
| C26 | C4 | C5 | C6 | 178.9° | 178.7° |
| C26 | C4 | C3 | C2 | 178.9° | 178.8° |
| C26 | C4 | C5 | H5 | 1.0° | 2.4° |
| C26 | C4 | C3 | H4 | 1.1° | 1.9° |
| C4 | C26 | C27 | H36 | 70.5° | 56.1° |
| C31 | C32 | C27 | H36 | 61.2° | 59.9° |
| C32 | C31 | C30 | H41 | 65.2° | 60.0° |
| C32 | C31 | C30 | H42 | 175.1° | 180.0° |
| C32 | C31 | H43 | H44 | 118.7° | 120.0° |
| C31 | C32 | H46 | H45 | 118.9° | 120.0° |
| O4 | C18 | C17 | H25 | 120.2° | 120.6° |
| O4 | C18 | C17 | H24 | 120.2° | 119.9° |
| O4 | C18 | C17 | C16 | 66.2° | 109.6° |
| O4 | C18 | C17 | H23 | 173.6° | 10.3° |
| O4 | C18 | C17 | H22 | 53.9° | 130.0° |
| O4 | C18 | H25 | H24 | 119.5° | 119.8° |
| C4 | C5 | C6 | H5 | 180.0° | 179.0° |
| C5 | C4 | C3 | C2 | 1.6° | 0.9° |
| C4 | C5 | C6 | O3 | 175.0° | 179.0° |
| C4 | C5 | C6 | C7 | 0.4° | 0.5° |
| C5 | C4 | C3 | H4 | 178.4° | 178.4° |
| C5 | C4 | C26 | H35 | 13.9° | 116.5° |
| C3 | C4 | C5 | C6 | 1.6° | 1.0° |
| C4 | C3 | C2 | H4 | 180.0° | 179.3° |
| C4 | C3 | C2 | C7 | 0.3° | 0.4° |
| C4 | C3 | C2 | O1 | 178.6° | 179.6° |
| C3 | C4 | C5 | H5 | 178.4° | 177.9° |
| C3 | C4 | C26 | H35 | 168.8° | 63.8° |
| C5 | C6 | O3 | C7 | 175.5° | 179.6° |
| C5 | C6 | C7 | C2 | 2.3° | 0.0° |
| C5 | C6 | O3 | C9 | 72.7° | 100.2° |
| C5 | C6 | C7 | O2 | 177.0° | 179.8° |
| C18 | C17 | C16 | H23 | 120.1° | 119.8° |
| C18 | C17 | C16 | H22 | 120.2° | 120.3° |
| C18 | C17 | C16 | C15 | 160.3° | 127.8° |
| C18 | C17 | C16 | H21 | 40.3° | 7.6° |
| C18 | C17 | C16 | H20 | 79.7° | 112.1° |
| C18 | C17 | H23 | H22 | 119.6° | 119.8° |
| C17 | C18 | H25 | H24 | 119.4° | 119.8° |
| C3 | C2 | C7 | C6 | 2.3° | 0.1° |
| C3 | C2 | C7 | O1 | 179.0° | 180.0° |
| C3 | C2 | O1 | C1 | 4.1° | 0.0° |
| C3 | C2 | C7 | O2 | 177.0° | 179.8° |
| N1 | C13 | C14 | H17 | 180.0° | 179.9° |
| C13 | N1 | C12 | C11 | 86.1° | 36.3° |
| C13 | N1 | C12 | N3 | 178.8° | 179.7° |
| N1 | C13 | C14 | C15 | 176.6° | 179.3° |
| N1 | C13 | C14 | N2 | 4.2° | 0.6° |
| C13 | N1 | N3 | N2 | 0.6° | 0.6° |
| C13 | N1 | C12 | H15 | 34.1° | 85.5° |
| C13 | N1 | C12 | H16 | 153.8° | 155.4° |
| C14 | C13 | N1 | C12 | 178.8° | 179.0° |
| C13 | C14 | C15 | C16 | 74.8° | 35.5° |
| C14 | C13 | N1 | N3 | 2.3° | 0.7° |
| C13 | C14 | C15 | N2 | 171.6° | 179.8° |
| C13 | C14 | N2 | N3 | 4.7° | 0.3° |
| C13 | C14 | C15 | H19 | 166.3° | 84.7° |
| C13 | C14 | C15 | H18 | 44.2° | 155.3° |
| C17 | C16 | C15 | H21 | 120.0° | 120.3° |
| C17 | C16 | C15 | H20 | 120.0° | 120.1° |
| C17 | C16 | C15 | C14 | 165.3° | 77.5° |
| C17 | C16 | C15 | H19 | 75.8° | 42.7° |
| C17 | C16 | C15 | H18 | 46.3° | 162.6° |
| C17 | C16 | H21 | H20 | 120.0° | 119.8° |
| C16 | C17 | H23 | H22 | 119.6° | 120.0° |
| C16 | C17 | C18 | H25 | 54.0° | 129.8° |
| C16 | C17 | C18 | H24 | 173.6° | 10.2° |
| C12 | C11 | C9 | H14 | 119.1° | 120.2° |
| C12 | C11 | C9 | H13 | 119.0° | 121.2° |
| C11 | C12 | N1 | H15 | 120.1° | 121.7° |
| C11 | C12 | N1 | H16 | 120.1° | 119.1° |
| C11 | C12 | N1 | N3 | 92.7° | 143.4° |
| C12 | C11 | C9 | O3 | 144.2° | 173.1° |
| C12 | C11 | C9 | C10 | 98.8° | 66.8° |
| C12 | C11 | H14 | H13 | 122.7° | 119.8° |
| C12 | C11 | C9 | H9 | 22.8° | 53.6° |
| C11 | C12 | H15 | H16 | 119.6° | 120.1° |
| C9 | C11 | C12 | N1 | 46.0° | 125.4° |
| C11 | C9 | O3 | C6 | 62.2° | 157.4° |
| C11 | C9 | O3 | C10 | 123.0° | 120.3° |
| C11 | C9 | O3 | H9 | 120.6° | 119.4° |
| C11 | C9 | C10 | H9 | 121.6° | 120.3° |
| C9 | C11 | H14 | H13 | 122.7° | 119.0° |
| C11 | C9 | C10 | H12 | 180.0° | 60.0° |
| C11 | C9 | C10 | H10 | 60.0° | 179.9° |
| C11 | C9 | C10 | H11 | 60.0° | 60.0° |
| C9 | C11 | C12 | H15 | 166.1° | 4.3° |
| C9 | C11 | C12 | H16 | 74.1° | 115.7° |
| C12 | N1 | N3 | N2 | 178.4° | 179.1° |
| N1 | C12 | C11 | H14 | 165.0° | 114.5° |
| N1 | C12 | C11 | H13 | 73.1° | 4.5° |
| N1 | C12 | H15 | H16 | 119.6° | 119.1° |
| C12 | N1 | C13 | H17 | 1.2° | 1.1° |
| C16 | C15 | C14 | H19 | 118.9° | 120.2° |
| C16 | C15 | C14 | H18 | 119.0° | 119.8° |
| C16 | C15 | C14 | N2 | 96.8° | 144.4° |
| C16 | C15 | H19 | H18 | 123.0° | 119.9° |
| C15 | C16 | H21 | H20 | 120.0° | 119.8° |
| C15 | C16 | C17 | H23 | 79.5° | 112.4° |
| C15 | C16 | C17 | H22 | 40.2° | 7.4° |
| N1 | N3 | N2 | C14 | 3.3° | 0.2° |
| N3 | N1 | C12 | H15 | 147.2° | 94.9° |
| N3 | N1 | C12 | H16 | 27.4° | 24.3° |
| N3 | N1 | C13 | H17 | 177.7° | 179.2° |
| C15 | C14 | N2 | N3 | 178.0° | 179.6° |
| C15 | C14 | C13 | H17 | 3.4° | 0.8° |
| C14 | C15 | H19 | H18 | 123.0° | 119.9° |
| C14 | C15 | C16 | H21 | 45.3° | 162.2° |
| C14 | C15 | C16 | H20 | 74.7° | 42.6° |
| O3 | C6 | C7 | C2 | 173.5° | 179.6° |
| C6 | O3 | C9 | C10 | 174.8° | 37.1° |
| O3 | C6 | C7 | O2 | 1.3° | 0.3° |
| O3 | C6 | C5 | H5 | 5.0° | 2.0° |
| C6 | O3 | C9 | H9 | 58.4° | 83.2° |
| C6 | C7 | C2 | O2 | 174.8° | 179.9° |
| C6 | C7 | C2 | O1 | 176.7° | 179.9° |
| C7 | C6 | O3 | C9 | 111.8° | 80.3° |
| C6 | C7 | O2 | C8 | 106.7° | 89.9° |
| C7 | C6 | C5 | H5 | 179.7° | 178.4° |
| N2 | C14 | C13 | H17 | 175.8° | 179.3° |
| N2 | C14 | C15 | H19 | 22.2° | 95.5° |
| N2 | C14 | C15 | H18 | 144.2° | 24.5° |
| C7 | C2 | O1 | C1 | 174.8° | 180.0° |
| C2 | C7 | O2 | C8 | 78.5° | 90.0° |
| C7 | C2 | C3 | H4 | 179.7° | 178.9° |
| O1 | C2 | C7 | O2 | 1.9° | 0.2° |
| O1 | C2 | C3 | H4 | 1.4° | 1.1° |
| C2 | O1 | C1 | H2 | 180.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| C2 | O1 | C1 | H1 | 60.0° | 180.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H1 | 120.0° | 120.1° |
| O1 | C1 | H3 | H1 | 120.0° | 120.1° |
| O3 | C9 | C10 | H9 | 117.1° | 120.2° |
| O3 | C9 | C11 | H14 | 96.8° | 52.9° |
| O3 | C9 | C11 | H13 | 25.1° | 65.7° |
| O3 | C9 | C10 | H12 | 58.7° | 59.5° |
| O3 | C9 | C10 | H10 | 178.7° | 60.6° |
| O3 | C9 | C10 | H11 | 61.3° | 179.5° |
| C10 | C9 | C11 | H14 | 20.3° | 173.0° |
| C10 | C9 | C11 | H13 | 142.2° | 54.4° |
| C9 | C10 | H12 | H10 | 120.0° | 120.0° |
| C9 | C10 | H12 | H11 | 120.0° | 120.0° |
| C9 | C10 | H10 | H11 | 120.0° | 119.9° |
| C7 | O2 | C8 | H7 | 180.0° | 175.7° |
| C7 | O2 | C8 | H8 | 60.0° | 55.7° |
| C7 | O2 | C8 | H6 | 60.0° | 64.3° |
| O2 | C8 | H7 | H8 | 120.0° | 120.0° |
| O2 | C8 | H7 | H6 | 120.0° | 120.0° |
| O2 | C8 | H8 | H6 | 120.0° | 120.0° |
| H14 | C11 | C9 | H9 | 141.9° | 66.6° |
| H14 | C11 | C12 | H15 | 74.9° | 124.4° |
| H14 | C11 | C12 | H16 | 44.9° | 4.4° |
| H13 | C11 | C9 | H9 | 96.2° | 174.8° |
| H13 | C11 | C12 | H15 | 47.0° | 116.6° |
| H13 | C11 | C12 | H16 | 166.8° | 123.5° |
| H7 | C8 | H8 | H6 | 120.0° | 120.0° |
| H9 | C9 | C10 | H12 | 58.4° | 179.7° |
| H9 | C9 | C10 | H10 | 61.6° | 59.6° |
| H9 | C9 | C10 | H11 | 178.4° | 60.3° |
| H12 | C10 | H10 | H11 | 120.0° | 120.0° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H19 | C15 | C16 | H21 | 164.2° | 77.6° |
| H19 | C15 | C16 | H20 | 44.2° | 162.8° |
| H18 | C15 | C16 | H21 | 73.6° | 42.4° |
| H18 | C15 | C16 | H20 | 166.3° | 77.3° |
| H21 | C16 | C17 | H23 | 160.5° | 127.4° |
| H21 | C16 | C17 | H22 | 79.8° | 112.7° |
| H20 | C16 | C17 | H23 | 40.5° | 7.7° |
| H20 | C16 | C17 | H22 | 160.2° | 127.6° |
| H23 | C17 | C18 | H25 | 66.2° | 110.3° |
| H23 | C17 | C18 | H24 | 53.4° | 130.2° |
| H22 | C17 | C18 | H25 | 174.1° | 9.4° |
| H22 | C17 | C18 | H24 | 66.3° | 110.1° |
| H26 | C20 | C21 | H28 | 50.6° | 149.1° |
| H26 | C20 | C21 | H27 | 68.9° | 28.9° |
| H28 | C21 | C22 | H29 | 178.6° | 68.3° |
| H28 | C21 | C22 | H30 | 58.7° | 172.2° |
| H27 | C21 | C22 | H29 | 59.1° | 51.9° |
| H27 | C21 | C22 | H30 | 60.8° | 67.5° |
| H29 | C22 | C23 | H31 | 57.5° | 41.2° |
| H29 | C22 | C23 | H32 | 176.9° | 78.5° |
| H30 | C22 | C23 | H31 | 62.4° | 160.5° |
| H30 | C22 | C23 | H32 | 57.0° | 40.9° |
| H31 | C23 | C24 | H33 | 49.2° | 19.3° |
| H31 | C23 | C24 | H34 | 69.8° | 99.7° |
| H32 | C23 | C24 | H33 | 168.6° | 138.8° |
| H32 | C23 | C24 | H34 | 49.6° | 19.8° |
| H35 | C26 | C27 | H36 | 171.3° | 61.7° |
| H36 | C27 | C28 | H38 | 59.4° | 180.0° |
| H36 | C27 | C28 | H37 | 178.5° | 60.0° |
| H36 | C27 | C32 | H46 | 59.1° | 60.0° |
| H36 | C27 | C32 | H45 | 178.4° | 180.0° |
| H38 | C28 | C29 | H39 | 62.3° | 60.0° |
| H38 | C28 | C29 | H40 | 57.2° | 180.0° |
| H37 | C28 | C29 | H39 | 57.0° | 60.0° |
| H37 | C28 | C29 | H40 | 176.4° | 60.0° |
| H39 | C29 | C30 | H41 | 54.6° | 60.0° |
| H39 | C29 | C30 | H42 | 65.1° | 60.0° |
| H40 | C29 | C30 | H41 | 174.0° | 180.0° |
| H40 | C29 | C30 | H42 | 54.3° | 60.0° |
| H41 | C30 | C31 | H43 | 55.3° | 60.0° |
| H41 | C30 | C31 | H44 | 174.4° | 180.0° |
| H42 | C30 | C31 | H43 | 64.4° | 60.1° |
| H42 | C30 | C31 | H44 | 54.7° | 60.0° |
| H43 | C31 | C32 | H46 | 61.6° | 60.0° |
| H43 | C31 | C32 | H45 | 57.7° | 60.0° |
| H44 | C31 | C32 | H46 | 57.5° | 60.0° |
| H44 | C31 | C32 | H45 | 176.8° | 180.0° |
