9KY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C28 | sing | 1.53Å | 1.58Å | |
| C33 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | C23 | sing | 1.53Å | 1.57Å | |
| C29 | C22 | sing | 1.53Å | 1.54Å | |
| C23 | C11 | sing | 1.53Å | 1.53Å | |
| C22 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C5 | sing | 1.53Å | 1.56Å | |
| O10 | C4 | doub | 1.21Å | 1.22Å | |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| C5 | N2 | sing | 1.46Å | 1.51Å | |
| C4 | N8 | sing | 1.35Å | 1.33Å | |
| C18 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| N2 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| N2 | C1 | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | C7 | doub | 1.41Å | 1.40Å | Aromatic |
| C13 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| O20 | C21 | sing | 1.43Å | 1.41Å | |
| N8 | C14 | sing | 1.47Å | 1.46Å | |
| C1 | C9 | sing | 1.48Å | 1.47Å | |
| C1 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
| C27 | C19 | doub | 1.37Å | 1.39Å | Aromatic |
| C9 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | N3 | sing | 1.36Å | 1.40Å | Aromatic |
| C14 | C25 | sing | 1.53Å | 1.53Å | |
| C14 | C24 | sing | 1.53Å | 1.53Å | |
| C17 | C21 | sing | 1.51Å | 1.50Å | |
| C17 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C30 | sing | 1.53Å | 1.53Å | |
| C12 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| N8 | H13 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C32 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.08Å | 1.08Å | |
| C27 | H31 | sing | 1.08Å | 1.08Å | |
| C18 | H32 | sing | 1.08Å | 1.08Å | |
| C12 | H33 | sing | 1.08Å | 1.08Å | |
| C16 | H34 | sing | 1.08Å | 1.08Å | |
| O20 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C33 | C29 | 112.1° | 109.5° |
| C33 | C28 | C23 | 111.6° | 109.5° |
| C33 | C28 | H11 | 108.9° | 109.5° |
| C33 | C28 | H12 | 109.0° | 109.5° |
| C28 | C33 | H26 | 108.9° | 109.5° |
| C28 | C33 | H27 | 108.8° | 109.5° |
| C33 | C29 | C22 | 111.7° | 109.5° |
| C33 | C29 | H24 | 108.9° | 109.5° |
| C33 | C29 | H25 | 108.9° | 109.5° |
| C29 | C33 | H26 | 108.8° | 109.4° |
| C29 | C33 | H27 | 108.8° | 109.5° |
| C28 | C23 | C11 | 111.2° | 109.5° |
| C23 | C28 | H11 | 109.0° | 109.5° |
| C23 | C28 | H12 | 108.9° | 109.4° |
| C28 | C23 | H28 | 109.0° | 109.5° |
| C28 | C23 | H29 | 109.0° | 109.5° |
| C29 | C22 | C11 | 110.9° | 109.5° |
| C29 | C22 | H6 | 109.1° | 109.4° |
| C29 | C22 | H7 | 109.1° | 109.5° |
| C22 | C29 | H24 | 108.9° | 109.5° |
| C22 | C29 | H25 | 108.9° | 109.5° |
| C23 | C11 | C22 | 110.1° | 109.4° |
| C23 | C11 | C5 | 114.2° | 109.5° |
| C23 | C11 | H23 | 105.8° | 109.4° |
| C11 | C23 | H28 | 109.0° | 109.4° |
| C11 | C23 | H29 | 109.0° | 109.4° |
| C22 | C11 | C5 | 114.4° | 109.5° |
| C11 | C22 | H6 | 109.1° | 109.4° |
| C11 | C22 | H7 | 109.1° | 109.5° |
| C22 | C11 | H23 | 105.9° | 109.5° |
| C11 | C5 | C4 | 121.7° | 109.4° |
| C11 | C5 | N2 | 114.4° | 109.5° |
| C11 | C5 | H1 | 102.7° | 109.5° |
| C5 | C11 | H23 | 105.6° | 109.5° |
| O10 | C4 | C5 | 122.2° | 120.0° |
| O10 | C4 | N8 | 123.7° | 120.0° |
| C4 | C5 | N2 | 109.2° | 109.5° |
| C5 | C4 | N8 | 114.0° | 120.0° |
| C4 | C5 | H1 | 102.9° | 109.5° |
| C5 | N2 | C6 | 129.6° | 126.4° |
| C5 | N2 | C1 | 123.9° | 126.4° |
| N2 | C5 | H1 | 103.1° | 109.5° |
| C4 | N8 | C14 | 125.1° | 120.0° |
| C4 | N8 | H13 | 117.5° | 120.0° |
| C26 | C18 | C6 | 117.5° | 119.7° |
| C18 | C26 | C27 | 121.0° | 120.5° |
| C18 | C26 | H10 | 119.5° | 119.8° |
| C26 | C18 | H32 | 121.3° | 120.1° |
| C18 | C6 | N2 | 133.3° | 134.0° |
| C18 | C6 | C7 | 122.0° | 119.8° |
| C6 | C18 | H32 | 121.3° | 120.1° |
| C26 | C27 | C19 | 121.0° | 120.6° |
| C27 | C26 | H10 | 119.5° | 119.7° |
| C26 | C27 | H31 | 119.5° | 119.7° |
| C6 | N2 | C1 | 106.5° | 107.2° |
| N2 | C6 | C7 | 104.7° | 106.2° |
| N2 | C1 | C9 | 123.1° | 125.1° |
| N2 | C1 | N3 | 113.1° | 109.8° |
| C6 | C7 | C19 | 119.7° | 119.4° |
| C6 | C7 | N3 | 110.6° | 107.1° |
| C16 | C13 | C9 | 120.1° | 119.8° |
| C13 | C16 | C17 | 120.9° | 120.2° |
| C16 | C13 | H2 | 119.9° | 120.1° |
| C13 | C16 | H34 | 119.5° | 119.9° |
| C13 | C9 | C1 | 124.6° | 120.1° |
| C13 | C9 | C12 | 118.7° | 119.7° |
| C9 | C13 | H2 | 119.9° | 120.1° |
| C16 | C17 | C21 | 121.6° | 119.9° |
| C16 | C17 | C15 | 118.4° | 120.2° |
| C17 | C16 | H34 | 119.6° | 119.9° |
| O20 | C21 | C17 | 112.6° | 109.4° |
| O20 | C21 | H4 | 108.7° | 109.5° |
| O20 | C21 | H5 | 108.7° | 109.5° |
| C21 | O20 | H35 | 109.5° | 114.0° |
| N8 | C14 | C25 | 110.2° | 109.4° |
| N8 | C14 | C24 | 109.2° | 109.5° |
| C14 | N8 | H13 | 117.4° | 120.0° |
| N8 | C14 | H14 | 109.4° | 109.5° |
| C9 | C1 | N3 | 123.7° | 125.1° |
| C1 | C9 | C12 | 116.7° | 120.2° |
| C1 | N3 | C7 | 105.1° | 109.6° |
| C27 | C19 | C7 | 118.9° | 119.9° |
| C27 | C19 | H30 | 120.6° | 120.1° |
| C19 | C27 | H31 | 119.5° | 119.7° |
| C9 | C12 | C15 | 120.8° | 119.8° |
| C9 | C12 | H33 | 119.6° | 120.1° |
| C19 | C7 | N3 | 129.6° | 133.4° |
| C7 | C19 | H30 | 120.6° | 120.0° |
| C25 | C14 | C24 | 111.2° | 109.5° |
| C14 | C25 | C30 | 111.5° | 109.5° |
| C25 | C14 | H14 | 108.4° | 109.5° |
| C14 | C25 | H21 | 109.0° | 109.5° |
| C14 | C25 | H22 | 109.0° | 109.5° |
| C14 | C24 | C31 | 111.6° | 109.5° |
| C14 | C24 | H8 | 108.9° | 109.5° |
| C14 | C24 | H9 | 108.9° | 109.5° |
| C24 | C14 | H14 | 108.5° | 109.4° |
| C21 | C17 | C15 | 120.0° | 119.9° |
| C17 | C21 | H4 | 108.6° | 109.5° |
| C17 | C21 | H5 | 108.7° | 109.5° |
| C17 | C15 | C12 | 121.0° | 120.2° |
| C17 | C15 | H3 | 119.5° | 119.9° |
| C25 | C30 | C32 | 110.9° | 109.5° |
| C25 | C30 | H19 | 109.1° | 109.5° |
| C25 | C30 | H20 | 109.1° | 109.5° |
| C30 | C25 | H21 | 108.9° | 109.5° |
| C30 | C25 | H22 | 109.0° | 109.4° |
| C12 | C15 | H3 | 119.5° | 119.9° |
| C15 | C12 | H33 | 119.6° | 120.1° |
| C24 | C31 | C32 | 111.2° | 109.5° |
| C31 | C24 | H8 | 109.0° | 109.5° |
| C31 | C24 | H9 | 108.9° | 109.5° |
| C24 | C31 | H15 | 109.0° | 109.5° |
| C24 | C31 | H16 | 109.0° | 109.4° |
| C30 | C32 | C31 | 110.6° | 109.5° |
| C30 | C32 | H17 | 109.2° | 109.5° |
| C30 | C32 | H18 | 109.2° | 109.5° |
| C32 | C30 | H19 | 109.1° | 109.5° |
| C32 | C30 | H20 | 109.1° | 109.5° |
| C32 | C31 | H15 | 109.1° | 109.5° |
| C32 | C31 | H16 | 109.1° | 109.5° |
| C31 | C32 | H17 | 109.2° | 109.4° |
| C31 | C32 | H18 | 109.2° | 109.4° |
| H4 | C21 | H5 | 109.5° | 109.5° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.4° |
| H11 | C28 | H12 | 109.5° | 109.4° |
| H15 | C31 | H16 | 109.5° | 109.5° |
| H17 | C32 | H18 | 109.5° | 109.5° |
| H19 | C30 | H20 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H24 | C29 | H25 | 109.5° | 109.5° |
| H26 | C33 | H27 | 109.4° | 109.4° |
| H28 | C23 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C33 | C29 | H26 | 120.4° | 120.0° |
| C28 | C33 | C29 | H27 | 120.4° | 120.0° |
| C33 | C28 | C23 | H11 | 120.3° | 120.0° |
| C33 | C28 | C23 | H12 | 120.3° | 120.0° |
| C28 | C33 | C29 | C22 | 51.7° | 60.0° |
| C33 | C28 | C23 | C11 | 52.3° | 60.0° |
| C33 | C28 | H11 | H12 | 119.0° | 120.0° |
| C28 | C33 | C29 | H24 | 172.0° | 60.0° |
| C28 | C33 | C29 | H25 | 68.7° | 180.0° |
| C28 | C33 | H26 | H27 | 118.8° | 120.0° |
| C33 | C28 | C23 | H28 | 172.5° | 180.0° |
| C33 | C28 | C23 | H29 | 67.9° | 60.0° |
| C29 | C33 | C28 | C23 | 49.0° | 60.0° |
| C33 | C29 | C22 | H24 | 120.3° | 120.0° |
| C33 | C29 | C22 | H25 | 120.4° | 120.0° |
| C33 | C29 | C22 | C11 | 58.0° | 60.0° |
| C33 | C29 | C22 | H6 | 62.2° | 179.9° |
| C33 | C29 | C22 | H7 | 178.2° | 60.0° |
| C29 | C33 | C28 | H11 | 71.4° | 60.0° |
| C29 | C33 | C28 | H12 | 169.3° | 180.0° |
| C33 | C29 | H24 | H25 | 119.0° | 120.0° |
| C29 | C33 | H26 | H27 | 118.8° | 120.0° |
| C28 | C23 | C11 | H28 | 120.2° | 120.0° |
| C28 | C23 | C11 | H29 | 120.2° | 120.0° |
| C28 | C23 | C11 | C22 | 58.4° | 60.0° |
| C28 | C23 | C11 | C5 | 171.4° | 180.0° |
| C23 | C28 | H11 | H12 | 119.0° | 120.0° |
| C28 | C23 | C11 | H23 | 55.7° | 60.0° |
| C23 | C28 | C33 | H26 | 71.4° | 60.0° |
| C23 | C28 | C33 | H27 | 169.4° | 180.0° |
| C28 | C23 | H28 | H29 | 119.2° | 120.0° |
| C29 | C22 | C11 | C23 | 61.0° | 60.0° |
| C29 | C22 | C11 | H6 | 120.2° | 119.9° |
| C29 | C22 | C11 | H7 | 120.2° | 120.0° |
| C29 | C22 | C11 | C5 | 168.8° | 180.0° |
| C29 | C22 | H6 | H7 | 119.3° | 120.0° |
| C29 | C22 | C11 | H23 | 53.0° | 59.9° |
| C22 | C29 | H24 | H25 | 119.0° | 120.0° |
| C22 | C29 | C33 | H26 | 68.7° | 60.0° |
| C22 | C29 | C33 | H27 | 172.1° | 180.0° |
| C23 | C11 | C22 | C5 | 130.1° | 120.0° |
| C23 | C11 | C22 | H23 | 114.0° | 119.9° |
| C23 | C11 | C5 | H23 | 115.8° | 120.0° |
| C23 | C11 | C5 | C4 | 10.9° | 173.9° |
| C23 | C11 | C5 | N2 | 145.7° | 66.1° |
| C23 | C11 | C5 | H1 | 103.3° | 53.9° |
| C23 | C11 | C22 | H6 | 59.2° | 179.9° |
| C23 | C11 | C22 | H7 | 178.8° | 60.0° |
| C11 | C23 | C28 | H11 | 68.0° | 60.0° |
| C11 | C23 | C28 | H12 | 172.6° | 180.0° |
| C11 | C23 | H28 | H29 | 119.2° | 120.0° |
| C22 | C11 | C5 | H23 | 116.1° | 120.1° |
| C22 | C11 | C5 | C4 | 117.2° | 53.9° |
| C22 | C11 | C5 | N2 | 17.6° | 173.9° |
| C22 | C11 | C5 | H1 | 128.6° | 66.1° |
| C11 | C22 | H6 | H7 | 119.3° | 120.0° |
| C11 | C22 | C29 | H24 | 178.3° | 60.0° |
| C11 | C22 | C29 | H25 | 62.4° | 180.0° |
| C22 | C11 | C23 | H28 | 178.6° | 180.0° |
| C22 | C11 | C23 | H29 | 61.9° | 60.0° |
| C11 | C5 | C4 | O10 | 11.9° | 111.6° |
| C11 | C5 | C4 | N2 | 136.9° | 120.0° |
| C11 | C5 | C4 | H1 | 114.0° | 120.0° |
| C11 | C5 | N2 | H1 | 110.8° | 120.0° |
| C11 | C5 | C4 | N8 | 167.9° | 68.4° |
| C11 | C5 | N2 | C6 | 85.1° | 4.2° |
| C11 | C5 | N2 | C1 | 96.4° | 175.8° |
| C5 | C11 | C22 | H6 | 70.9° | 60.1° |
| C5 | C11 | C22 | H7 | 48.6° | 60.0° |
| C5 | C11 | C23 | H28 | 51.1° | 60.0° |
| C5 | C11 | C23 | H29 | 68.4° | 60.0° |
| O10 | C4 | C5 | N8 | 179.9° | 179.9° |
| O10 | C4 | C5 | N2 | 124.9° | 8.4° |
| O10 | C4 | N8 | C14 | 0.0° | 4.2° |
| O10 | C4 | C5 | H1 | 126.0° | 128.4° |
| O10 | C4 | N8 | H13 | 180.0° | 175.8° |
| C4 | C5 | N2 | H1 | 109.0° | 120.0° |
| C4 | C5 | N2 | C6 | 55.1° | 115.7° |
| C4 | C5 | N2 | C1 | 123.4° | 64.2° |
| C5 | C4 | N8 | C14 | 179.9° | 175.9° |
| C5 | C4 | N8 | H13 | 0.1° | 4.2° |
| C4 | C5 | C11 | H23 | 126.7° | 66.2° |
| N2 | C5 | C4 | N8 | 55.2° | 171.6° |
| C5 | N2 | C6 | C18 | 1.6° | 0.0° |
| C5 | N2 | C6 | C1 | 178.7° | 180.0° |
| C5 | N2 | C6 | C7 | 179.1° | 180.0° |
| C5 | N2 | C1 | C9 | 0.1° | 0.0° |
| C5 | N2 | C1 | N3 | 178.9° | 180.0° |
| N2 | C5 | C11 | H23 | 98.4° | 53.9° |
| C4 | N8 | C14 | H13 | 180.0° | 180.0° |
| C4 | N8 | C14 | C25 | 100.6° | 155.0° |
| C4 | N8 | C14 | C24 | 137.1° | 85.0° |
| N8 | C4 | C5 | H1 | 53.9° | 51.5° |
| C4 | N8 | C14 | H14 | 18.5° | 35.0° |
| C26 | C18 | C6 | H32 | 180.0° | 179.9° |
| C18 | C26 | C27 | H10 | 180.0° | 180.0° |
| C26 | C18 | C6 | N2 | 179.3° | 179.9° |
| C26 | C18 | C6 | C7 | 0.0° | 0.1° |
| C18 | C26 | C27 | C19 | 0.1° | 0.0° |
| C18 | C26 | C27 | H31 | 179.9° | 179.9° |
| C6 | C18 | C26 | C27 | 0.0° | 0.1° |
| C18 | C6 | N2 | C7 | 179.4° | 180.0° |
| C18 | C6 | N2 | C1 | 179.7° | 179.9° |
| C18 | C6 | C7 | C19 | 0.1° | 0.0° |
| C18 | C6 | C7 | N3 | 179.9° | 179.9° |
| C6 | C18 | C26 | H10 | 180.0° | 179.9° |
| C26 | C27 | C19 | H31 | 180.0° | 179.9° |
| C26 | C27 | C19 | C7 | 0.0° | 0.1° |
| C26 | C27 | C19 | H30 | 180.0° | 180.0° |
| C27 | C26 | C18 | H32 | 179.9° | 180.0° |
| C6 | N2 | C1 | C9 | 178.7° | 180.0° |
| C6 | N2 | C1 | N3 | 0.1° | 0.0° |
| N2 | C6 | C7 | C19 | 179.5° | 180.0° |
| N2 | C6 | C7 | N3 | 0.5° | 0.1° |
| C6 | N2 | C5 | H1 | 164.1° | 124.2° |
| N2 | C6 | C18 | H32 | 0.7° | 0.1° |
| C1 | N2 | C6 | C7 | 0.4° | 0.0° |
| N2 | C1 | C9 | C13 | 86.6° | 18.4° |
| N2 | C1 | C9 | N3 | 178.7° | 179.9° |
| N2 | C1 | C9 | C12 | 92.4° | 161.6° |
| N2 | C1 | N3 | C7 | 0.2° | 0.1° |
| C1 | N2 | C5 | H1 | 14.4° | 55.8° |
| C6 | C7 | N3 | C1 | 0.4° | 0.1° |
| C6 | C7 | C19 | C27 | 0.1° | 0.0° |
| C6 | C7 | C19 | N3 | 180.0° | 179.9° |
| C6 | C7 | C19 | H30 | 180.0° | 180.0° |
| C7 | C6 | C18 | H32 | 180.0° | 180.0° |
| C16 | C13 | C9 | H2 | 180.0° | 179.7° |
| C13 | C16 | C17 | H34 | 180.0° | 179.9° |
| C16 | C13 | C9 | C1 | 179.5° | 179.9° |
| C16 | C13 | C9 | C12 | 0.6° | 0.1° |
| C13 | C16 | C17 | C21 | 179.9° | 179.9° |
| C13 | C16 | C17 | C15 | 0.1° | 0.0° |
| C9 | C13 | C16 | C17 | 0.3° | 0.1° |
| C13 | C9 | C1 | C12 | 178.9° | 180.0° |
| C13 | C9 | C1 | N3 | 94.8° | 161.6° |
| C13 | C9 | C12 | C15 | 0.5° | 0.0° |
| C13 | C9 | C12 | H33 | 179.5° | 180.0° |
| C9 | C13 | C16 | H34 | 179.7° | 180.0° |
| C16 | C17 | C21 | O20 | 20.0° | 89.9° |
| C16 | C17 | C21 | C15 | 179.9° | 180.0° |
| C16 | C17 | C15 | C12 | 0.2° | 0.0° |
| C17 | C16 | C13 | H2 | 179.7° | 179.7° |
| C16 | C17 | C15 | H3 | 179.9° | 179.9° |
| C16 | C17 | C21 | H4 | 100.4° | 30.0° |
| C16 | C17 | C21 | H5 | 140.5° | 150.0° |
| O20 | C21 | C17 | H4 | 120.4° | 120.0° |
| O20 | C21 | C17 | H5 | 120.5° | 120.0° |
| O20 | C21 | C17 | C15 | 159.8° | 90.1° |
| O20 | C21 | H4 | H5 | 118.6° | 120.0° |
| N8 | C14 | C25 | C24 | 121.2° | 120.0° |
| N8 | C14 | C25 | H14 | 119.7° | 120.0° |
| N8 | C14 | C24 | H14 | 119.2° | 120.0° |
| N8 | C14 | C25 | C30 | 175.1° | 180.0° |
| N8 | C14 | C24 | C31 | 176.2° | 179.9° |
| N8 | C14 | C24 | H8 | 55.9° | 59.9° |
| N8 | C14 | C24 | H9 | 63.5° | 60.0° |
| N8 | C14 | C25 | H21 | 64.6° | 60.0° |
| N8 | C14 | C25 | H22 | 54.7° | 60.0° |
| C9 | C1 | N3 | C7 | 179.0° | 180.0° |
| C1 | C9 | C12 | C15 | 179.5° | 180.0° |
| C1 | C9 | C13 | H2 | 0.5° | 0.3° |
| C1 | C9 | C12 | H33 | 0.5° | 0.0° |
| N3 | C1 | C9 | C12 | 86.3° | 18.4° |
| C1 | N3 | C7 | C19 | 179.6° | 180.0° |
| C27 | C19 | C7 | H30 | 180.0° | 180.0° |
| C27 | C19 | C7 | N3 | 180.0° | 180.0° |
| C19 | C27 | C26 | H10 | 179.9° | 180.0° |
| C9 | C12 | C15 | C17 | 0.2° | 0.0° |
| C9 | C12 | C15 | H33 | 180.0° | 180.0° |
| C12 | C9 | C13 | H2 | 179.4° | 179.7° |
| C9 | C12 | C15 | H3 | 179.8° | 179.9° |
| C7 | C19 | C27 | H31 | 180.0° | 180.0° |
| N3 | C7 | C19 | H30 | 0.0° | 0.0° |
| C25 | C14 | C24 | H14 | 119.1° | 120.0° |
| C14 | C25 | C30 | H21 | 120.3° | 120.0° |
| C14 | C25 | C30 | H22 | 120.3° | 120.0° |
| C25 | C14 | C24 | C31 | 54.5° | 60.0° |
| C14 | C25 | C30 | C32 | 55.0° | 60.0° |
| C25 | C14 | C24 | H8 | 65.8° | 60.1° |
| C25 | C14 | C24 | H9 | 174.8° | 180.0° |
| C25 | C14 | N8 | H13 | 79.4° | 25.0° |
| C14 | C25 | C30 | H19 | 65.3° | 180.0° |
| C14 | C25 | C30 | H20 | 175.2° | 60.0° |
| C14 | C25 | H21 | H22 | 119.1° | 120.0° |
| C24 | C14 | C25 | C30 | 53.9° | 60.0° |
| C14 | C24 | C31 | H8 | 120.3° | 120.0° |
| C14 | C24 | C31 | H9 | 120.3° | 120.0° |
| C14 | C24 | C31 | C32 | 56.6° | 60.0° |
| C14 | C24 | H8 | H9 | 119.0° | 120.0° |
| C24 | C14 | N8 | H13 | 42.9° | 95.0° |
| C14 | C24 | C31 | H15 | 176.9° | 180.0° |
| C14 | C24 | C31 | H16 | 63.7° | 60.0° |
| C24 | C14 | C25 | H21 | 174.2° | 180.0° |
| C24 | C14 | C25 | H22 | 66.4° | 60.0° |
| C21 | C17 | C15 | C12 | 180.0° | 180.0° |
| C21 | C17 | C15 | H3 | 0.0° | 0.1° |
| C17 | C21 | H4 | H5 | 118.6° | 120.1° |
| C21 | C17 | C16 | H34 | 0.0° | 0.0° |
| C17 | C21 | O20 | H35 | 180.0° | 180.0° |
| C17 | C15 | C12 | H3 | 180.0° | 179.9° |
| C15 | C17 | C21 | H4 | 79.7° | 150.0° |
| C15 | C17 | C21 | H5 | 39.3° | 29.9° |
| C17 | C15 | C12 | H33 | 179.8° | 180.0° |
| C15 | C17 | C16 | H34 | 179.9° | 180.0° |
| C25 | C30 | C32 | H19 | 120.2° | 120.0° |
| C25 | C30 | C32 | H20 | 120.2° | 120.0° |
| C25 | C30 | C32 | C31 | 56.5° | 60.0° |
| C30 | C25 | C14 | H14 | 65.2° | 60.0° |
| C25 | C30 | C32 | H17 | 176.6° | 59.9° |
| C25 | C30 | C32 | H18 | 63.7° | 180.0° |
| C25 | C30 | H19 | H20 | 119.3° | 120.0° |
| C30 | C25 | H21 | H22 | 119.1° | 120.0° |
| C24 | C31 | C32 | C30 | 57.2° | 60.0° |
| C24 | C31 | C32 | H15 | 120.3° | 120.0° |
| C24 | C31 | C32 | H16 | 120.2° | 120.0° |
| C31 | C24 | H8 | H9 | 119.1° | 120.0° |
| C31 | C24 | C14 | H14 | 64.6° | 60.0° |
| C24 | C31 | H15 | H16 | 119.2° | 119.9° |
| C24 | C31 | C32 | H17 | 177.4° | 60.0° |
| C24 | C31 | C32 | H18 | 62.9° | 180.0° |
| C30 | C32 | C31 | H17 | 120.2° | 120.0° |
| C30 | C32 | C31 | H18 | 120.2° | 120.0° |
| C30 | C32 | C31 | H15 | 177.5° | 180.0° |
| C30 | C32 | C31 | H16 | 63.0° | 60.0° |
| C30 | C32 | H17 | H18 | 119.5° | 120.1° |
| C32 | C30 | H19 | H20 | 119.3° | 120.0° |
| C32 | C30 | C25 | H21 | 175.3° | 180.0° |
| C32 | C30 | C25 | H22 | 65.4° | 60.0° |
| C32 | C31 | C24 | H8 | 63.7° | 60.0° |
| C32 | C31 | C24 | H9 | 176.9° | 180.0° |
| C32 | C31 | H15 | H16 | 119.3° | 120.0° |
| C31 | C32 | H17 | H18 | 119.5° | 119.9° |
| C31 | C32 | C30 | H19 | 63.8° | 180.0° |
| C31 | C32 | C30 | H20 | 176.7° | 60.0° |
| H1 | C5 | C11 | H23 | 12.6° | 173.9° |
| H2 | C13 | C16 | H34 | 0.3° | 0.4° |
| H3 | C15 | C12 | H33 | 0.2° | 0.0° |
| H4 | C21 | O20 | H35 | 59.6° | 60.0° |
| H5 | C21 | O20 | H35 | 59.5° | 60.0° |
| H6 | C22 | C11 | H23 | 173.2° | 60.0° |
| H6 | C22 | C29 | H24 | 58.1° | 59.9° |
| H6 | C22 | C29 | H25 | 177.4° | 60.0° |
| H7 | C22 | C11 | H23 | 67.2° | 180.0° |
| H7 | C22 | C29 | H24 | 61.5° | 180.0° |
| H7 | C22 | C29 | H25 | 57.8° | 60.0° |
| H8 | C24 | C14 | H14 | 175.1° | 180.0° |
| H8 | C24 | C31 | H15 | 56.6° | 60.0° |
| H8 | C24 | C31 | H16 | 176.0° | 180.0° |
| H9 | C24 | C14 | H14 | 55.7° | 60.0° |
| H9 | C24 | C31 | H15 | 62.9° | 60.0° |
| H9 | C24 | C31 | H16 | 56.6° | 60.0° |
| H10 | C26 | C27 | H31 | 0.0° | 0.1° |
| H10 | C26 | C18 | H32 | 0.0° | 0.1° |
| H11 | C28 | C33 | H26 | 168.2° | 180.0° |
| H11 | C28 | C33 | H27 | 49.0° | 60.0° |
| H11 | C28 | C23 | H28 | 52.2° | 60.0° |
| H11 | C28 | C23 | H29 | 171.7° | NaN° |
| H12 | C28 | C33 | H26 | 48.9° | 60.0° |
| H12 | C28 | C33 | H27 | 70.3° | 60.0° |
| H12 | C28 | C23 | H28 | 67.1° | 60.0° |
| H12 | C28 | C23 | H29 | 52.4° | 60.0° |
| H13 | N8 | C14 | H14 | 161.5° | 145.0° |
| H14 | C14 | C25 | H21 | 55.0° | 60.0° |
| H14 | C14 | C25 | H22 | 174.4° | 180.0° |
| H15 | C31 | C32 | H17 | 62.4° | 60.0° |
| H15 | C31 | C32 | H18 | 57.3° | 60.0° |
| H16 | C31 | C32 | H17 | 57.2° | 180.0° |
| H16 | C31 | C32 | H18 | 176.8° | 60.0° |
| H17 | C32 | C30 | H19 | 56.4° | 60.0° |
| H17 | C32 | C30 | H20 | 63.2° | 180.0° |
| H18 | C32 | C30 | H19 | 176.0° | 60.0° |
| H18 | C32 | C30 | H20 | 56.5° | 60.0° |
| H19 | C30 | C25 | H21 | 55.0° | 60.0° |
| H19 | C30 | C25 | H22 | 174.4° | 60.0° |
| H20 | C30 | C25 | H21 | 64.5° | 60.0° |
| H20 | C30 | C25 | H22 | 54.8° | 180.0° |
| H23 | C11 | C23 | H28 | 64.5° | 60.0° |
| H23 | C11 | C23 | H29 | 175.9° | 180.0° |
| H24 | C29 | C33 | H26 | 51.6° | 180.0° |
| H24 | C29 | C33 | H27 | 67.6° | 60.0° |
| H25 | C29 | C33 | H26 | 170.9° | 60.0° |
| H25 | C29 | C33 | H27 | 51.7° | 60.0° |
| H30 | C19 | C27 | H31 | 0.0° | 0.0° |
