A1INY
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 | 1.52Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.49Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.58Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C20 | N4 | sing | 1.47Å | 1.48Å | |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| N4 | C24 | sing | 1.46Å | 1.45Å | |
| N4 | C25 | sing | 1.35Å | 1.35Å | |
| O6 | C25 | doub | 1.22Å | 1.23Å | |
| C25 | C26 | sing | 1.50Å | 1.49Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | C32 | sing | 1.53Å | 1.51Å | |
| O5 | C19 | doub | 1.21Å | 1.18Å | |
| C19 | O4 | sing | 1.35Å | 1.34Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C26 | C4 | sing | 1.51Å | 1.52Å | |
| O4 | C18 | sing | 1.45Å | 1.46Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C16 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.35Å | 1.37Å | Aromatic |
| C13 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C14 | N2 | sing | 1.34Å | 1.34Å | Aromatic |
| C6 | O3 | sing | 1.36Å | 1.36Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | N1 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| N1 | N3 | sing | 1.29Å | 1.34Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.49Å | |
| C9 | O3 | sing | 1.43Å | 1.45Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| C2 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C7 | O2 | sing | 1.36Å | 1.40Å | |
| N2 | N3 | doub | 1.29Å | 1.31Å | Aromatic |
| O2 | C8 | sing | 1.43Å | 1.41Å | |
| 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 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | 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 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | 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 | 1.10Å | 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 | 1.09Å | 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 | 111.4° | 110.8° |
| C21 | C22 | C23 | 107.0° | 109.5° |
| C22 | C21 | H28 | 109.0° | 109.2° |
| C22 | C21 | H27 | 109.0° | 109.3° |
| C21 | C22 | H29 | 110.1° | 109.8° |
| C21 | C22 | H30 | 110.1° | 109.3° |
| C21 | C20 | N4 | 116.3° | 110.1° |
| C21 | C20 | C19 | 105.2° | 110.5° |
| C21 | C20 | H26 | 109.4° | 108.8° |
| C20 | C21 | H28 | 109.0° | 109.2° |
| C20 | C21 | H27 | 109.0° | 109.2° |
| C28 | C29 | C30 | 115.5° | 109.5° |
| C29 | C28 | C27 | 112.3° | 109.5° |
| C29 | C28 | H38 | 108.8° | 109.4° |
| C29 | C28 | H37 | 108.8° | 109.5° |
| C28 | C29 | H39 | 107.9° | 109.5° |
| C28 | C29 | H40 | 108.0° | 109.5° |
| C29 | C30 | C31 | 108.3° | 109.5° |
| C30 | C29 | H39 | 108.0° | 109.5° |
| C30 | C29 | H40 | 107.9° | 109.4° |
| C29 | C30 | H41 | 109.8° | 109.5° |
| C29 | C30 | H42 | 109.8° | 109.4° |
| C28 | C27 | C26 | 112.1° | 109.5° |
| C28 | C27 | C32 | 108.7° | 109.5° |
| C28 | C27 | H36 | 107.5° | 109.5° |
| C27 | C28 | H38 | 108.7° | 109.5° |
| C27 | C28 | H37 | 108.8° | 109.5° |
| C22 | C23 | C24 | 110.8° | 108.8° |
| C23 | C22 | H29 | 110.1° | 109.7° |
| C23 | C22 | H30 | 110.1° | 109.3° |
| C22 | C23 | H31 | 109.1° | 109.7° |
| C22 | C23 | H32 | 109.1° | 109.6° |
| C23 | C24 | N4 | 110.9° | 109.7° |
| C24 | C23 | H31 | 109.1° | 109.5° |
| C24 | C23 | H32 | 109.2° | 109.5° |
| C23 | C24 | H33 | 109.1° | 109.2° |
| C23 | C24 | H34 | 109.1° | 108.9° |
| C30 | C31 | C32 | 110.7° | 109.5° |
| C31 | C30 | H41 | 109.8° | 109.5° |
| C31 | C30 | H42 | 109.8° | 109.5° |
| C30 | C31 | H43 | 109.2° | 109.5° |
| C30 | C31 | H44 | 109.1° | 109.5° |
| N4 | C20 | C19 | 106.4° | 110.3° |
| C20 | N4 | C24 | 118.1° | 119.5° |
| C20 | N4 | C25 | 115.9° | 119.2° |
| N4 | C20 | H26 | 109.9° | 108.7° |
| C20 | C19 | O5 | 122.9° | 120.7° |
| C20 | C19 | O4 | 111.4° | 119.3° |
| C19 | C20 | H26 | 109.4° | 108.4° |
| C24 | N4 | C25 | 124.7° | 121.3° |
| N4 | C24 | H33 | 109.1° | 109.4° |
| N4 | C24 | H34 | 109.1° | 110.4° |
| N4 | C25 | O6 | 122.0° | 119.1° |
| N4 | C25 | C26 | 118.5° | 121.4° |
| O6 | C25 | C26 | 119.3° | 119.5° |
| C25 | C26 | C27 | 112.0° | 108.7° |
| C25 | C26 | C4 | 108.0° | 111.0° |
| C25 | C26 | H35 | 108.6° | 110.0° |
| C26 | C27 | C32 | 112.7° | 109.5° |
| C27 | C26 | C4 | 111.9° | 109.2° |
| C27 | C26 | H35 | 108.1° | 109.2° |
| C26 | C27 | H36 | 107.7° | 109.5° |
| C27 | C32 | C31 | 114.9° | 109.5° |
| C32 | C27 | H36 | 108.0° | 109.4° |
| C27 | C32 | H46 | 108.1° | 109.5° |
| C27 | C32 | H45 | 108.1° | 109.5° |
| O5 | C19 | O4 | 125.5° | 120.0° |
| C19 | O4 | C18 | 115.7° | 117.9° |
| C32 | C31 | H43 | 109.2° | 109.5° |
| C32 | C31 | H44 | 109.2° | 109.5° |
| C31 | C32 | H46 | 108.1° | 109.5° |
| C31 | C32 | H45 | 108.1° | 109.4° |
| C26 | C4 | C5 | 117.8° | 120.9° |
| C26 | C4 | C3 | 120.4° | 119.3° |
| C4 | C26 | H35 | 108.2° | 108.8° |
| O4 | C18 | C16 | 108.5° | 109.3° |
| O4 | C18 | H25 | 109.7° | 109.4° |
| O4 | C18 | H24 | 109.7° | 109.6° |
| C5 | C4 | C3 | 120.6° | 119.8° |
| C4 | C5 | C6 | 118.2° | 120.5° |
| C4 | C5 | H5 | 120.9° | 120.3° |
| C4 | C3 | C2 | 119.6° | 120.3° |
| C4 | C3 | H4 | 120.2° | 120.7° |
| C5 | C6 | O3 | 128.8° | 120.6° |
| C5 | C6 | C7 | 121.9° | 119.7° |
| C6 | C5 | H5 | 120.9° | 119.2° |
| C18 | C16 | C15 | 113.0° | 109.6° |
| C18 | C16 | C17 | 108.3° | 109.4° |
| C18 | C16 | H20 | 109.1° | 109.4° |
| C16 | C18 | H25 | 109.7° | 109.6° |
| C16 | C18 | H24 | 109.7° | 109.5° |
| C3 | C2 | C7 | 119.5° | 120.0° |
| C3 | C2 | O1 | 123.5° | 120.0° |
| C2 | C3 | H4 | 120.2° | 119.1° |
| C14 | C13 | N1 | 105.7° | 106.0° |
| C13 | C14 | C15 | 131.3° | 126.4° |
| C13 | C14 | N2 | 107.3° | 106.5° |
| C14 | C13 | H17 | 127.1° | 127.1° |
| C13 | N1 | C12 | 129.1° | 125.4° |
| C13 | N1 | N3 | 109.8° | 108.4° |
| N1 | C13 | H17 | 127.1° | 126.9° |
| C16 | C15 | C14 | 112.9° | 109.6° |
| C15 | C16 | C17 | 108.3° | 109.5° |
| C16 | C15 | H19 | 108.6° | 109.3° |
| C16 | C15 | H18 | 108.6° | 109.5° |
| C15 | C16 | H20 | 109.1° | 109.5° |
| C15 | C14 | N2 | 121.4° | 127.1° |
| C14 | C15 | H19 | 108.6° | 109.4° |
| C14 | C15 | H18 | 108.6° | 109.5° |
| C17 | C16 | H20 | 109.0° | 109.5° |
| C16 | C17 | H23 | 109.5° | 109.5° |
| C16 | C17 | H21 | 109.5° | 109.5° |
| C16 | C17 | H22 | 109.5° | 109.5° |
| C14 | N2 | N3 | 110.2° | 108.8° |
| O3 | C6 | C7 | 108.7° | 119.8° |
| C6 | O3 | C9 | 119.6° | 118.9° |
| C6 | C7 | C2 | 118.8° | 119.8° |
| C6 | C7 | O2 | 117.1° | 120.4° |
| N1 | C12 | C11 | 112.3° | 109.8° |
| C12 | N1 | N3 | 121.1° | 126.2° |
| N1 | C12 | H16 | 108.8° | 108.8° |
| N1 | C12 | H15 | 108.8° | 109.1° |
| C12 | C11 | C9 | 110.2° | 110.2° |
| C12 | C11 | H14 | 109.3° | 109.4° |
| C12 | C11 | H13 | 109.3° | 109.5° |
| C11 | C12 | H16 | 108.7° | 110.3° |
| C11 | C12 | H15 | 108.7° | 109.4° |
| N1 | N3 | N2 | 107.0° | 110.2° |
| C10 | C9 | O3 | 103.5° | 109.5° |
| C10 | C9 | C11 | 113.6° | 109.4° |
| C10 | C9 | H9 | 109.5° | 109.5° |
| C9 | C10 | H11 | 109.5° | 109.5° |
| C9 | C10 | H12 | 109.5° | 109.5° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| O3 | C9 | C11 | 111.0° | 109.4° |
| O3 | C9 | H9 | 110.1° | 109.5° |
| C9 | C11 | H14 | 109.3° | 109.3° |
| C9 | C11 | H13 | 109.3° | 109.3° |
| C11 | C9 | H9 | 109.1° | 109.6° |
| C7 | C2 | O1 | 116.8° | 120.0° |
| C2 | C7 | O2 | 124.1° | 119.8° |
| C2 | O1 | C1 | 114.7° | 117.0° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| C7 | O2 | C8 | 108.1° | 117.0° |
| O2 | C8 | H7 | 109.5° | 109.5° |
| O2 | C8 | H8 | 109.4° | 109.5° |
| O2 | C8 | H6 | 109.5° | 109.4° |
| H14 | C11 | H13 | 109.5° | 109.1° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H6 | 109.5° | 109.5° |
| H8 | C8 | H6 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.4° | 109.4° |
| H11 | C10 | H10 | 109.5° | 109.5° |
| H12 | C10 | H10 | 109.5° | 109.4° |
| H16 | C12 | H15 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H1 | 109.4° | 109.4° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H19 | C15 | H18 | 109.5° | 109.5° |
| H23 | C17 | H21 | 109.5° | 109.4° |
| H23 | C17 | H22 | 109.5° | 109.4° |
| H21 | C17 | H22 | 109.4° | 109.5° |
| H25 | C18 | H24 | 109.5° | 109.5° |
| H28 | C21 | H27 | 109.5° | 109.0° |
| H29 | C22 | H30 | 109.5° | 109.2° |
| H31 | C23 | H32 | 109.5° | 109.7° |
| H33 | C24 | H34 | 109.5° | 109.2° |
| H38 | C28 | H37 | 109.5° | 109.5° |
| H39 | C29 | H40 | 109.5° | 109.5° |
| H41 | C30 | H42 | 109.5° | 109.5° |
| H43 | C31 | H44 | 109.5° | 109.4° |
| 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 | 120.3° | 120.4° |
| C22 | C21 | C20 | H27 | 120.3° | 120.5° |
| C21 | C22 | C23 | H29 | 119.6° | 120.6° |
| C21 | C22 | C23 | H30 | 119.6° | 119.7° |
| C21 | C22 | C23 | C24 | 64.0° | 61.4° |
| C22 | C21 | C20 | N4 | 46.0° | 50.8° |
| C22 | C21 | C20 | C19 | 71.4° | 71.3° |
| C22 | C21 | C20 | H26 | 171.2° | 169.8° |
| C22 | C21 | H28 | H27 | 119.1° | 119.4° |
| C21 | C22 | H29 | H30 | 121.2° | 119.9° |
| C21 | C22 | C23 | H31 | 175.8° | 178.8° |
| C21 | C22 | C23 | H32 | 56.2° | 58.3° |
| C20 | C21 | C22 | C23 | 59.0° | 59.8° |
| C21 | C20 | N4 | C19 | 116.8° | 122.3° |
| C21 | C20 | N4 | H26 | 124.9° | 119.1° |
| C21 | C20 | C19 | H26 | 117.4° | 119.1° |
| C21 | C20 | N4 | C24 | 36.9° | 48.6° |
| C21 | C20 | N4 | C25 | 155.7° | 130.6° |
| C21 | C20 | C19 | O5 | 58.1° | 67.3° |
| C21 | C20 | C19 | O4 | 117.3° | 112.8° |
| C20 | C21 | H28 | H27 | 119.1° | 119.3° |
| C20 | C21 | C22 | H29 | 60.6° | 60.7° |
| C20 | C21 | C22 | H30 | 178.6° | 179.5° |
| C28 | C29 | C30 | H39 | 120.9° | 120.0° |
| C28 | C29 | C30 | H40 | 120.9° | 120.0° |
| C29 | C28 | C27 | H38 | 120.4° | 119.9° |
| C29 | C28 | C27 | H37 | 120.4° | 120.0° |
| C28 | C29 | C30 | C31 | 55.0° | 60.0° |
| C29 | C28 | C27 | C26 | 172.7° | 180.0° |
| C29 | C28 | C27 | C32 | 47.5° | 60.0° |
| C29 | C28 | C27 | H36 | 69.2° | 60.0° |
| C29 | C28 | H38 | H37 | 118.7° | 120.0° |
| C28 | C29 | H39 | H40 | 117.2° | 120.0° |
| C28 | C29 | C30 | H41 | 64.8° | 60.0° |
| C28 | C29 | C30 | H42 | 174.8° | 180.0° |
| C30 | C29 | C28 | C27 | 52.0° | 60.0° |
| C29 | C30 | C31 | H41 | 119.8° | 120.0° |
| C29 | C30 | C31 | H42 | 119.8° | 120.0° |
| C29 | C30 | C31 | C32 | 56.4° | 60.0° |
| C30 | C29 | C28 | H38 | 172.4° | 60.0° |
| C30 | C29 | C28 | H37 | 68.4° | 180.0° |
| C30 | C29 | H39 | H40 | 117.2° | 120.0° |
| C29 | C30 | H41 | H42 | 120.6° | 119.9° |
| C29 | C30 | C31 | H43 | 176.6° | 180.0° |
| C29 | C30 | C31 | H44 | 63.8° | 60.0° |
| C28 | C27 | C26 | C25 | 61.3° | 58.9° |
| C28 | C27 | C26 | C32 | 123.0° | 120.0° |
| C28 | C27 | C26 | H36 | 118.0° | 120.0° |
| C28 | C27 | C32 | H36 | 116.4° | 120.0° |
| C28 | C27 | C32 | C31 | 53.1° | 60.0° |
| C28 | C27 | C26 | C4 | 177.3° | 62.3° |
| C28 | C27 | C26 | H35 | 58.2° | 178.8° |
| C27 | C28 | H38 | H37 | 118.7° | 120.1° |
| C27 | C28 | C29 | H39 | 172.9° | 180.0° |
| C27 | C28 | C29 | H40 | 68.9° | 60.0° |
| C28 | C27 | C32 | H46 | 173.9° | 180.0° |
| C28 | C27 | C32 | H45 | 67.7° | 60.0° |
| C22 | C23 | C24 | H31 | 120.2° | 119.9° |
| C22 | C23 | C24 | H32 | 120.2° | 119.8° |
| C22 | C23 | C24 | N4 | 54.2° | 54.9° |
| C23 | C22 | C21 | H28 | 61.3° | 179.8° |
| C23 | C22 | C21 | H27 | 179.3° | 60.6° |
| C23 | C22 | H29 | H30 | 121.1° | 119.7° |
| C22 | C23 | H31 | H32 | 119.4° | 120.4° |
| C22 | C23 | C24 | H33 | 66.0° | 65.0° |
| C22 | C23 | C24 | H34 | 174.4° | 175.8° |
| C23 | C24 | N4 | C20 | 39.7° | 51.0° |
| C23 | C24 | N4 | H33 | 120.2° | 119.8° |
| C23 | C24 | N4 | H34 | 120.2° | 120.0° |
| C23 | C24 | N4 | C25 | 154.2° | 128.2° |
| C24 | C23 | C22 | H29 | 55.6° | 59.2° |
| C24 | C23 | C22 | H30 | 176.4° | 178.9° |
| C24 | C23 | H31 | H32 | 119.4° | 120.2° |
| C23 | C24 | H33 | H34 | 119.3° | 118.9° |
| C30 | C31 | C32 | C27 | 59.3° | 60.0° |
| C30 | C31 | C32 | H43 | 120.2° | 120.0° |
| C30 | C31 | C32 | H44 | 120.2° | 120.0° |
| C31 | C30 | C29 | H39 | 175.9° | 180.0° |
| C31 | C30 | C29 | H40 | 65.9° | 60.0° |
| C31 | C30 | H41 | H42 | 120.5° | 120.0° |
| C30 | C31 | H43 | H44 | 119.4° | 120.0° |
| C30 | C31 | C32 | H46 | 179.9° | 180.0° |
| C30 | C31 | C32 | H45 | 61.6° | 60.0° |
| N4 | C20 | C19 | H26 | 118.7° | 118.9° |
| C20 | N4 | C24 | C25 | 166.1° | 179.2° |
| C20 | N4 | C25 | O6 | 1.9° | 8.0° |
| C20 | N4 | C25 | C26 | 178.7° | 173.4° |
| N4 | C20 | C19 | O5 | 178.0° | 54.7° |
| N4 | C20 | C19 | O4 | 6.6° | 125.2° |
| N4 | C20 | C21 | H28 | 74.3° | 171.2° |
| N4 | C20 | C21 | H27 | 166.3° | 69.6° |
| C20 | N4 | C24 | H33 | 80.5° | 68.7° |
| C20 | N4 | C24 | H34 | 159.9° | 171.1° |
| C19 | C20 | N4 | C24 | 79.8° | 73.6° |
| C19 | C20 | N4 | C25 | 87.5° | 107.1° |
| C20 | C19 | O5 | O4 | 174.8° | 179.9° |
| C20 | C19 | O4 | C18 | 177.2° | 179.0° |
| C19 | C20 | C21 | H28 | 168.3° | 49.1° |
| C19 | C20 | C21 | H27 | 48.9° | 168.2° |
| C24 | N4 | C25 | O6 | 164.5° | 171.3° |
| C24 | N4 | C25 | C26 | 12.3° | 7.3° |
| C24 | N4 | C20 | H26 | 161.8° | 167.7° |
| N4 | C24 | C23 | H31 | 174.3° | 174.8° |
| N4 | C24 | C23 | H32 | 66.0° | 64.9° |
| N4 | C24 | H33 | H34 | 119.3° | 121.0° |
| N4 | C25 | O6 | C26 | 176.8° | 178.6° |
| N4 | C25 | C26 | C27 | 147.6° | 99.1° |
| N4 | C25 | C26 | C4 | 88.8° | 140.9° |
| C25 | N4 | C20 | H26 | 30.9° | 11.6° |
| C25 | N4 | C24 | H33 | 85.6° | 112.0° |
| C25 | N4 | C24 | H34 | 33.9° | 8.2° |
| N4 | C25 | C26 | H35 | 28.4° | 20.4° |
| O6 | C25 | C26 | C27 | 35.4° | 79.5° |
| O6 | C25 | C26 | C4 | 88.2° | 40.5° |
| O6 | C25 | C26 | H35 | 154.7° | 161.0° |
| C25 | C26 | C27 | C4 | 121.4° | 121.1° |
| C25 | C26 | C27 | H35 | 119.5° | 120.0° |
| C25 | C26 | C27 | C32 | 175.7° | 61.2° |
| C25 | C26 | C4 | H35 | 117.4° | 121.1° |
| C25 | C26 | C4 | C5 | 128.0° | 14.7° |
| C25 | C26 | C4 | C3 | 64.3° | 164.5° |
| C25 | C26 | C27 | H36 | 56.7° | 178.8° |
| C26 | C27 | C32 | H36 | 118.8° | 120.0° |
| C26 | C27 | C32 | C31 | 177.9° | 180.0° |
| C27 | C26 | C4 | H35 | 119.0° | 119.1° |
| C27 | C26 | C4 | C5 | 108.3° | 134.5° |
| C27 | C26 | C4 | C3 | 59.4° | 44.7° |
| C26 | C27 | C28 | H38 | 66.8° | 60.1° |
| C26 | C27 | C28 | H37 | 52.3° | 60.0° |
| C26 | C27 | C32 | H46 | 61.2° | 60.0° |
| C26 | C27 | C32 | H45 | 57.1° | 60.0° |
| C27 | C32 | C31 | H46 | 120.8° | 120.0° |
| C27 | C32 | C31 | H45 | 120.8° | 120.0° |
| C32 | C27 | C26 | C4 | 54.3° | 177.7° |
| C32 | C27 | C26 | H35 | 64.8° | 58.8° |
| C32 | C27 | C28 | H38 | 168.0° | 59.9° |
| C32 | C27 | C28 | H37 | 72.9° | 180.0° |
| C27 | C32 | C31 | H43 | 179.4° | 180.0° |
| C27 | C32 | C31 | H44 | 60.9° | 60.0° |
| C27 | C32 | H46 | H45 | 117.5° | 120.0° |
| O5 | C19 | O4 | C18 | 1.9° | 0.8° |
| O5 | C19 | C20 | H26 | 59.3° | 173.6° |
| C19 | O4 | C18 | C16 | 159.5° | 169.4° |
| C19 | O4 | C18 | H25 | 80.6° | 70.7° |
| C19 | O4 | C18 | H24 | 39.7° | 49.3° |
| O4 | C19 | C20 | H26 | 125.3° | 6.3° |
| C31 | C32 | C27 | H36 | 63.3° | 60.0° |
| C32 | C31 | C30 | H41 | 63.4° | 60.0° |
| C32 | C31 | C30 | H42 | 176.2° | 180.0° |
| C32 | C31 | H43 | H44 | 119.5° | 120.0° |
| C31 | C32 | H46 | H45 | 117.6° | 120.0° |
| C26 | C4 | C5 | C3 | 167.7° | 179.2° |
| C26 | C4 | C5 | C6 | 179.3° | 176.9° |
| C26 | C4 | C3 | C2 | 179.3° | 177.2° |
| C26 | C4 | C5 | H5 | 0.6° | 4.1° |
| C26 | C4 | C3 | H4 | 0.7° | 3.9° |
| C4 | C26 | C27 | H36 | 64.7° | 57.7° |
| O4 | C18 | C16 | H25 | 119.8° | 119.8° |
| O4 | C18 | C16 | H24 | 119.9° | 120.1° |
| O4 | C18 | C16 | C15 | 73.0° | 154.8° |
| O4 | C18 | C16 | C17 | 166.9° | 85.1° |
| O4 | C18 | C16 | H20 | 48.5° | 34.8° |
| O4 | C18 | H25 | H24 | 120.4° | 120.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.0° |
| C5 | C4 | C3 | C2 | 11.9° | 2.0° |
| C4 | C5 | C6 | O3 | 179.8° | 178.9° |
| C4 | C5 | C6 | C7 | 9.1° | 0.9° |
| C5 | C4 | C3 | H4 | 168.1° | 176.9° |
| C5 | C4 | C26 | H35 | 10.6° | 106.4° |
| C3 | C4 | C5 | C6 | 11.7° | 2.3° |
| C4 | C3 | C2 | H4 | 180.0° | 178.9° |
| C4 | C3 | C2 | C7 | 9.3° | 0.4° |
| C4 | C3 | C2 | O1 | 177.3° | 179.6° |
| C3 | C4 | C5 | H5 | 168.3° | 176.7° |
| C3 | C4 | C26 | H35 | 178.3° | 74.4° |
| C5 | C6 | O3 | C7 | 171.7° | 179.8° |
| C5 | C6 | O3 | C9 | 4.6° | 83.2° |
| C5 | C6 | C7 | C2 | 6.7° | 0.8° |
| C5 | C6 | C7 | O2 | 173.7° | 179.1° |
| C18 | C16 | C15 | C17 | 120.0° | 120.0° |
| C18 | C16 | C15 | H20 | 121.5° | 120.0° |
| C18 | C16 | C15 | C14 | 151.5° | 95.9° |
| C18 | C16 | C17 | H20 | 118.5° | 119.8° |
| C18 | C16 | C15 | H19 | 87.9° | 24.1° |
| C18 | C16 | C15 | H18 | 31.0° | 144.0° |
| C18 | C16 | C17 | H23 | 180.0° | 179.9° |
| C18 | C16 | C17 | H21 | 60.0° | 59.9° |
| C18 | C16 | C17 | H22 | 60.0° | 60.1° |
| C16 | C18 | H25 | H24 | 120.4° | 120.2° |
| C3 | C2 | C7 | C6 | 6.6° | 1.0° |
| C3 | C2 | C7 | O1 | 173.8° | 180.0° |
| C3 | C2 | O1 | C1 | 20.5° | 0.0° |
| C3 | C2 | C7 | O2 | 173.8° | 178.9° |
| C14 | C13 | N1 | H17 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 92.6° | 59.1° |
| C13 | C14 | C15 | N2 | 179.0° | 179.8° |
| C14 | C13 | N1 | C12 | 177.8° | 179.2° |
| C14 | C13 | N1 | N3 | 0.0° | 0.6° |
| C13 | C14 | N2 | N3 | 0.5° | 0.2° |
| C13 | C14 | C15 | H19 | 146.9° | 60.8° |
| C13 | C14 | C15 | H18 | 27.9° | 179.2° |
| N1 | C13 | C14 | C15 | 179.4° | 179.4° |
| N1 | C13 | C14 | N2 | 0.3° | 0.5° |
| C13 | N1 | C12 | N3 | 177.7° | 179.8° |
| C13 | N1 | C12 | C11 | 101.7° | 69.4° |
| C13 | N1 | N3 | N2 | 0.4° | 0.4° |
| C13 | N1 | C12 | H16 | 137.9° | 51.3° |
| C13 | N1 | C12 | H15 | 18.7° | 170.7° |
| C16 | C15 | C14 | H19 | 120.5° | 119.9° |
| C16 | C15 | C14 | H18 | 120.5° | 120.1° |
| C15 | C16 | C17 | H20 | 118.6° | 120.1° |
| C16 | C15 | C14 | N2 | 86.4° | 121.1° |
| C16 | C15 | H19 | H18 | 118.4° | 119.9° |
| C15 | C16 | C17 | H23 | 57.1° | 60.0° |
| C15 | C16 | C17 | H21 | 177.1° | 180.0° |
| C15 | C16 | C17 | H22 | 62.9° | 60.0° |
| C15 | C16 | C18 | H25 | 167.1° | 35.0° |
| C15 | C16 | C18 | H24 | 46.8° | 85.1° |
| C14 | C15 | C16 | C17 | 88.5° | 144.2° |
| C15 | C14 | N2 | N3 | 179.7° | 179.6° |
| C15 | C14 | C13 | H17 | 0.6° | 0.7° |
| C14 | C15 | H19 | H18 | 118.4° | 120.0° |
| C14 | C15 | C16 | H20 | 30.1° | 24.1° |
| C17 | C16 | C15 | H19 | 32.1° | 95.9° |
| C17 | C16 | C15 | H18 | 151.1° | 24.0° |
| C16 | C17 | H23 | H21 | 120.0° | 120.0° |
| C16 | C17 | H23 | H22 | 120.0° | 120.0° |
| C16 | C17 | H21 | H22 | 120.0° | 120.1° |
| C17 | C16 | C18 | H25 | 47.1° | 155.1° |
| C17 | C16 | C18 | H24 | 73.2° | 34.9° |
| C14 | N2 | N3 | N1 | 0.5° | 0.1° |
| N2 | C14 | C13 | H17 | 179.7° | 179.4° |
| N2 | C14 | C15 | H19 | 34.2° | 119.0° |
| N2 | C14 | C15 | H18 | 153.1° | 1.0° |
| C6 | O3 | C9 | C10 | 90.0° | 84.6° |
| C6 | O3 | C9 | C11 | 147.8° | 155.6° |
| O3 | C6 | C7 | C2 | 179.1° | 179.4° |
| O3 | C6 | C7 | O2 | 1.3° | 0.7° |
| O3 | C6 | C5 | H5 | 0.1° | 2.1° |
| C6 | O3 | C9 | H9 | 27.0° | 35.5° |
| C7 | C6 | O3 | C9 | 167.1° | 97.0° |
| C6 | C7 | C2 | O2 | 179.6° | 179.9° |
| C6 | C7 | C2 | O1 | 179.5° | 179.0° |
| C6 | C7 | O2 | C8 | 93.3° | 93.8° |
| C7 | C6 | C5 | H5 | 170.9° | 178.1° |
| N1 | C12 | C11 | H16 | 120.4° | 119.8° |
| N1 | C12 | C11 | H15 | 120.4° | 119.7° |
| N1 | C12 | C11 | C9 | 67.8° | 126.9° |
| C12 | N1 | N3 | N2 | 177.7° | 179.4° |
| N1 | C12 | C11 | H14 | 52.3° | 112.9° |
| N1 | C12 | C11 | H13 | 172.1° | 6.7° |
| N1 | C12 | H16 | H15 | 118.7° | 119.2° |
| C12 | N1 | C13 | H17 | 2.1° | 0.9° |
| C11 | C12 | N1 | N3 | 76.0° | 110.8° |
| C12 | C11 | C9 | C10 | 147.5° | 63.0° |
| C12 | C11 | C9 | O3 | 96.4° | 177.1° |
| C12 | C11 | C9 | H14 | 120.1° | 120.3° |
| C12 | C11 | C9 | H13 | 120.1° | 120.4° |
| C12 | C11 | H14 | H13 | 119.7° | 119.8° |
| C12 | C11 | C9 | H9 | 25.1° | 57.1° |
| C11 | C12 | H16 | H15 | 118.7° | 120.4° |
| N3 | N1 | C12 | H16 | 44.4° | 128.5° |
| N3 | N1 | C12 | H15 | 163.6° | 9.1° |
| N3 | N1 | C13 | H17 | 180.0° | 179.3° |
| C10 | C9 | O3 | C11 | 122.2° | 119.9° |
| C10 | C9 | O3 | H9 | 116.9° | 120.1° |
| C10 | C9 | C11 | H9 | 122.5° | 120.1° |
| C10 | C9 | C11 | H14 | 92.3° | 57.3° |
| C10 | C9 | C11 | H13 | 27.4° | 176.6° |
| C9 | C10 | H11 | H12 | 120.0° | 120.0° |
| C9 | C10 | H11 | H10 | 120.0° | 120.1° |
| C9 | C10 | H12 | H10 | 120.0° | 120.0° |
| O3 | C9 | C11 | H9 | 121.4° | 120.0° |
| O3 | C9 | C11 | H14 | 23.7° | 62.6° |
| O3 | C9 | C11 | H13 | 143.5° | 56.7° |
| O3 | C9 | C10 | H11 | 180.0° | 64.2° |
| O3 | C9 | C10 | H12 | 60.0° | 175.8° |
| O3 | C9 | C10 | H10 | 60.0° | 55.9° |
| C9 | C11 | H14 | H13 | 119.6° | 119.4° |
| C11 | C9 | C10 | H11 | 59.6° | 55.7° |
| C11 | C9 | C10 | H12 | 179.6° | 64.3° |
| C11 | C9 | C10 | H10 | 60.4° | 175.7° |
| C9 | C11 | C12 | H16 | 171.8° | 7.1° |
| C9 | C11 | C12 | H15 | 52.6° | 113.5° |
| C7 | C2 | O1 | C1 | 166.0° | 180.0° |
| C2 | C7 | O2 | C8 | 86.3° | 86.1° |
| C7 | C2 | C3 | H4 | 170.7° | 178.6° |
| O1 | C2 | C7 | O2 | 0.1° | 1.1° |
| O1 | C2 | C3 | H4 | 2.7° | 1.4° |
| C2 | O1 | C1 | H2 | 180.0° | 60.1° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| C2 | O1 | C1 | H1 | 60.0° | 180.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.1° |
| O1 | C1 | H2 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| C7 | O2 | C8 | H7 | 180.0° | 175.2° |
| C7 | O2 | C8 | H8 | 60.0° | 55.1° |
| C7 | O2 | C8 | H6 | 60.0° | 64.9° |
| O2 | C8 | H7 | H8 | 120.0° | 120.0° |
| O2 | C8 | H7 | H6 | 120.0° | 119.9° |
| O2 | C8 | H8 | H6 | 120.0° | 120.0° |
| H14 | C11 | C9 | H9 | 145.2° | 177.4° |
| H14 | C11 | C12 | H16 | 68.1° | 127.3° |
| H14 | C11 | C12 | H15 | 172.7° | 6.7° |
| H13 | C11 | C9 | H9 | 95.0° | 63.3° |
| H13 | C11 | C12 | H16 | 51.7° | 113.2° |
| H13 | C11 | C12 | H15 | 67.5° | 126.3° |
| H7 | C8 | H8 | H6 | 120.0° | 120.0° |
| H9 | C9 | C10 | H11 | 62.6° | 175.7° |
| H9 | C9 | C10 | H12 | 57.3° | 55.8° |
| H9 | C9 | C10 | H10 | 177.3° | 64.2° |
| H11 | C10 | H12 | H10 | 120.0° | 120.0° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H19 | C15 | C16 | H20 | 150.6° | 144.0° |
| H18 | C15 | C16 | H20 | 90.4° | 96.1° |
| H20 | C16 | C17 | H23 | 61.5° | 60.1° |
| H20 | C16 | C17 | H21 | 58.5° | 59.9° |
| H20 | C16 | C17 | H22 | 178.5° | 179.9° |
| H20 | C16 | C18 | H25 | 71.4° | 85.0° |
| H20 | C16 | C18 | H24 | 168.3° | 154.8° |
| H23 | C17 | H21 | H22 | 120.0° | 119.9° |
| H26 | C20 | C21 | H28 | 50.9° | 69.8° |
| H26 | C20 | C21 | H27 | 68.5° | 49.4° |
| H28 | C21 | C22 | H29 | 179.1° | 59.7° |
| H28 | C21 | C22 | H30 | 58.3° | 60.1° |
| H27 | C21 | C22 | H29 | 59.7° | 178.9° |
| H27 | C21 | C22 | H30 | 61.1° | 59.1° |
| H29 | C22 | C23 | H31 | 64.6° | 60.6° |
| H29 | C22 | C23 | H32 | 175.8° | 178.9° |
| H30 | C22 | C23 | H31 | 56.2° | 59.1° |
| H30 | C22 | C23 | H32 | 63.4° | 61.4° |
| H31 | C23 | C24 | H33 | 54.1° | 54.9° |
| H31 | C23 | C24 | H34 | 65.4° | 64.3° |
| H32 | C23 | C24 | H33 | 173.8° | 175.2° |
| H32 | C23 | C24 | H34 | 54.2° | 56.0° |
| H35 | C26 | C27 | H36 | 176.3° | 61.2° |
| H36 | C27 | C28 | H38 | 51.3° | 179.9° |
| H36 | C27 | C28 | H37 | 170.4° | 60.0° |
| H36 | C27 | C32 | H46 | 57.5° | 60.0° |
| H36 | C27 | C32 | H45 | 175.9° | 180.0° |
| H38 | C28 | C29 | H39 | 66.7° | 60.0° |
| H38 | C28 | C29 | H40 | 51.5° | 180.0° |
| H37 | C28 | C29 | H39 | 52.5° | 60.0° |
| H37 | C28 | C29 | H40 | 170.7° | 60.0° |
| H39 | C29 | C30 | H41 | 56.1° | 60.0° |
| H39 | C29 | C30 | H42 | 64.3° | 60.0° |
| H40 | C29 | C30 | H41 | 174.3° | 180.0° |
| H40 | C29 | C30 | H42 | 53.9° | 60.0° |
| H41 | C30 | C31 | H43 | 56.8° | 60.0° |
| H41 | C30 | C31 | H44 | 176.4° | 180.0° |
| H42 | C30 | C31 | H43 | 63.6° | 60.0° |
| H42 | C30 | C31 | H44 | 56.1° | 59.9° |
| H43 | C31 | C32 | H46 | 59.7° | 60.0° |
| H43 | C31 | C32 | H45 | 58.6° | 60.0° |
| H44 | C31 | C32 | H46 | 59.9° | 60.0° |
| H44 | C31 | C32 | H45 | 178.3° | 180.0° |
