A1H8Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | sing | 1.52Å | 1.57Å | |
| C1 | C5 | sing | 1.52Å | 1.53Å | |
| C2 | C6 | sing | 1.52Å | 1.47Å | |
| C2 | C15 | sing | 1.50Å | 1.51Å | |
| C3 | C4 | sing | 1.50Å | 1.64Å | |
| C3 | C11 | sing | 1.51Å | 1.47Å | |
| C4 | C6 | sing | 1.52Å | 1.67Å | |
| C5 | C13 | sing | 1.53Å | 1.50Å | |
| C5 | C14 | sing | 1.52Å | 1.61Å | |
| C5 | C30 | sing | 1.53Å | 1.53Å | |
| C6 | C13 | sing | 1.52Å | 1.49Å | |
| C6 | N1 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | doub | 1.39Å | 1.47Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.31Å | Aromatic |
| C7 | O4 | sing | 1.36Å | 1.41Å | |
| C8 | C9 | sing | 1.38Å | 1.31Å | Aromatic |
| C8 | O5 | sing | 1.36Å | 1.41Å | |
| C9 | C10 | doub | 1.38Å | 1.55Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.27Å | Aromatic |
| C10 | C15 | sing | 1.50Å | 1.46Å | |
| C11 | C12 | doub | 1.38Å | 1.54Å | Aromatic |
| C14 | C15 | sing | 1.52Å | 1.56Å | |
| N1 | C16 | sing | 1.35Å | 1.46Å | |
| C16 | N2 | sing | 1.35Å | 1.48Å | |
| C16 | O1 | doub | 1.22Å | 1.18Å | |
| N2 | C17 | sing | 1.47Å | 1.48Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | C21 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | N3 | sing | 1.47Å | 1.45Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | N3 | sing | 1.47Å | 1.45Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C22 | C27 | sing | 1.51Å | 1.53Å | |
| C23 | C26 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | O3 | sing | 1.43Å | 1.39Å | |
| C26 | O3 | sing | 1.43Å | 1.38Å | |
| N3 | C27 | sing | 1.35Å | 1.46Å | |
| C27 | O2 | doub | 1.21Å | 1.17Å | |
| O4 | C28 | sing | 1.43Å | 1.41Å | |
| O5 | C29 | sing | 1.43Å | 1.41Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | C5 | 115.2° | 111.9° |
| C1 | C3 | C4 | 112.0° | 116.0° |
| C1 | C3 | C11 | 109.9° | 110.4° |
| C3 | C1 | H4 | 108.0° | 109.0° |
| C3 | C1 | H3 | 108.0° | 109.0° |
| C1 | C3 | H7 | 106.9° | 105.3° |
| C1 | C5 | C13 | 110.7° | 110.3° |
| C1 | C5 | C14 | 110.2° | 111.5° |
| C1 | C5 | C30 | 108.5° | 108.3° |
| C5 | C1 | H4 | 108.0° | 109.0° |
| C5 | C1 | H3 | 108.0° | 109.0° |
| C6 | C2 | C15 | 120.6° | 113.3° |
| C2 | C6 | C4 | 106.1° | 108.5° |
| C2 | C6 | C13 | 111.0° | 110.6° |
| C2 | C6 | N1 | 107.1° | 109.3° |
| C6 | C2 | H5 | 106.6° | 108.7° |
| C6 | C2 | H6 | 106.6° | 108.7° |
| C2 | C15 | C10 | 114.2° | 114.1° |
| C2 | C15 | C14 | 109.7° | 116.0° |
| C15 | C2 | H5 | 106.6° | 108.7° |
| C15 | C2 | H6 | 106.6° | 108.7° |
| C2 | C15 | H16 | 107.4° | 105.5° |
| C4 | C3 | C11 | 113.1° | 114.0° |
| C3 | C4 | C6 | 108.6° | 113.3° |
| C4 | C3 | H7 | 106.3° | 105.5° |
| C3 | C4 | H8 | 109.7° | 108.7° |
| C3 | C4 | H9 | 109.7° | 108.7° |
| C3 | C11 | C10 | 124.9° | 119.8° |
| C3 | C11 | C12 | 116.8° | 120.4° |
| C11 | C3 | H7 | 108.2° | 104.4° |
| C4 | C6 | C13 | 110.7° | 110.6° |
| C4 | C6 | N1 | 110.6° | 109.2° |
| C6 | C4 | H8 | 109.7° | 108.7° |
| C6 | C4 | H9 | 109.7° | 108.7° |
| C13 | C5 | C14 | 110.1° | 110.4° |
| C13 | C5 | C30 | 109.3° | 108.3° |
| C5 | C13 | C6 | 112.3° | 109.4° |
| C5 | C13 | H13 | 108.7° | 109.5° |
| C5 | C13 | H12 | 108.8° | 109.5° |
| C14 | C5 | C30 | 107.9° | 107.9° |
| C5 | C14 | C15 | 110.9° | 111.9° |
| C5 | C14 | H15 | 109.1° | 109.1° |
| C5 | C14 | H14 | 109.1° | 108.9° |
| C5 | C30 | H43 | 109.5° | 109.5° |
| C5 | C30 | H41 | 109.4° | 109.5° |
| C5 | C30 | H42 | 109.5° | 109.5° |
| C13 | C6 | N1 | 111.2° | 108.6° |
| C6 | C13 | H13 | 108.8° | 109.5° |
| C6 | C13 | H12 | 108.8° | 109.4° |
| C6 | N1 | C16 | 125.4° | 120.0° |
| C6 | N1 | H1 | 117.3° | 120.0° |
| C8 | C7 | C12 | 119.9° | 119.8° |
| C8 | C7 | O4 | 119.0° | 120.1° |
| C7 | C8 | C9 | 118.9° | 119.8° |
| C7 | C8 | O5 | 119.3° | 120.1° |
| C12 | C7 | O4 | 121.1° | 120.1° |
| C7 | C12 | C11 | 121.9° | 120.5° |
| C7 | C12 | H11 | 119.1° | 119.8° |
| C7 | O4 | C28 | 113.0° | 117.0° |
| C9 | C8 | O5 | 121.8° | 120.2° |
| C8 | C9 | C10 | 121.6° | 120.5° |
| C8 | C9 | H10 | 119.2° | 119.8° |
| C8 | O5 | C29 | 116.5° | 116.9° |
| C9 | C10 | C11 | 119.6° | 119.7° |
| C9 | C10 | C15 | 115.0° | 120.5° |
| C10 | C9 | H10 | 119.2° | 119.7° |
| C11 | C10 | C15 | 125.5° | 119.9° |
| C10 | C11 | C12 | 118.2° | 119.8° |
| C10 | C15 | C14 | 110.5° | 110.3° |
| C10 | C15 | H16 | 107.9° | 105.2° |
| C11 | C12 | H11 | 119.1° | 119.7° |
| C15 | C14 | H15 | 109.1° | 109.0° |
| C15 | C14 | H14 | 109.1° | 109.0° |
| C14 | C15 | H16 | 106.7° | 104.5° |
| N1 | C16 | N2 | 119.6° | 120.0° |
| N1 | C16 | O1 | 119.1° | 120.0° |
| C16 | N1 | H1 | 117.3° | 120.0° |
| N2 | C16 | O1 | 121.4° | 120.0° |
| C16 | N2 | C17 | 125.3° | 120.0° |
| C16 | N2 | H2 | 117.3° | 120.0° |
| N2 | C17 | C18 | 106.3° | 109.5° |
| N2 | C17 | C21 | 112.9° | 109.4° |
| N2 | C17 | H17 | 109.1° | 109.4° |
| C17 | N2 | H2 | 117.4° | 120.0° |
| C18 | C17 | C21 | 111.7° | 109.6° |
| C17 | C18 | C19 | 119.4° | 109.3° |
| C18 | C17 | H17 | 108.3° | 109.4° |
| C17 | C18 | H18 | 106.9° | 109.5° |
| C17 | C18 | H19 | 106.9° | 109.5° |
| C17 | C21 | C20 | 115.5° | 109.3° |
| C17 | C21 | H25 | 107.9° | 109.5° |
| C17 | C21 | H24 | 107.9° | 109.5° |
| C21 | C17 | H17 | 108.4° | 109.5° |
| C18 | C19 | N3 | 114.6° | 108.8° |
| C18 | C19 | H20 | 108.2° | 109.6° |
| C18 | C19 | H21 | 108.2° | 109.7° |
| C19 | C18 | H18 | 106.9° | 109.5° |
| C19 | C18 | H19 | 106.9° | 109.5° |
| C19 | N3 | C20 | 119.4° | 118.7° |
| C19 | N3 | C27 | 123.4° | 120.6° |
| N3 | C19 | H20 | 108.2° | 109.6° |
| N3 | C19 | H21 | 108.2° | 109.6° |
| C21 | C20 | N3 | 115.7° | 108.8° |
| C21 | C20 | H23 | 107.9° | 109.5° |
| C21 | C20 | H22 | 107.9° | 109.6° |
| C20 | C21 | H25 | 108.0° | 109.5° |
| C20 | C21 | H24 | 108.0° | 109.5° |
| C20 | N3 | C27 | 117.0° | 120.7° |
| N3 | C20 | H23 | 107.9° | 109.6° |
| N3 | C20 | H22 | 107.9° | 109.6° |
| C23 | C22 | C24 | 109.6° | 109.0° |
| C23 | C22 | C27 | 109.7° | 109.5° |
| C22 | C23 | C26 | 111.0° | 109.2° |
| C23 | C22 | H26 | 108.0° | 109.5° |
| C22 | C23 | H28 | 109.1° | 109.6° |
| C22 | C23 | H27 | 109.1° | 109.5° |
| C24 | C22 | C27 | 113.3° | 109.5° |
| C22 | C24 | C25 | 111.3° | 109.1° |
| C24 | C22 | H26 | 108.0° | 109.6° |
| C22 | C24 | H29 | 109.0° | 109.5° |
| C22 | C24 | H30 | 109.0° | 109.5° |
| C22 | C27 | N3 | 127.7° | 120.0° |
| C22 | C27 | O2 | 114.9° | 120.0° |
| C27 | C22 | H26 | 108.0° | 109.6° |
| C23 | C26 | O3 | 108.0° | 109.4° |
| C26 | C23 | H28 | 109.1° | 109.5° |
| C26 | C23 | H27 | 109.1° | 109.5° |
| C23 | C26 | H34 | 109.9° | 109.5° |
| C23 | C26 | H33 | 109.8° | 109.5° |
| C24 | C25 | O3 | 111.6° | 109.4° |
| C25 | C24 | H29 | 109.0° | 109.5° |
| C25 | C24 | H30 | 109.0° | 109.5° |
| C24 | C25 | H32 | 108.9° | 109.4° |
| C24 | C25 | H31 | 109.0° | 109.5° |
| C25 | O3 | C26 | 108.7° | 114.1° |
| O3 | C25 | H32 | 109.0° | 109.5° |
| O3 | C25 | H31 | 108.9° | 109.5° |
| O3 | C26 | H34 | 109.8° | 109.5° |
| O3 | C26 | H33 | 109.8° | 109.5° |
| N3 | C27 | O2 | 117.4° | 120.1° |
| O4 | C28 | H37 | 109.5° | 109.4° |
| O4 | C28 | H35 | 109.5° | 109.5° |
| O4 | C28 | H36 | 109.5° | 109.4° |
| O5 | C29 | H40 | 109.5° | 109.5° |
| O5 | C29 | H39 | 109.5° | 109.5° |
| O5 | C29 | H38 | 109.5° | 109.5° |
| H4 | C1 | H3 | 109.5° | 108.9° |
| H5 | C2 | H6 | 109.5° | 108.6° |
| H13 | C13 | H12 | 109.5° | 109.5° |
| H15 | C14 | H14 | 109.5° | 109.0° |
| H20 | C19 | H21 | 109.5° | 109.6° |
| H23 | C20 | H22 | 109.5° | 109.7° |
| H25 | C21 | H24 | 109.5° | 109.5° |
| H29 | C24 | H30 | 109.5° | 109.6° |
| H43 | C30 | H41 | 109.4° | 109.4° |
| H43 | C30 | H42 | 109.5° | 109.5° |
| H41 | C30 | H42 | 109.5° | 109.4° |
| H18 | C18 | H19 | 109.5° | 109.6° |
| H28 | C23 | H27 | 109.5° | 109.6° |
| H32 | C25 | H31 | 109.4° | 109.5° |
| H34 | C26 | H33 | 109.5° | 109.5° |
| H37 | C28 | H35 | 109.5° | 109.4° |
| H37 | C28 | H36 | 109.5° | 109.5° |
| H35 | C28 | H36 | 109.5° | 109.5° |
| H40 | C29 | H39 | 109.5° | 109.5° |
| H40 | C29 | H38 | 109.5° | 109.4° |
| H39 | C29 | H38 | 109.5° | 109.4° |
| H8 | C4 | H9 | 109.5° | 108.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | C5 | H4 | 120.8° | 120.6° |
| C3 | C1 | C5 | H3 | 120.8° | 120.6° |
| C1 | C3 | C4 | C11 | 124.9° | 129.9° |
| C1 | C3 | C4 | H7 | 116.5° | 116.2° |
| C1 | C3 | C11 | H7 | 116.5° | 112.7° |
| C1 | C3 | C4 | C6 | 43.9° | 44.0° |
| C3 | C1 | C5 | C13 | 54.0° | 53.4° |
| C3 | C1 | C5 | C14 | 68.0° | 69.6° |
| C3 | C1 | C5 | C30 | 174.0° | 171.8° |
| C1 | C3 | C11 | C10 | 63.3° | 68.4° |
| C1 | C3 | C11 | C12 | 116.0° | 111.5° |
| C3 | C1 | H4 | H3 | 117.4° | 118.9° |
| C1 | C3 | C4 | H8 | 163.8° | 165.0° |
| C1 | C3 | C4 | H9 | 76.0° | 76.9° |
| C5 | C1 | C3 | C4 | 46.7° | 45.1° |
| C5 | C1 | C3 | C11 | 79.9° | 86.5° |
| C1 | C5 | C13 | C14 | 122.1° | 123.7° |
| C1 | C5 | C13 | C30 | 119.5° | 118.4° |
| C1 | C5 | C14 | C30 | 118.3° | 118.8° |
| C1 | C5 | C13 | C6 | 62.7° | 61.9° |
| C1 | C5 | C14 | C15 | 67.3° | 69.7° |
| C5 | C1 | H4 | H3 | 117.4° | 118.8° |
| C5 | C1 | C3 | H7 | 162.8° | 161.4° |
| C1 | C5 | C13 | H13 | 57.7° | 58.1° |
| C1 | C5 | C13 | H12 | 176.9° | 178.2° |
| C1 | C5 | C14 | H15 | 172.4° | 51.0° |
| C1 | C5 | C14 | H14 | 52.9° | 169.8° |
| C1 | C5 | C30 | H43 | 180.0° | 60.0° |
| C1 | C5 | C30 | H41 | 60.0° | 180.0° |
| C1 | C5 | C30 | H42 | 60.0° | 60.0° |
| C6 | C2 | C15 | H5 | 121.5° | 120.9° |
| C6 | C2 | C15 | H6 | 121.6° | 121.0° |
| C2 | C6 | C4 | C3 | 68.1° | 70.5° |
| C2 | C6 | C4 | C13 | 120.6° | 121.5° |
| C2 | C6 | C4 | N1 | 115.8° | 119.0° |
| C2 | C6 | C13 | C5 | 54.6° | 60.1° |
| C2 | C6 | C13 | N1 | 119.1° | 119.9° |
| C6 | C2 | C15 | C10 | 79.7° | 85.9° |
| C6 | C2 | C15 | C14 | 45.0° | 44.0° |
| C2 | C6 | N1 | C16 | 174.3° | 59.9° |
| C6 | C2 | H5 | H6 | 115.0° | 118.2° |
| C2 | C6 | C13 | H13 | 175.0° | 179.9° |
| C2 | C6 | C13 | H12 | 65.8° | 59.8° |
| C6 | C2 | C15 | H16 | 160.6° | 159.1° |
| C2 | C6 | C4 | H8 | 51.8° | 50.5° |
| C2 | C6 | C4 | H9 | 172.0° | 168.6° |
| C2 | C6 | N1 | H1 | 5.7° | 120.0° |
| C15 | C2 | C6 | C4 | 71.7° | 70.4° |
| C2 | C15 | C14 | C5 | 45.6° | 45.1° |
| C15 | C2 | C6 | C13 | 48.7° | 51.0° |
| C15 | C2 | C6 | N1 | 170.2° | 170.5° |
| C2 | C15 | C10 | C9 | 123.3° | 115.7° |
| C2 | C15 | C10 | C11 | 57.0° | 64.3° |
| C2 | C15 | C10 | C14 | 124.3° | 132.7° |
| C2 | C15 | C10 | H16 | 119.3° | 115.1° |
| C2 | C15 | C14 | H16 | 116.1° | 115.6° |
| C15 | C2 | H5 | H6 | 115.0° | 118.1° |
| C2 | C15 | C14 | H15 | 74.7° | 165.8° |
| C2 | C15 | C14 | H14 | 165.8° | 75.4° |
| C4 | C3 | C11 | H7 | 117.5° | 114.6° |
| C3 | C4 | C6 | H8 | 119.9° | 121.0° |
| C3 | C4 | C6 | H9 | 119.9° | 120.9° |
| C3 | C4 | C6 | C13 | 52.5° | 50.9° |
| C3 | C4 | C6 | N1 | 176.1° | 170.4° |
| C4 | C3 | C11 | C10 | 62.7° | 64.2° |
| C4 | C3 | C11 | C12 | 118.0° | 115.9° |
| C4 | C3 | C1 | H4 | 74.1° | 75.5° |
| C4 | C3 | C1 | H3 | 167.5° | 165.7° |
| C3 | C4 | H8 | H9 | 120.4° | 118.1° |
| C11 | C3 | C4 | C6 | 81.0° | 85.9° |
| C3 | C11 | C12 | C7 | 179.4° | 180.0° |
| C3 | C11 | C10 | C9 | 179.4° | 180.0° |
| C3 | C11 | C10 | C12 | 179.3° | 179.9° |
| C3 | C11 | C10 | C15 | 0.3° | 0.0° |
| C11 | C3 | C1 | H4 | 159.2° | 152.9° |
| C11 | C3 | C1 | H3 | 40.9° | 34.1° |
| C3 | C11 | C12 | H11 | 0.6° | 0.0° |
| C11 | C3 | C4 | H8 | 38.9° | 35.2° |
| C11 | C3 | C4 | H9 | 159.2° | 153.2° |
| C4 | C6 | C13 | C5 | 63.0° | 60.1° |
| C4 | C6 | C13 | N1 | 123.3° | 119.9° |
| C4 | C6 | N1 | C16 | 70.6° | 58.7° |
| C4 | C6 | C2 | H5 | 49.9° | 168.6° |
| C4 | C6 | C2 | H6 | 166.8° | 50.5° |
| C6 | C4 | C3 | H7 | 160.4° | 160.2° |
| C4 | C6 | C13 | H13 | 57.4° | 59.9° |
| C4 | C6 | C13 | H12 | 176.6° | 179.9° |
| C6 | C4 | H8 | H9 | 120.4° | 118.1° |
| C4 | C6 | N1 | H1 | 109.5° | 121.4° |
| C13 | C5 | C14 | C30 | 119.2° | 118.2° |
| C5 | C13 | C6 | H13 | 120.4° | 120.0° |
| C5 | C13 | C6 | H12 | 120.4° | 120.0° |
| C5 | C13 | C6 | N1 | 173.7° | 180.0° |
| C13 | C5 | C14 | C15 | 55.1° | 53.3° |
| C13 | C5 | C1 | H4 | 66.8° | 67.2° |
| C13 | C5 | C1 | H3 | 174.8° | 174.0° |
| C5 | C13 | H13 | H12 | 118.7° | 120.0° |
| C13 | C5 | C14 | H15 | 65.1° | 174.0° |
| C13 | C5 | C14 | H14 | 175.3° | 67.2° |
| C13 | C5 | C30 | H43 | 59.1° | 179.7° |
| C13 | C5 | C30 | H41 | 60.9° | 60.3° |
| C13 | C5 | C30 | H42 | 179.1° | 59.6° |
| C14 | C5 | C13 | C6 | 59.4° | 61.8° |
| C5 | C14 | C15 | C10 | 81.3° | 86.6° |
| C5 | C14 | C15 | H15 | 120.2° | 120.7° |
| C5 | C14 | C15 | H14 | 120.2° | 120.5° |
| C14 | C5 | C1 | H4 | 171.1° | 169.8° |
| C14 | C5 | C1 | H3 | 52.8° | 51.0° |
| C14 | C5 | C13 | H13 | 179.8° | 178.2° |
| C14 | C5 | C13 | H12 | 61.0° | 58.1° |
| C5 | C14 | H15 | H14 | 119.3° | 118.8° |
| C5 | C14 | C15 | H16 | 161.6° | 160.7° |
| C14 | C5 | C30 | H43 | 60.6° | 60.8° |
| C14 | C5 | C30 | H41 | 179.4° | 59.2° |
| C14 | C5 | C30 | H42 | 59.4° | 179.1° |
| C30 | C5 | C13 | C6 | 177.7° | 179.7° |
| C30 | C5 | C14 | C15 | 174.3° | 171.5° |
| C30 | C5 | C1 | H4 | 53.2° | 51.2° |
| C30 | C5 | C1 | H3 | 65.1° | 67.5° |
| C30 | C5 | C13 | H13 | 61.8° | 60.3° |
| C30 | C5 | C13 | H12 | 57.3° | 59.8° |
| C30 | C5 | C14 | H15 | 54.1° | 67.9° |
| C30 | C5 | C14 | H14 | 65.4° | 51.0° |
| C5 | C30 | H43 | H41 | 120.0° | 120.0° |
| C5 | C30 | H43 | H42 | 120.0° | 120.1° |
| C5 | C30 | H41 | H42 | 120.0° | 120.0° |
| C13 | C6 | N1 | C16 | 52.8° | 179.3° |
| C13 | C6 | C2 | H5 | 170.2° | 70.0° |
| C13 | C6 | C2 | H6 | 72.9° | 172.0° |
| C6 | C13 | H13 | H12 | 118.7° | 120.0° |
| C13 | C6 | C4 | H8 | 172.3° | 172.0° |
| C13 | C6 | C4 | H9 | 67.4° | 70.0° |
| C13 | C6 | N1 | H1 | 127.2° | 0.7° |
| C6 | N1 | C16 | H1 | 180.0° | 179.9° |
| C6 | N1 | C16 | N2 | 179.1° | 180.0° |
| C6 | N1 | C16 | O1 | 0.3° | 0.1° |
| N1 | C6 | C2 | H5 | 68.2° | 49.6° |
| N1 | C6 | C2 | H6 | 48.7° | 68.5° |
| N1 | C6 | C13 | H13 | 65.9° | 60.0° |
| N1 | C6 | C13 | H12 | 53.3° | 60.1° |
| N1 | C6 | C4 | H8 | 64.0° | 68.5° |
| N1 | C6 | C4 | H9 | 56.3° | 49.5° |
| C8 | C7 | C12 | O4 | 179.0° | 179.9° |
| C7 | C8 | C9 | O5 | 179.4° | 179.9° |
| C7 | C8 | C9 | C10 | 0.5° | 0.0° |
| C8 | C7 | C12 | C11 | 0.3° | 0.1° |
| C8 | C7 | O4 | C28 | 78.6° | 180.0° |
| C7 | C8 | O5 | C29 | 88.0° | 180.0° |
| C7 | C8 | C9 | H10 | 179.5° | 180.0° |
| C8 | C7 | C12 | H11 | 179.7° | 180.0° |
| C12 | C7 | C8 | C9 | 0.6° | 0.1° |
| C12 | C7 | C8 | O5 | 180.0° | 180.0° |
| C7 | C12 | C11 | C10 | 0.0° | 0.0° |
| C7 | C12 | C11 | H11 | 180.0° | 179.9° |
| C12 | C7 | O4 | C28 | 100.4° | 0.1° |
| O4 | C7 | C8 | C9 | 179.6° | 180.0° |
| O4 | C7 | C8 | O5 | 1.0° | 0.1° |
| O4 | C7 | C12 | C11 | 179.3° | 180.0° |
| O4 | C7 | C12 | H11 | 0.7° | 0.1° |
| C7 | O4 | C28 | H37 | 180.0° | 179.9° |
| C7 | O4 | C28 | H35 | 60.0° | 60.0° |
| C7 | O4 | C28 | H36 | 60.0° | 60.1° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C8 | C9 | C10 | C15 | 179.9° | 180.0° |
| C9 | C8 | O5 | C29 | 92.6° | 0.1° |
| O5 | C8 | C9 | C10 | 179.9° | 180.0° |
| O5 | C8 | C9 | H10 | 0.1° | 0.1° |
| C8 | O5 | C29 | H40 | 180.0° | 60.0° |
| C8 | O5 | C29 | H39 | 60.0° | 60.0° |
| C8 | O5 | C29 | H38 | 60.0° | 180.0° |
| C9 | C10 | C11 | C15 | 179.7° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.1° |
| C9 | C10 | C15 | C14 | 112.4° | 111.6° |
| C9 | C10 | C15 | H16 | 3.9° | 0.6° |
| C11 | C10 | C15 | C14 | 67.2° | 68.4° |
| C10 | C11 | C3 | H7 | 179.8° | 178.8° |
| C11 | C10 | C9 | H10 | 179.8° | 179.9° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C11 | C10 | C15 | H16 | 176.4° | 179.4° |
| C15 | C10 | C11 | C12 | 179.6° | 179.9° |
| C10 | C15 | C14 | H16 | 117.1° | 112.7° |
| C10 | C15 | C2 | H5 | 41.8° | 153.2° |
| C10 | C15 | C2 | H6 | 158.7° | 35.1° |
| C15 | C10 | C9 | H10 | 0.1° | 0.1° |
| C10 | C15 | C14 | H15 | 158.5° | 34.1° |
| C10 | C15 | C14 | H14 | 39.0° | 152.9° |
| C12 | C11 | C3 | H7 | 0.4° | 1.2° |
| C14 | C15 | C2 | H5 | 166.5° | 76.9° |
| C14 | C15 | C2 | H6 | 76.6° | 165.0° |
| C15 | C14 | H15 | H14 | 119.3° | 118.8° |
| N1 | C16 | N2 | O1 | 179.3° | 180.0° |
| N1 | C16 | N2 | C17 | 178.7° | 180.0° |
| N1 | C16 | N2 | H2 | 1.2° | 0.1° |
| C16 | N2 | C17 | H2 | 180.0° | 179.9° |
| C16 | N2 | C17 | C18 | 72.9° | 155.0° |
| C16 | N2 | C17 | C21 | 164.3° | 84.9° |
| C16 | N2 | C17 | H17 | 43.7° | 35.0° |
| N2 | C16 | N1 | H1 | 0.9° | 0.1° |
| O1 | C16 | N2 | C17 | 2.0° | 0.0° |
| O1 | C16 | N1 | H1 | 179.7° | 180.0° |
| O1 | C16 | N2 | H2 | 178.1° | 180.0° |
| N2 | C17 | C18 | C21 | 123.6° | 120.0° |
| N2 | C17 | C18 | H17 | 117.1° | 119.9° |
| N2 | C17 | C21 | H17 | 121.0° | 120.0° |
| N2 | C17 | C18 | C19 | 142.6° | 178.6° |
| N2 | C17 | C21 | C20 | 95.7° | 178.6° |
| N2 | C17 | C21 | H25 | 143.4° | 61.5° |
| N2 | C17 | C21 | H24 | 25.2° | 58.6° |
| N2 | C17 | C18 | H18 | 21.2° | 58.7° |
| N2 | C17 | C18 | H19 | 96.0° | 61.5° |
| C18 | C17 | C21 | H17 | 119.3° | 120.0° |
| C17 | C18 | C19 | H18 | 121.4° | 120.0° |
| C17 | C18 | C19 | H19 | 121.4° | 119.9° |
| C17 | C18 | C19 | N3 | 40.5° | 54.6° |
| C18 | C17 | C21 | C20 | 24.1° | 61.4° |
| C17 | C18 | C19 | H20 | 161.2° | 174.4° |
| C17 | C18 | C19 | H21 | 80.2° | 65.2° |
| C18 | C17 | C21 | H25 | 96.8° | 58.6° |
| C18 | C17 | C21 | H24 | 144.9° | 178.7° |
| C17 | C18 | H18 | H19 | 115.5° | 120.1° |
| C18 | C17 | N2 | H2 | 107.1° | 25.0° |
| C21 | C17 | C18 | C19 | 19.0° | 61.4° |
| C17 | C21 | C20 | H25 | 120.9° | 120.0° |
| C17 | C21 | C20 | H24 | 120.9° | 120.0° |
| C17 | C21 | C20 | N3 | 49.0° | 54.6° |
| C17 | C21 | C20 | H23 | 169.9° | 65.2° |
| C17 | C21 | C20 | H22 | 71.9° | 174.4° |
| C17 | C21 | H25 | H24 | 117.3° | 120.1° |
| C21 | C17 | C18 | H18 | 102.4° | 178.7° |
| C21 | C17 | C18 | H19 | 140.4° | 58.5° |
| C21 | C17 | N2 | H2 | 15.7° | 95.1° |
| C18 | C19 | N3 | H20 | 120.7° | 119.8° |
| C18 | C19 | N3 | H21 | 120.7° | 120.0° |
| C18 | C19 | N3 | C20 | 15.6° | 53.6° |
| C18 | C19 | N3 | C27 | 161.0° | 126.3° |
| C18 | C19 | H20 | H21 | 117.7° | 120.5° |
| C19 | C18 | C17 | H17 | 100.3° | 58.7° |
| C19 | C18 | H18 | H19 | 115.5° | 120.1° |
| C19 | N3 | C20 | C21 | 27.5° | 53.6° |
| C19 | N3 | C20 | C27 | 176.8° | 180.0° |
| C19 | N3 | C27 | C22 | 2.0° | 174.8° |
| C19 | N3 | C27 | O2 | 178.0° | 5.3° |
| N3 | C19 | H20 | H21 | 117.7° | 120.2° |
| C19 | N3 | C20 | H23 | 148.4° | 66.1° |
| C19 | N3 | C20 | H22 | 93.4° | 173.4° |
| N3 | C19 | C18 | H18 | 80.9° | 174.6° |
| N3 | C19 | C18 | H19 | 161.9° | 65.3° |
| C21 | C20 | N3 | H23 | 120.9° | 119.8° |
| C21 | C20 | N3 | H22 | 120.9° | 119.8° |
| C21 | C20 | N3 | C27 | 155.7° | 126.4° |
| C21 | C20 | H23 | H22 | 117.2° | 120.3° |
| C20 | C21 | H25 | H24 | 117.3° | 120.0° |
| C20 | C21 | C17 | H17 | 143.4° | 58.7° |
| C20 | N3 | C27 | C22 | 178.7° | 5.2° |
| C20 | N3 | C27 | O2 | 1.4° | 174.8° |
| C20 | N3 | C19 | H20 | 136.3° | 173.4° |
| C20 | N3 | C19 | H21 | 105.2° | 66.3° |
| N3 | C20 | H23 | H22 | 117.2° | 120.4° |
| N3 | C20 | C21 | H25 | 71.9° | 65.3° |
| N3 | C20 | C21 | H24 | 169.8° | 174.6° |
| C23 | C22 | C24 | C27 | 122.9° | 119.8° |
| C23 | C22 | C24 | H26 | 117.5° | 119.9° |
| C23 | C22 | C27 | H26 | 117.5° | 120.2° |
| C22 | C23 | C26 | H28 | 120.2° | 119.9° |
| C22 | C23 | C26 | H27 | 120.2° | 119.9° |
| C23 | C22 | C24 | C25 | 52.9° | 57.0° |
| C22 | C23 | C26 | O3 | 32.6° | 57.6° |
| C23 | C22 | C27 | N3 | 70.7° | 155.6° |
| C23 | C22 | C27 | O2 | 109.3° | 24.4° |
| C23 | C22 | C24 | H29 | 67.4° | 62.9° |
| C23 | C22 | C24 | H30 | 173.1° | 176.9° |
| C22 | C23 | H28 | H27 | 119.3° | 120.1° |
| C22 | C23 | C26 | H34 | 152.3° | 62.4° |
| C22 | C23 | C26 | H33 | 87.2° | 177.6° |
| C24 | C22 | C27 | H26 | 119.7° | 120.2° |
| C24 | C22 | C23 | C26 | 29.4° | 57.0° |
| C22 | C24 | C25 | H29 | 120.2° | 119.9° |
| C22 | C24 | C25 | H30 | 120.3° | 119.9° |
| C22 | C24 | C25 | O3 | 13.2° | 57.6° |
| C24 | C22 | C27 | N3 | 52.1° | 84.9° |
| C24 | C22 | C27 | O2 | 127.8° | 95.1° |
| C22 | C24 | H29 | H30 | 119.2° | 120.2° |
| C24 | C22 | C23 | H28 | 149.6° | 176.9° |
| C24 | C22 | C23 | H27 | 90.8° | 62.9° |
| C22 | C24 | C25 | H32 | 133.6° | 177.6° |
| C22 | C24 | C25 | H31 | 107.1° | 62.4° |
| C27 | C22 | C23 | C26 | 154.4° | 176.8° |
| C27 | C22 | C24 | C25 | 175.8° | 176.8° |
| C22 | C27 | N3 | O2 | 179.9° | 180.0° |
| C27 | C22 | C24 | H29 | 55.5° | 56.9° |
| C27 | C22 | C24 | H30 | 64.0° | 63.3° |
| C27 | C22 | C23 | H28 | 85.4° | 63.2° |
| C27 | C22 | C23 | H27 | 34.2° | 56.9° |
| C23 | C26 | O3 | C25 | 78.7° | 61.2° |
| C23 | C26 | O3 | H34 | 119.8° | 120.0° |
| C23 | C26 | O3 | H33 | 119.8° | 120.0° |
| C26 | C23 | C22 | H26 | 88.1° | 62.9° |
| C26 | C23 | H28 | H27 | 119.3° | 120.1° |
| C23 | C26 | H34 | H33 | 120.7° | 120.1° |
| C24 | C25 | O3 | H32 | 120.3° | 119.9° |
| C24 | C25 | O3 | H31 | 120.3° | 120.0° |
| C24 | C25 | O3 | C26 | 52.9° | 61.2° |
| C25 | C24 | C22 | H26 | 64.6° | 62.9° |
| C25 | C24 | H29 | H30 | 119.2° | 120.2° |
| C24 | C25 | H32 | H31 | 119.0° | 120.0° |
| O3 | C25 | C24 | H29 | 107.0° | 62.3° |
| O3 | C25 | C24 | H30 | 133.5° | 177.5° |
| O3 | C25 | H32 | H31 | 119.0° | 120.1° |
| C25 | O3 | C26 | H34 | 161.5° | 58.8° |
| C25 | O3 | C26 | H33 | 41.1° | 178.8° |
| O3 | C26 | C23 | H28 | 87.7° | 177.5° |
| O3 | C26 | C23 | H27 | 152.8° | 62.3° |
| C26 | O3 | C25 | H32 | 67.5° | 178.9° |
| C26 | O3 | C25 | H31 | 173.2° | 58.8° |
| O3 | C26 | H34 | H33 | 120.7° | 120.0° |
| C27 | N3 | C19 | H20 | 40.2° | 6.6° |
| C27 | N3 | C19 | H21 | 78.3° | 113.7° |
| C27 | N3 | C20 | H23 | 34.8° | 113.9° |
| C27 | N3 | C20 | H22 | 83.4° | 6.6° |
| N3 | C27 | C22 | H26 | 171.7° | 35.4° |
| O2 | C27 | C22 | H26 | 8.2° | 144.7° |
| O4 | C28 | H37 | H35 | 120.0° | 119.9° |
| O4 | C28 | H37 | H36 | 120.0° | 120.0° |
| O4 | C28 | H35 | H36 | 120.0° | 120.0° |
| O5 | C29 | H40 | H39 | 120.0° | 120.0° |
| O5 | C29 | H40 | H38 | 120.0° | 120.0° |
| O5 | C29 | H39 | H38 | 120.0° | 120.0° |
| H4 | C1 | C3 | H7 | 42.0° | 40.8° |
| H3 | C1 | C3 | H7 | 76.4° | 78.0° |
| H5 | C2 | C15 | H16 | 77.8° | 38.2° |
| H6 | C2 | C15 | H16 | 39.1° | 79.9° |
| H7 | C3 | C4 | H8 | 79.8° | 78.8° |
| H7 | C3 | C4 | H9 | 40.5° | 39.2° |
| H15 | C14 | C15 | H16 | 41.4° | 78.6° |
| H14 | C14 | C15 | H16 | 78.2° | 40.3° |
| H20 | C19 | C18 | H18 | 39.8° | 65.6° |
| H20 | C19 | C18 | H19 | 77.4° | 54.5° |
| H21 | C19 | C18 | H18 | 158.3° | 54.7° |
| H21 | C19 | C18 | H19 | 41.1° | 174.9° |
| H23 | C20 | C21 | H25 | 49.0° | 174.9° |
| H23 | C20 | C21 | H24 | 69.3° | 54.8° |
| H22 | C20 | C21 | H25 | 167.2° | 54.5° |
| H22 | C20 | C21 | H24 | 48.9° | 65.6° |
| H25 | C21 | C17 | H17 | 22.5° | 178.6° |
| H24 | C21 | C17 | H17 | 95.8° | 61.3° |
| H26 | C22 | C24 | H29 | 175.1° | 177.2° |
| H26 | C22 | C24 | H30 | 55.6° | 57.0° |
| H26 | C22 | C23 | H28 | 32.1° | 57.0° |
| H26 | C22 | C23 | H27 | 151.7° | 177.2° |
| H29 | C24 | C25 | H32 | 13.3° | 57.7° |
| H29 | C24 | C25 | H31 | 132.7° | 177.7° |
| H30 | C24 | C25 | H32 | 106.2° | 62.5° |
| H30 | C24 | C25 | H31 | 13.2° | 57.5° |
| H43 | C30 | H41 | H42 | 120.0° | 120.0° |
| H17 | C17 | C18 | H18 | 138.3° | 61.3° |
| H17 | C17 | C18 | H19 | 21.1° | 178.6° |
| H17 | C17 | N2 | H2 | 136.3° | 144.9° |
| H28 | C23 | C26 | H34 | 32.1° | 57.6° |
| H28 | C23 | C26 | H33 | 152.6° | 62.5° |
| H27 | C23 | C26 | H34 | 87.5° | 177.8° |
| H27 | C23 | C26 | H33 | 33.0° | 57.7° |
| H37 | C28 | H35 | H36 | 120.0° | 120.1° |
| H40 | C29 | H39 | H38 | 120.0° | 120.0° |
