A1INP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | sing | 1.53Å | 1.48Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.53Å | 1.50Å | |
| C31 | C30 | sing | 1.53Å | 1.48Å | |
| C32 | C27 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C23 | C24 | sing | 1.53Å | 1.59Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C20 | N4 | sing | 1.47Å | 1.46Å | |
| C20 | C19 | sing | 1.51Å | 1.54Å | |
| N4 | C25 | sing | 1.35Å | 1.37Å | |
| N4 | C24 | sing | 1.47Å | 1.48Å | |
| O6 | C25 | doub | 1.22Å | 1.24Å | |
| C25 | C26 | sing | 1.50Å | 1.56Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.50Å | |
| O5 | C19 | doub | 1.21Å | 1.19Å | |
| C19 | O4 | sing | 1.34Å | 1.33Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C26 | C4 | sing | 1.51Å | 1.52Å | |
| 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 | 1.49Å | |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.48Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C9 | O3 | sing | 1.43Å | 1.44Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C6 | O3 | sing | 1.36Å | 1.37Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.38Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| N2 | C14 | sing | 1.34Å | 1.34Å | Aromatic |
| N2 | N3 | doub | 1.29Å | 1.32Å | Aromatic |
| C14 | C13 | doub | 1.35Å | 1.37Å | Aromatic |
| C7 | O2 | sing | 1.36Å | 1.41Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C10 | C12 | sing | 1.53Å | 1.59Å | |
| N3 | N1 | sing | 1.29Å | 1.32Å | Aromatic |
| C13 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| N1 | C12 | sing | 1.47Å | 1.45Å | |
| O2 | C8 | sing | 1.43Å | 1.42Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | 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 | |
| C9 | 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 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C31 | H43 | sing | 1.09Å | 1.10Å | |
| C32 | H45 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 110.7° | 109.0° |
| C21 | C22 | C23 | 108.6° | 110.6° |
| C22 | C21 | H28 | 109.2° | 109.6° |
| C22 | C21 | H27 | 109.2° | 109.6° |
| C21 | C22 | H29 | 109.7° | 109.4° |
| C21 | C22 | H30 | 109.7° | 109.3° |
| C21 | C20 | N4 | 113.9° | 108.9° |
| C21 | C20 | C19 | 108.6° | 109.3° |
| C21 | C20 | H26 | 107.3° | 109.3° |
| C20 | C21 | H28 | 109.2° | 109.6° |
| C20 | C21 | H27 | 109.2° | 109.6° |
| C32 | C31 | C30 | 113.2° | 109.4° |
| C31 | C32 | C27 | 111.7° | 109.5° |
| C32 | C31 | H44 | 108.6° | 109.5° |
| C32 | C31 | H43 | 108.5° | 109.5° |
| C31 | C32 | H45 | 108.9° | 109.5° |
| C31 | C32 | H46 | 108.9° | 109.4° |
| C31 | C30 | C29 | 110.3° | 109.5° |
| C31 | C30 | H42 | 109.3° | 109.5° |
| C31 | C30 | H41 | 109.2° | 109.5° |
| C30 | C31 | H44 | 108.5° | 109.5° |
| C30 | C31 | H43 | 108.5° | 109.4° |
| C32 | C27 | C26 | 112.5° | 109.5° |
| C32 | C27 | C28 | 108.7° | 109.5° |
| C32 | C27 | H36 | 107.3° | 109.5° |
| C27 | C32 | H45 | 108.9° | 109.4° |
| C27 | C32 | H46 | 108.9° | 109.5° |
| C22 | C23 | C24 | 110.5° | 110.9° |
| C23 | C22 | H29 | 109.7° | 109.1° |
| C23 | C22 | H30 | 109.7° | 109.1° |
| C22 | C23 | H31 | 109.2° | 109.3° |
| C22 | C23 | H32 | 109.2° | 109.1° |
| C23 | C24 | N4 | 108.0° | 109.6° |
| C24 | C23 | H31 | 109.2° | 109.0° |
| C24 | C23 | H32 | 109.2° | 108.9° |
| C23 | C24 | H33 | 109.9° | 108.7° |
| C23 | C24 | H34 | 109.9° | 109.0° |
| C30 | C29 | C28 | 112.0° | 109.4° |
| C30 | C29 | H40 | 108.8° | 109.5° |
| C30 | C29 | H39 | 108.8° | 109.4° |
| C29 | C30 | H42 | 109.2° | 109.4° |
| C29 | C30 | H41 | 109.2° | 109.4° |
| N4 | C20 | C19 | 111.1° | 109.7° |
| C20 | N4 | C25 | 118.1° | 119.8° |
| C20 | N4 | C24 | 119.9° | 118.5° |
| N4 | C20 | H26 | 108.3° | 109.5° |
| C20 | C19 | O5 | 122.6° | 119.8° |
| C20 | C19 | O4 | 112.2° | 120.0° |
| C19 | C20 | H26 | 107.3° | 110.1° |
| C25 | N4 | C24 | 121.0° | 121.8° |
| N4 | C25 | O6 | 121.0° | 118.9° |
| N4 | C25 | C26 | 118.2° | 120.8° |
| N4 | C24 | H33 | 109.8° | 109.1° |
| N4 | C24 | H34 | 109.9° | 110.8° |
| O6 | C25 | C26 | 120.6° | 120.3° |
| C25 | C26 | C27 | 108.9° | 108.7° |
| C25 | C26 | C4 | 109.6° | 111.9° |
| C25 | C26 | H35 | 108.3° | 109.9° |
| C26 | C27 | C28 | 112.9° | 109.5° |
| C27 | C26 | C4 | 112.6° | 108.9° |
| C27 | C26 | H35 | 108.6° | 109.0° |
| C26 | C27 | H36 | 107.4° | 109.5° |
| C27 | C28 | C29 | 115.1° | 109.5° |
| C28 | C27 | H36 | 107.7° | 109.5° |
| C27 | C28 | H37 | 108.0° | 109.5° |
| C27 | C28 | H38 | 108.0° | 109.5° |
| O5 | C19 | O4 | 124.8° | 120.2° |
| C19 | O4 | C18 | 115.7° | 117.9° |
| C29 | C28 | H37 | 108.0° | 109.5° |
| C29 | C28 | H38 | 108.0° | 109.4° |
| C28 | C29 | H40 | 108.8° | 109.5° |
| C28 | C29 | H39 | 108.8° | 109.5° |
| C26 | C4 | C5 | 118.9° | 121.8° |
| C26 | C4 | C3 | 121.0° | 118.7° |
| C4 | C26 | H35 | 108.8° | 108.4° |
| O4 | C18 | C17 | 108.7° | 109.7° |
| O4 | C18 | H25 | 109.6° | 109.8° |
| O4 | C18 | H24 | 109.7° | 109.4° |
| C5 | C4 | C3 | 120.2° | 119.5° |
| C4 | C5 | C6 | 119.7° | 120.5° |
| C4 | C5 | H5 | 120.1° | 120.6° |
| C4 | C3 | C2 | 120.1° | 120.4° |
| C4 | C3 | H4 | 120.0° | 120.3° |
| C5 | C6 | O3 | 123.1° | 120.4° |
| C5 | C6 | C7 | 121.3° | 119.8° |
| C6 | C5 | H5 | 120.1° | 118.9° |
| C18 | C17 | C16 | 117.0° | 109.7° |
| C18 | C17 | H23 | 107.5° | 109.4° |
| C18 | C17 | H22 | 107.6° | 109.4° |
| C17 | C18 | H25 | 109.7° | 109.3° |
| C17 | C18 | H24 | 109.7° | 109.6° |
| C3 | C2 | C7 | 119.8° | 119.9° |
| C3 | C2 | O1 | 123.7° | 120.0° |
| C2 | C3 | H4 | 119.9° | 119.2° |
| C17 | C16 | C15 | 118.0° | 109.6° |
| C17 | C16 | H21 | 107.3° | 109.7° |
| C17 | C16 | H20 | 107.3° | 109.5° |
| C16 | C17 | H23 | 107.6° | 109.4° |
| C16 | C17 | H22 | 107.5° | 109.4° |
| C16 | C15 | C14 | 106.2° | 109.5° |
| C16 | C15 | H19 | 110.3° | 109.6° |
| C16 | C15 | H18 | 110.3° | 109.5° |
| C15 | C16 | H21 | 107.3° | 109.3° |
| C15 | C16 | H20 | 107.3° | 109.4° |
| O3 | C9 | C10 | 107.6° | 108.9° |
| C9 | O3 | C6 | 120.3° | 118.1° |
| O3 | C9 | H9 | 109.9° | 109.7° |
| O3 | C9 | H10 | 110.0° | 109.6° |
| C9 | C10 | C11 | 107.2° | 109.5° |
| C9 | C10 | C12 | 111.4° | 109.8° |
| C10 | C9 | H9 | 109.9° | 109.4° |
| C10 | C9 | H10 | 110.0° | 109.5° |
| C9 | C10 | H11 | 111.3° | 108.9° |
| O3 | C6 | C7 | 115.6° | 119.8° |
| C6 | C7 | C2 | 118.9° | 119.8° |
| C6 | C7 | O2 | 118.5° | 120.1° |
| C7 | C2 | O1 | 116.4° | 120.1° |
| C2 | C7 | O2 | 122.6° | 120.1° |
| C2 | O1 | C1 | 117.7° | 117.0° |
| C15 | C14 | N2 | 122.8° | 126.9° |
| C15 | C14 | C13 | 130.4° | 126.7° |
| C14 | C15 | H19 | 110.3° | 109.5° |
| C14 | C15 | H18 | 110.3° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.4° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| C14 | N2 | N3 | 110.1° | 108.9° |
| N2 | C14 | C13 | 106.4° | 106.4° |
| N2 | N3 | N1 | 107.2° | 110.3° |
| C14 | C13 | N1 | 106.1° | 106.4° |
| C14 | C13 | H17 | 126.9° | 126.9° |
| C7 | O2 | C8 | 114.7° | 117.0° |
| C11 | C10 | C12 | 104.6° | 110.6° |
| C10 | C11 | H14 | 109.5° | 109.4° |
| C10 | C11 | H12 | 109.5° | 109.4° |
| C10 | C11 | H13 | 109.5° | 109.5° |
| C11 | C10 | H11 | 111.7° | 109.0° |
| C10 | C12 | N1 | 113.7° | 110.6° |
| C12 | C10 | H11 | 110.5° | 109.2° |
| C10 | C12 | H15 | 108.4° | 109.4° |
| C10 | C12 | H16 | 108.4° | 109.5° |
| N3 | N1 | C13 | 109.9° | 108.0° |
| N3 | N1 | C12 | 119.4° | 126.2° |
| C13 | N1 | C12 | 130.4° | 125.8° |
| N1 | C13 | H17 | 126.9° | 126.7° |
| N1 | C12 | H15 | 108.4° | 109.2° |
| N1 | C12 | H16 | 108.4° | 109.3° |
| O2 | C8 | H7 | 109.5° | 109.5° |
| O2 | C8 | H8 | 109.5° | 109.4° |
| O2 | C8 | H6 | 109.4° | 109.5° |
| H14 | C11 | H12 | 109.4° | 109.4° |
| H14 | C11 | H13 | 109.4° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H6 | 109.4° | 109.5° |
| H8 | C8 | H6 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.7° |
| H15 | C12 | H16 | 109.5° | 108.7° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.4° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H19 | C15 | H18 | 109.5° | 109.4° |
| H21 | C16 | H20 | 109.5° | 109.3° |
| H23 | C17 | H22 | 109.5° | 109.5° |
| H25 | C18 | H24 | 109.5° | 109.1° |
| H28 | C21 | H27 | 109.4° | 109.4° |
| H29 | C22 | H30 | 109.5° | 109.4° |
| H31 | C23 | H32 | 109.5° | 109.6° |
| H33 | C24 | H34 | 109.4° | 109.5° |
| H37 | C28 | H38 | 109.5° | 109.4° |
| H40 | C29 | H39 | 109.5° | 109.5° |
| H42 | C30 | H41 | 109.5° | 109.5° |
| H44 | C31 | H43 | 109.5° | 109.5° |
| H45 | C32 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | H28 | 120.2° | 120.0° |
| C22 | C21 | C20 | H27 | 120.2° | 119.9° |
| C21 | C22 | C23 | H29 | 119.9° | 120.3° |
| C21 | C22 | C23 | H30 | 119.9° | 120.3° |
| C21 | C22 | C23 | C24 | 63.5° | 41.6° |
| C22 | C21 | C20 | N4 | 49.1° | 28.1° |
| C22 | C21 | C20 | C19 | 75.4° | 147.9° |
| C22 | C21 | C20 | H26 | 168.9° | 91.5° |
| C22 | C21 | H28 | H27 | 119.4° | 120.2° |
| C21 | C22 | H29 | H30 | 120.4° | 119.7° |
| C21 | C22 | C23 | H31 | 176.3° | 78.7° |
| C21 | C22 | C23 | H32 | 56.7° | 161.5° |
| C20 | C21 | C22 | C23 | 59.4° | 67.8° |
| C21 | C20 | N4 | C19 | 123.1° | 119.5° |
| C21 | C20 | N4 | H26 | 119.3° | 119.5° |
| C21 | C20 | C19 | H26 | 115.7° | 120.1° |
| C21 | C20 | N4 | C25 | 147.6° | 143.3° |
| C21 | C20 | N4 | C24 | 43.5° | 35.5° |
| C21 | C20 | C19 | O5 | 44.4° | 71.1° |
| C21 | C20 | C19 | O4 | 128.4° | 108.3° |
| C20 | C21 | H28 | H27 | 119.4° | 120.2° |
| C20 | C21 | C22 | H29 | 60.4° | 172.0° |
| C20 | C21 | C22 | H30 | 179.3° | 52.3° |
| C32 | C31 | C30 | H44 | 120.6° | 120.0° |
| C32 | C31 | C30 | H43 | 120.5° | 119.9° |
| C31 | C32 | C27 | H45 | 120.3° | 120.0° |
| C31 | C32 | C27 | H46 | 120.3° | 120.0° |
| C32 | C31 | C30 | C29 | 55.9° | 60.0° |
| C31 | C32 | C27 | C26 | 179.1° | 180.0° |
| C31 | C32 | C27 | C28 | 53.3° | 60.0° |
| C31 | C32 | C27 | H36 | 63.0° | 60.0° |
| C32 | C31 | C30 | H42 | 64.3° | 180.0° |
| C32 | C31 | C30 | H41 | 176.0° | 59.9° |
| C32 | C31 | H44 | H43 | 118.3° | 120.0° |
| C31 | C32 | H45 | H46 | 119.0° | 120.0° |
| C30 | C31 | C32 | C27 | 57.9° | 60.0° |
| C31 | C30 | C29 | H42 | 120.2° | 120.0° |
| C31 | C30 | C29 | H41 | 120.1° | 120.1° |
| C31 | C30 | C29 | C28 | 51.3° | 60.0° |
| C31 | C30 | C29 | H40 | 171.7° | 60.0° |
| C31 | C30 | C29 | H39 | 69.0° | 180.0° |
| C31 | C30 | H42 | H41 | 119.6° | 120.1° |
| C30 | C31 | H44 | H43 | 118.3° | 120.0° |
| C30 | C31 | C32 | H45 | 178.3° | 60.0° |
| C30 | C31 | C32 | H46 | 62.4° | 180.0° |
| C32 | C27 | C26 | C25 | 64.1° | 59.1° |
| C32 | C27 | C26 | C28 | 123.6° | 120.0° |
| C32 | C27 | C26 | H36 | 117.9° | 120.0° |
| C32 | C27 | C28 | H36 | 116.0° | 120.0° |
| C32 | C27 | C28 | C29 | 51.3° | 60.0° |
| C32 | C27 | C26 | C4 | 174.3° | 63.0° |
| C32 | C27 | C26 | H35 | 53.7° | 178.9° |
| C32 | C27 | C28 | H37 | 172.1° | 180.0° |
| C32 | C27 | C28 | H38 | 69.5° | 60.0° |
| C27 | C32 | C31 | H44 | 178.5° | 60.0° |
| C27 | C32 | C31 | H43 | 62.6° | 180.0° |
| C27 | C32 | H45 | H46 | 119.0° | 120.0° |
| C22 | C23 | C24 | H31 | 120.2° | 120.4° |
| C22 | C23 | C24 | H32 | 120.1° | 120.1° |
| C22 | C23 | C24 | N4 | 53.4° | 18.1° |
| C23 | C22 | C21 | H28 | 60.8° | 52.1° |
| C23 | C22 | C21 | H27 | 179.6° | 172.2° |
| C23 | C22 | H29 | H30 | 120.4° | 119.3° |
| C22 | C23 | H31 | H32 | 119.5° | 119.6° |
| C22 | C23 | C24 | H33 | 66.4° | 101.0° |
| C22 | C23 | C24 | H34 | 173.2° | 139.6° |
| C23 | C24 | N4 | C20 | 44.8° | 61.7° |
| C23 | C24 | N4 | C25 | 146.6° | 117.0° |
| C23 | C24 | N4 | H33 | 119.8° | 119.0° |
| C23 | C24 | N4 | H34 | 119.8° | 120.4° |
| C24 | C23 | C22 | H29 | 56.4° | 161.9° |
| C24 | C23 | C22 | H30 | 176.6° | 78.7° |
| C24 | C23 | H31 | H32 | 119.5° | 119.0° |
| C23 | C24 | H33 | H34 | 120.7° | 119.1° |
| C30 | C29 | C28 | C27 | 51.7° | 60.0° |
| C30 | C29 | C28 | H40 | 120.4° | 120.0° |
| C30 | C29 | C28 | H39 | 120.4° | 120.0° |
| C30 | C29 | C28 | H37 | 172.5° | 180.0° |
| C30 | C29 | C28 | H38 | 69.1° | 60.0° |
| C30 | C29 | H40 | H39 | 118.8° | 120.0° |
| C29 | C30 | H42 | H41 | 119.6° | 119.9° |
| C29 | C30 | C31 | H44 | 176.4° | 60.0° |
| C29 | C30 | C31 | H43 | 64.7° | 180.0° |
| N4 | C20 | C19 | H26 | 118.2° | 120.6° |
| C20 | N4 | C25 | C24 | 168.8° | 178.7° |
| C20 | N4 | C25 | O6 | 0.5° | 7.3° |
| C20 | N4 | C25 | C26 | 173.9° | 174.5° |
| N4 | C20 | C19 | O5 | 170.5° | 48.3° |
| N4 | C20 | C19 | O4 | 2.3° | 132.4° |
| N4 | C20 | C21 | H28 | 71.1° | 91.9° |
| N4 | C20 | C21 | H27 | 169.3° | 148.0° |
| C20 | N4 | C24 | H33 | 75.0° | 57.3° |
| C20 | N4 | C24 | H34 | 164.6° | 177.9° |
| C19 | C20 | N4 | C25 | 89.3° | 97.2° |
| C19 | C20 | N4 | C24 | 79.6° | 84.1° |
| C20 | C19 | O5 | O4 | 172.0° | 179.3° |
| C20 | C19 | O4 | C18 | 179.2° | 176.1° |
| C19 | C20 | C21 | H28 | 164.5° | 27.9° |
| C19 | C20 | C21 | H27 | 44.8° | 92.2° |
| N4 | C25 | O6 | C26 | 174.3° | 178.2° |
| N4 | C25 | C26 | C27 | 155.4° | 93.7° |
| N4 | C25 | C26 | C4 | 81.1° | 146.0° |
| C25 | N4 | C20 | H26 | 28.3° | 23.8° |
| C25 | N4 | C24 | H33 | 93.6° | 124.0° |
| C25 | N4 | C24 | H34 | 26.8° | 3.4° |
| N4 | C25 | C26 | H35 | 37.5° | 25.5° |
| C24 | N4 | C25 | O6 | 169.3° | 171.4° |
| C24 | N4 | C25 | C26 | 5.1° | 6.8° |
| C24 | N4 | C20 | H26 | 162.8° | 155.0° |
| N4 | C24 | C23 | H31 | 173.5° | 138.6° |
| N4 | C24 | C23 | H32 | 66.8° | 102.0° |
| N4 | C24 | H33 | H34 | 120.7° | 121.4° |
| O6 | C25 | C26 | C27 | 30.1° | 84.4° |
| O6 | C25 | C26 | C4 | 93.4° | 35.8° |
| O6 | C25 | C26 | H35 | 148.1° | 156.3° |
| C25 | C26 | C27 | C4 | 121.7° | 122.1° |
| C25 | C26 | C27 | H35 | 117.7° | 119.8° |
| C25 | C26 | C27 | C28 | 172.4° | 60.9° |
| C25 | C26 | C4 | H35 | 118.2° | 121.3° |
| C25 | C26 | C4 | C5 | 127.1° | 8.9° |
| C25 | C26 | C4 | C3 | 53.0° | 170.5° |
| C25 | C26 | C27 | H36 | 53.8° | 179.1° |
| C26 | C27 | C28 | H36 | 118.4° | 120.0° |
| C26 | C27 | C28 | C29 | 176.9° | 180.0° |
| C27 | C26 | C4 | H35 | 120.5° | 118.5° |
| C27 | C26 | C4 | C5 | 111.6° | 129.1° |
| C27 | C26 | C4 | C3 | 68.3° | 50.3° |
| C26 | C27 | C28 | H37 | 62.2° | 60.0° |
| C26 | C27 | C28 | H38 | 56.1° | 60.0° |
| C26 | C27 | C32 | H45 | 60.6° | 60.0° |
| C26 | C27 | C32 | H46 | 58.7° | 60.0° |
| C27 | C28 | C29 | H37 | 120.8° | 120.1° |
| C27 | C28 | C29 | H38 | 120.8° | 120.0° |
| C28 | C27 | C26 | C4 | 50.7° | 176.9° |
| C28 | C27 | C26 | H35 | 69.9° | 58.8° |
| C27 | C28 | H37 | H38 | 117.4° | 120.0° |
| C27 | C28 | C29 | H40 | 172.0° | 60.0° |
| C27 | C28 | C29 | H39 | 68.7° | 179.9° |
| C28 | C27 | C32 | H45 | 173.6° | 60.0° |
| C28 | C27 | C32 | H46 | 67.1° | 180.0° |
| O5 | C19 | O4 | C18 | 8.1° | 3.2° |
| O5 | C19 | C20 | H26 | 71.2° | 168.9° |
| C19 | O4 | C18 | C17 | 99.4° | 118.1° |
| C19 | O4 | C18 | H25 | 140.8° | 2.1° |
| C19 | O4 | C18 | H24 | 20.5° | 121.8° |
| O4 | C19 | C20 | H26 | 115.9° | 11.8° |
| C29 | C28 | C27 | H36 | 64.7° | 60.0° |
| C29 | C28 | H37 | H38 | 117.4° | 120.0° |
| C28 | C29 | H40 | H39 | 118.8° | 120.1° |
| C28 | C29 | C30 | H42 | 68.8° | 180.0° |
| C28 | C29 | C30 | H41 | 171.5° | 60.0° |
| C26 | C4 | C5 | C3 | 179.9° | 179.4° |
| C26 | C4 | C5 | C6 | 179.8° | 177.2° |
| C26 | C4 | C3 | C2 | 177.8° | 177.9° |
| C26 | C4 | C5 | H5 | 0.2° | 4.0° |
| C26 | C4 | C3 | H4 | 2.2° | 3.1° |
| C4 | C26 | C27 | H36 | 67.9° | 57.0° |
| O4 | C18 | C17 | H25 | 119.9° | 120.4° |
| O4 | C18 | C17 | H24 | 119.9° | 120.1° |
| O4 | C18 | C17 | C16 | 63.3° | 114.6° |
| O4 | C18 | C17 | H23 | 175.6° | 5.5° |
| O4 | C18 | C17 | H22 | 57.7° | 125.4° |
| O4 | C18 | H25 | H24 | 120.3° | 119.8° |
| C4 | C5 | C6 | H5 | 180.0° | 178.8° |
| C5 | C4 | C3 | C2 | 2.0° | 1.5° |
| C4 | C5 | C6 | O3 | 179.7° | 178.4° |
| C4 | C5 | C6 | C7 | 0.7° | 1.6° |
| C5 | C4 | C3 | H4 | 177.9° | 177.5° |
| C5 | C4 | C26 | H35 | 8.9° | 112.4° |
| C3 | C4 | C5 | C6 | 0.1° | 2.1° |
| C4 | C3 | C2 | H4 | 180.0° | 179.1° |
| C4 | C3 | C2 | C7 | 3.2° | 0.3° |
| C4 | C3 | C2 | O1 | 179.6° | 179.6° |
| C3 | C4 | C5 | H5 | 179.9° | 176.6° |
| C3 | C4 | C26 | H35 | 171.2° | 68.2° |
| C5 | C6 | O3 | C9 | 12.6° | 72.8° |
| C5 | C6 | O3 | C7 | 179.7° | 179.9° |
| C5 | C6 | C7 | C2 | 0.5° | 0.3° |
| C5 | C6 | C7 | O2 | 178.9° | 179.9° |
| C18 | C17 | C16 | H23 | 121.1° | 120.1° |
| C18 | C17 | C16 | H22 | 121.1° | 120.0° |
| C18 | C17 | C16 | C15 | 177.4° | 140.6° |
| C18 | C17 | C16 | H21 | 61.3° | 20.6° |
| C18 | C17 | C16 | H20 | 56.2° | 99.3° |
| C18 | C17 | H23 | H22 | 116.6° | 119.8° |
| C17 | C18 | H25 | H24 | 120.3° | 119.8° |
| C3 | C2 | C7 | C6 | 2.4° | 0.3° |
| C3 | C2 | C7 | O1 | 177.4° | 180.0° |
| C3 | C2 | O1 | C1 | 1.7° | 0.0° |
| C3 | C2 | C7 | O2 | 177.0° | 179.5° |
| C17 | C16 | C15 | H21 | 121.2° | 120.2° |
| C17 | C16 | C15 | H20 | 121.2° | 120.2° |
| C17 | C16 | C15 | C14 | 179.6° | 71.8° |
| C17 | C16 | C15 | H19 | 60.8° | 48.3° |
| C17 | C16 | C15 | H18 | 60.2° | 168.2° |
| C17 | C16 | H21 | H20 | 116.1° | 120.1° |
| C16 | C17 | H23 | H22 | 116.6° | 119.9° |
| C16 | C17 | C18 | H25 | 56.5° | 125.0° |
| C16 | C17 | C18 | H24 | 176.8° | 5.4° |
| C16 | C15 | C14 | H19 | 119.5° | 120.1° |
| C16 | C15 | C14 | H18 | 119.5° | 120.0° |
| C16 | C15 | C14 | N2 | 143.6° | 110.8° |
| C16 | C15 | C14 | C13 | 45.0° | 69.5° |
| C16 | C15 | H19 | H18 | 121.5° | 120.0° |
| C15 | C16 | H21 | H20 | 116.1° | 119.7° |
| C15 | C16 | C17 | H23 | 56.4° | 99.3° |
| C15 | C16 | C17 | H22 | 61.5° | 20.7° |
| O3 | C9 | C10 | H9 | 119.7° | 119.9° |
| O3 | C9 | C10 | H10 | 119.7° | 119.8° |
| C9 | O3 | C6 | C7 | 167.8° | 107.2° |
| O3 | C9 | C10 | C11 | 74.8° | 70.9° |
| O3 | C9 | C10 | C12 | 39.0° | 167.6° |
| O3 | C9 | H9 | H10 | 120.9° | 120.5° |
| O3 | C9 | C10 | H11 | 162.8° | 48.2° |
| C10 | C9 | O3 | C6 | 170.7° | 171.3° |
| C9 | C10 | C11 | C12 | 118.4° | 121.0° |
| C9 | C10 | C11 | H11 | 122.1° | 119.0° |
| C9 | C10 | C12 | H11 | 124.2° | 119.3° |
| C9 | C10 | C12 | N1 | 53.6° | 97.3° |
| C9 | C10 | C11 | H14 | 180.0° | 60.1° |
| C9 | C10 | C11 | H12 | 60.0° | 180.0° |
| C9 | C10 | C11 | H13 | 60.0° | 60.0° |
| C10 | C9 | H9 | H10 | 120.9° | 120.1° |
| C9 | C10 | C12 | H15 | 174.2° | 23.0° |
| C9 | C10 | C12 | H16 | 67.0° | 142.1° |
| O3 | C6 | C7 | C2 | 179.2° | 179.6° |
| O3 | C6 | C7 | O2 | 1.4° | 0.2° |
| O3 | C6 | C5 | H5 | 0.3° | 2.9° |
| C6 | O3 | C9 | H9 | 51.0° | 51.6° |
| C6 | O3 | C9 | H10 | 69.6° | 69.0° |
| C6 | C7 | C2 | O2 | 179.4° | 179.8° |
| C6 | C7 | C2 | O1 | 179.9° | 179.8° |
| C6 | C7 | O2 | C8 | 65.2° | 90.0° |
| C7 | C6 | C5 | H5 | 179.3° | 177.2° |
| C7 | C2 | O1 | C1 | 179.0° | 179.9° |
| C2 | C7 | O2 | C8 | 115.4° | 90.3° |
| C7 | C2 | C3 | H4 | 176.8° | 178.8° |
| O1 | C2 | C7 | O2 | 0.5° | 0.5° |
| O1 | C2 | C3 | H4 | 0.5° | 1.3° |
| C2 | O1 | C1 | H2 | 180.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| C2 | O1 | C1 | H1 | 60.0° | 59.9° |
| C15 | C14 | N2 | C13 | 173.2° | 179.7° |
| C15 | C14 | N2 | N3 | 178.6° | 179.5° |
| C15 | C14 | C13 | N1 | 177.1° | 179.7° |
| C15 | C14 | C13 | H17 | 2.9° | 0.3° |
| C14 | C15 | H19 | H18 | 121.5° | 119.9° |
| C14 | C15 | C16 | H21 | 58.4° | 168.0° |
| C14 | C15 | C16 | H20 | 59.1° | 48.4° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H1 | 120.0° | 119.9° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| C14 | N2 | N3 | N1 | 4.0° | 0.3° |
| N2 | C14 | C13 | N1 | 4.6° | 0.0° |
| N2 | C14 | C13 | H17 | 175.4° | 179.9° |
| N2 | C14 | C15 | H19 | 96.9° | 129.1° |
| N2 | C14 | C15 | H18 | 24.1° | 9.2° |
| N3 | N2 | C14 | C13 | 5.4° | 0.2° |
| N2 | N3 | N1 | C13 | 1.0° | 0.3° |
| N2 | N3 | N1 | C12 | 175.8° | 179.4° |
| C14 | C13 | N1 | N3 | 2.3° | 0.1° |
| C14 | C13 | N1 | H17 | 180.0° | 180.0° |
| C14 | C13 | N1 | C12 | 171.8° | 179.3° |
| C13 | C14 | C15 | H19 | 74.5° | 50.6° |
| C13 | C14 | C15 | H18 | 164.5° | 170.5° |
| C7 | O2 | C8 | H7 | 180.0° | 60.1° |
| C7 | O2 | C8 | H8 | 60.0° | 180.0° |
| C7 | O2 | C8 | H6 | 60.0° | 60.0° |
| C11 | C10 | C12 | H11 | 120.4° | 119.9° |
| C11 | C10 | C12 | N1 | 169.1° | 23.6° |
| C10 | C11 | H14 | H12 | 120.0° | 119.9° |
| C10 | C11 | H14 | H13 | 120.0° | 120.0° |
| C10 | C11 | H12 | H13 | 120.0° | 120.1° |
| C11 | C10 | C9 | H9 | 165.5° | 169.2° |
| C11 | C10 | C9 | H10 | 44.9° | 49.0° |
| C11 | C10 | C12 | H15 | 70.3° | 143.9° |
| C11 | C10 | C12 | H16 | 48.4° | 97.0° |
| C10 | C12 | N1 | N3 | 74.9° | 96.4° |
| C10 | C12 | N1 | C13 | 98.7° | 84.6° |
| C10 | C12 | N1 | H15 | 120.6° | 120.5° |
| C10 | C12 | N1 | H16 | 120.6° | 120.7° |
| C12 | C10 | C11 | H14 | 61.6° | 61.0° |
| C12 | C10 | C11 | H12 | 178.4° | 58.9° |
| C12 | C10 | C11 | H13 | 58.3° | 179.0° |
| C12 | C10 | C9 | H9 | 80.7° | 47.7° |
| C12 | C10 | C9 | H10 | 158.8° | 72.6° |
| C10 | C12 | H15 | H16 | 118.1° | 119.6° |
| N3 | N1 | C13 | C12 | 174.0° | 179.1° |
| N3 | N1 | C12 | H15 | 45.7° | 143.1° |
| N3 | N1 | C12 | H16 | 164.5° | 24.3° |
| N3 | N1 | C13 | H17 | 177.7° | 179.9° |
| C13 | N1 | C12 | H15 | 140.7° | 35.9° |
| C13 | N1 | C12 | H16 | 22.0° | 154.7° |
| N1 | C12 | C10 | H11 | 70.6° | 143.4° |
| N1 | C12 | H15 | H16 | 118.1° | 119.2° |
| C12 | N1 | C13 | H17 | 8.2° | 0.7° |
| O2 | C8 | H7 | H8 | 120.0° | 119.9° |
| O2 | C8 | H7 | H6 | 120.0° | 120.0° |
| O2 | C8 | H8 | H6 | 120.0° | 120.0° |
| H14 | C11 | H12 | H13 | 120.0° | 120.0° |
| H14 | C11 | C10 | H11 | 57.9° | 179.0° |
| H12 | C11 | C10 | H11 | 62.1° | 61.1° |
| H13 | C11 | C10 | H11 | 177.9° | 59.0° |
| H7 | C8 | H8 | H6 | 120.0° | 120.1° |
| H9 | C9 | C10 | H11 | 43.1° | 71.8° |
| H10 | C9 | C10 | H11 | 77.5° | 168.0° |
| H11 | C10 | C12 | H15 | 50.0° | 96.2° |
| H11 | C10 | C12 | H16 | 168.8° | 22.8° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H19 | C15 | C16 | H21 | 177.9° | 72.0° |
| H19 | C15 | C16 | H20 | 60.4° | 168.4° |
| H18 | C15 | C16 | H21 | 61.1° | 48.0° |
| H18 | C15 | C16 | H20 | 178.6° | 71.6° |
| H21 | C16 | C17 | H23 | 177.6° | 140.7° |
| H21 | C16 | C17 | H22 | 59.7° | 99.3° |
| H20 | C16 | C17 | H23 | 64.9° | 20.8° |
| H20 | C16 | C17 | H22 | 177.3° | 140.7° |
| H23 | C17 | C18 | H25 | 64.6° | 114.9° |
| H23 | C17 | C18 | H24 | 55.7° | 125.5° |
| H22 | C17 | C18 | H25 | 177.6° | 5.0° |
| H22 | C17 | C18 | H24 | 62.2° | 114.6° |
| H26 | C20 | C21 | H28 | 48.8° | 148.4° |
| H26 | C20 | C21 | H27 | 70.8° | 28.4° |
| H28 | C21 | C22 | H29 | 179.4° | 68.0° |
| H28 | C21 | C22 | H30 | 59.1° | 172.3° |
| H27 | C21 | C22 | H29 | 59.8° | 52.1° |
| H27 | C21 | C22 | H30 | 60.5° | 67.7° |
| H29 | C22 | C23 | H31 | 63.8° | 41.7° |
| H29 | C22 | C23 | H32 | 176.6° | 78.2° |
| H30 | C22 | C23 | H31 | 56.5° | 161.1° |
| H30 | C22 | C23 | H32 | 63.2° | 41.2° |
| H31 | C23 | C24 | H33 | 53.8° | 19.4° |
| H31 | C23 | C24 | H34 | 66.7° | 100.0° |
| H32 | C23 | C24 | H33 | 173.4° | 138.9° |
| H32 | C23 | C24 | H34 | 53.0° | 19.5° |
| H35 | C26 | C27 | H36 | 171.6° | 61.1° |
| H36 | C27 | C28 | H37 | 56.1° | 60.0° |
| H36 | C27 | C28 | H38 | 174.5° | 180.0° |
| H36 | C27 | C32 | H45 | 57.3° | 180.0° |
| H36 | C27 | C32 | H46 | 176.6° | 60.0° |
| H37 | C28 | C29 | H40 | 67.1° | 60.1° |
| H37 | C28 | C29 | H39 | 52.1° | 60.0° |
| H38 | C28 | C29 | H40 | 51.2° | 180.0° |
| H38 | C28 | C29 | H39 | 170.5° | 59.9° |
| H40 | C29 | C30 | H42 | 51.6° | 60.0° |
| H40 | C29 | C30 | H41 | 68.2° | 180.0° |
| H39 | C29 | C30 | H42 | 170.8° | 60.0° |
| H39 | C29 | C30 | H41 | 51.1° | 60.0° |
| H42 | C30 | C31 | H44 | 56.3° | 60.0° |
| H42 | C30 | C31 | H43 | 175.2° | 60.1° |
| H41 | C30 | C31 | H44 | 63.5° | 179.9° |
| H41 | C30 | C31 | H43 | 55.4° | 60.0° |
| H44 | C31 | C32 | H45 | 61.2° | 180.0° |
| H44 | C31 | C32 | H46 | 58.2° | 60.0° |
| H43 | C31 | C32 | H45 | 57.7° | 60.0° |
| H43 | C31 | C32 | H46 | 177.1° | 60.0° |
