A1BIZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | N8 | sing | 1.39Å | 1.47Å | |
| N3 | C4 | doub | 1.32Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.36Å | Aromatic |
| C6 | O7 | sing | 1.36Å | 1.41Å | |
| O7 | C9 | sing | 1.43Å | 1.41Å | |
| N8 | C13 | sing | 1.35Å | 1.47Å | |
| C9 | F10 | sing | 1.40Å | 1.37Å | |
| C9 | F11 | sing | 1.40Å | 1.37Å | |
| C9 | F12 | sing | 1.40Å | 1.37Å | |
| C13 | C14 | sing | 1.48Å | 1.54Å | |
| C13 | O15 | doub | 1.22Å | 1.19Å | |
| C14 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C20 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C21 | sing | 1.48Å | 1.55Å | |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.46Å | 1.47Å | Aromatic |
| C21 | N25 | doub | 1.31Å | 1.33Å | Aromatic |
| C22 | C23 | doub | 1.41Å | 1.42Å | Aromatic |
| C22 | C26 | sing | 1.41Å | 1.39Å | Aromatic |
| C23 | N24 | sing | 1.36Å | 1.29Å | Aromatic |
| C23 | N29 | sing | 1.33Å | 1.33Å | Aromatic |
| N24 | N25 | sing | 1.40Å | 1.31Å | Aromatic |
| N24 | C30 | sing | 1.47Å | 1.46Å | |
| C26 | N27 | doub | 1.33Å | 1.33Å | Aromatic |
| C26 | N31 | sing | 1.38Å | 1.46Å | |
| N27 | C28 | sing | 1.32Å | 1.34Å | Aromatic |
| C28 | N29 | doub | 1.31Å | 1.34Å | Aromatic |
| C30 | C32 | sing | 1.53Å | 1.53Å | |
| C30 | C36 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C34 | N35 | sing | 1.47Å | 1.47Å | |
| N35 | C36 | sing | 1.47Å | 1.47Å | |
| N35 | C37 | sing | 1.35Å | 1.48Å | |
| C37 | C38 | sing | 1.51Å | 1.55Å | |
| C37 | O39 | doub | 1.21Å | 1.19Å | |
| C38 | C40 | sing | 1.53Å | 1.54Å | |
| C38 | C41 | sing | 1.53Å | 1.54Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C41 | H41B | sing | 1.09Å | 1.10Å | |
| N31 | H31B | sing | 0.97Å | 1.00Å | |
| N31 | H31A | sing | 0.97Å | 1.00Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.8° | 119.0° |
| C1 | C2 | N3 | 119.7° | 120.7° |
| C1 | C2 | N8 | 122.7° | 119.7° |
| C2 | C1 | H1 | 120.1° | 120.5° |
| C1 | C6 | C5 | 120.0° | 118.4° |
| C1 | C6 | O7 | 120.7° | 120.8° |
| C6 | C1 | H1 | 120.1° | 120.5° |
| N3 | C2 | N8 | 117.7° | 119.6° |
| C2 | N3 | C4 | 120.7° | 121.8° |
| C2 | N8 | C13 | 124.3° | 120.0° |
| C2 | N8 | H8 | 117.9° | 119.9° |
| N3 | C4 | C5 | 119.8° | 120.9° |
| N3 | C4 | H4 | 120.1° | 119.5° |
| C4 | C5 | C6 | 120.0° | 119.2° |
| C5 | C4 | H4 | 120.1° | 119.6° |
| C4 | C5 | H5 | 120.0° | 120.4° |
| C5 | C6 | O7 | 119.3° | 120.8° |
| C6 | C5 | H5 | 120.0° | 120.4° |
| C6 | O7 | C9 | 114.3° | 117.0° |
| O7 | C9 | F10 | 110.1° | 109.5° |
| O7 | C9 | F11 | 109.4° | 109.5° |
| O7 | C9 | F12 | 109.8° | 109.5° |
| N8 | C13 | C14 | 117.7° | 120.0° |
| N8 | C13 | O15 | 122.6° | 120.0° |
| C13 | N8 | H8 | 117.8° | 120.0° |
| F10 | C9 | F11 | 108.9° | 109.4° |
| F10 | C9 | F12 | 109.4° | 109.4° |
| F11 | C9 | F12 | 109.3° | 109.5° |
| C14 | C13 | O15 | 119.7° | 120.0° |
| C13 | C14 | C16 | 121.7° | 120.0° |
| C13 | C14 | C20 | 119.3° | 120.0° |
| C16 | C14 | C20 | 119.0° | 120.0° |
| C14 | C16 | C17 | 120.0° | 120.0° |
| C14 | C16 | H16 | 120.0° | 120.1° |
| C14 | C20 | C19 | 120.3° | 120.0° |
| C14 | C20 | H20 | 119.9° | 120.0° |
| C16 | C17 | C18 | 120.2° | 120.1° |
| C16 | C17 | H17 | 119.9° | 120.0° |
| C17 | C16 | H16 | 120.0° | 120.0° |
| C17 | C18 | C19 | 120.4° | 120.0° |
| C17 | C18 | C21 | 120.7° | 120.0° |
| C18 | C17 | H17 | 119.9° | 119.9° |
| C19 | C18 | C21 | 118.9° | 120.0° |
| C18 | C19 | C20 | 120.1° | 120.1° |
| C18 | C19 | H19 | 119.9° | 120.0° |
| C18 | C21 | C22 | 127.2° | 126.4° |
| C18 | C21 | N25 | 125.2° | 126.4° |
| C19 | C20 | H20 | 119.9° | 120.0° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C22 | C21 | N25 | 107.6° | 107.3° |
| C21 | C22 | C23 | 103.6° | 106.5° |
| C21 | C22 | C26 | 141.2° | 134.9° |
| C21 | N25 | N24 | 107.0° | 109.9° |
| C23 | C22 | C26 | 115.2° | 118.5° |
| C22 | C23 | N24 | 105.7° | 106.9° |
| C22 | C23 | N29 | 126.1° | 118.7° |
| C22 | C26 | N27 | 120.4° | 118.4° |
| C22 | C26 | N31 | 119.9° | 120.8° |
| N24 | C23 | N29 | 128.1° | 134.4° |
| C23 | N24 | N25 | 116.0° | 109.4° |
| C23 | N24 | C30 | 122.7° | 125.3° |
| C23 | N29 | C28 | 111.4° | 120.7° |
| N25 | N24 | C30 | 121.3° | 125.3° |
| N24 | C30 | C32 | 109.2° | 109.5° |
| N24 | C30 | C36 | 111.0° | 109.5° |
| N24 | C30 | H30 | 109.9° | 109.5° |
| N27 | C26 | N31 | 119.7° | 120.8° |
| C26 | N27 | C28 | 118.4° | 121.0° |
| C26 | N31 | H31B | 109.5° | 120.0° |
| C26 | N31 | H31A | 109.5° | 120.0° |
| N27 | C28 | N29 | 128.5° | 122.7° |
| N27 | C28 | H28 | 115.8° | 118.6° |
| N29 | C28 | H28 | 115.8° | 118.7° |
| C32 | C30 | C36 | 108.7° | 109.3° |
| C30 | C32 | C33 | 112.9° | 109.5° |
| C32 | C30 | H30 | 109.0° | 109.5° |
| C30 | C32 | H32A | 108.6° | 109.5° |
| C30 | C32 | H32B | 108.6° | 109.4° |
| C30 | C36 | N35 | 110.1° | 108.8° |
| C36 | C30 | H30 | 109.0° | 109.5° |
| C30 | C36 | H36A | 109.3° | 109.6° |
| C30 | C36 | H36B | 109.3° | 109.6° |
| C32 | C33 | C34 | 113.1° | 109.3° |
| C33 | C32 | H32A | 108.6° | 109.4° |
| C33 | C32 | H32B | 108.6° | 109.4° |
| C32 | C33 | H33B | 108.5° | 109.5° |
| C32 | C33 | H33A | 108.6° | 109.5° |
| C33 | C34 | N35 | 113.4° | 108.7° |
| C34 | C33 | H33B | 108.6° | 109.5° |
| C34 | C33 | H33A | 108.6° | 109.5° |
| C33 | C34 | H34B | 108.5° | 109.6° |
| C33 | C34 | H34A | 108.5° | 109.6° |
| C34 | N35 | C36 | 120.3° | 118.8° |
| C34 | N35 | C37 | 120.3° | 120.6° |
| N35 | C34 | H34B | 108.5° | 109.5° |
| N35 | C34 | H34A | 108.5° | 109.6° |
| C36 | N35 | C37 | 119.5° | 120.6° |
| N35 | C36 | H36A | 109.3° | 109.6° |
| N35 | C36 | H36B | 109.3° | 109.7° |
| N35 | C37 | C38 | 121.5° | 120.0° |
| N35 | C37 | O39 | 119.6° | 120.0° |
| C38 | C37 | O39 | 118.8° | 120.0° |
| C37 | C38 | C40 | 116.1° | 117.5° |
| C37 | C38 | C41 | 115.3° | 117.5° |
| C37 | C38 | H38 | 117.5° | 115.5° |
| C40 | C38 | C41 | 59.8° | 60.0° |
| C38 | C40 | C41 | 60.1° | 60.0° |
| C40 | C38 | H38 | 117.7° | 117.5° |
| C38 | C40 | H40A | 120.0° | 117.5° |
| C38 | C40 | H40B | 120.0° | 117.5° |
| C38 | C41 | C40 | 60.0° | 60.0° |
| C41 | C38 | H38 | 117.7° | 117.5° |
| C38 | C41 | H41A | 120.0° | 117.5° |
| C38 | C41 | H41B | 120.0° | 117.5° |
| C41 | C40 | H40A | 120.0° | 117.5° |
| C41 | C40 | H40B | 120.0° | 117.5° |
| C40 | C41 | H41A | 120.0° | 117.5° |
| C40 | C41 | H41B | 120.0° | 117.5° |
| H32A | C32 | H32B | 109.5° | 109.5° |
| H33B | C33 | H33A | 109.5° | 109.5° |
| H34B | C34 | H34A | 109.5° | 109.7° |
| H36A | C36 | H36B | 109.5° | 109.5° |
| H40A | C40 | H40B | 109.5° | 115.6° |
| H41A | C41 | H41B | 109.5° | 115.6° |
| H31B | N31 | H31A | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C1 | C2 | N3 | N8 | 179.4° | 179.9° |
| C1 | C2 | N3 | C4 | 0.4° | 0.0° |
| C2 | C1 | C6 | C5 | 0.4° | 0.1° |
| C2 | C1 | C6 | O7 | 179.7° | 180.0° |
| C1 | C2 | N8 | C13 | 6.3° | 174.3° |
| C1 | C2 | N8 | H8 | 173.7° | 5.7° |
| C6 | C1 | C2 | N3 | 0.5° | 0.1° |
| C6 | C1 | C2 | N8 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | O7 | 179.9° | 180.0° |
| C1 | C6 | O7 | C9 | 95.2° | 180.0° |
| C1 | C6 | C5 | H5 | 179.8° | 180.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.1° |
| N3 | C2 | N8 | C13 | 174.3° | 5.6° |
| C2 | N3 | C4 | H4 | 179.8° | 179.9° |
| N3 | C2 | C1 | H1 | 179.5° | 180.0° |
| N3 | C2 | N8 | H8 | 5.7° | 174.3° |
| N8 | C2 | N3 | C4 | 179.8° | 179.9° |
| C2 | N8 | C13 | H8 | 180.0° | 180.0° |
| C2 | N8 | C13 | C14 | 179.6° | 175.2° |
| C2 | N8 | C13 | O15 | 0.2° | 4.7° |
| N8 | C2 | C1 | H1 | 0.1° | 0.1° |
| N3 | C4 | C5 | H4 | 180.0° | 179.9° |
| N3 | C4 | C5 | C6 | 0.1° | 0.1° |
| N3 | C4 | C5 | H5 | 179.8° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | O7 | 179.9° | 180.0° |
| C5 | C6 | O7 | C9 | 84.9° | 0.0° |
| C6 | C5 | C4 | H4 | 179.9° | 179.9° |
| C5 | C6 | C1 | H1 | 179.6° | 180.0° |
| C6 | O7 | C9 | F10 | 62.5° | 60.0° |
| C6 | O7 | C9 | F11 | 177.9° | 60.0° |
| C6 | O7 | C9 | F12 | 58.0° | 180.0° |
| O7 | C6 | C5 | H5 | 0.1° | 0.0° |
| O7 | C6 | C1 | H1 | 0.2° | 0.1° |
| O7 | C9 | F10 | F11 | 120.0° | 120.0° |
| O7 | C9 | F10 | F12 | 120.7° | 120.0° |
| O7 | C9 | F11 | F12 | 120.2° | 120.0° |
| N8 | C13 | C14 | O15 | 179.5° | 179.9° |
| N8 | C13 | C14 | C16 | 147.9° | 180.0° |
| N8 | C13 | C14 | C20 | 32.2° | 0.5° |
| F10 | C9 | F11 | F12 | 119.4° | 119.9° |
| C13 | C14 | C16 | C20 | 179.9° | 179.5° |
| C13 | C14 | C16 | C17 | 179.8° | 179.9° |
| C13 | C14 | C20 | C19 | 179.9° | 179.6° |
| C13 | C14 | C20 | H20 | 0.1° | 0.5° |
| C13 | C14 | C16 | H16 | 0.1° | 0.1° |
| C14 | C13 | N8 | H8 | 0.4° | 4.8° |
| O15 | C13 | C14 | C16 | 32.6° | 0.1° |
| O15 | C13 | C14 | C20 | 147.3° | 179.4° |
| O15 | C13 | N8 | H8 | 179.8° | 175.3° |
| C14 | C16 | C17 | H16 | 180.0° | 180.0° |
| C14 | C16 | C17 | C18 | 0.3° | 0.0° |
| C16 | C14 | C20 | C19 | 0.0° | 0.8° |
| C14 | C16 | C17 | H17 | 179.7° | 179.8° |
| C16 | C14 | C20 | H20 | 180.0° | 180.0° |
| C20 | C14 | C16 | C17 | 0.1° | 0.6° |
| C14 | C20 | C19 | C18 | 0.2° | 0.6° |
| C14 | C20 | C19 | H20 | 180.0° | 179.1° |
| C20 | C14 | C16 | H16 | 179.9° | 179.4° |
| C14 | C20 | C19 | H19 | 179.8° | 179.5° |
| C16 | C17 | C18 | H17 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 0.5° | 0.2° |
| C16 | C17 | C18 | C21 | 180.0° | 179.8° |
| C17 | C18 | C19 | C21 | 179.6° | 180.0° |
| C17 | C18 | C19 | C20 | 0.4° | 0.0° |
| C17 | C18 | C21 | C22 | 61.1° | 46.4° |
| C17 | C18 | C21 | N25 | 120.0° | 133.3° |
| C18 | C17 | C16 | H16 | 179.7° | 180.0° |
| C17 | C18 | C19 | H19 | 179.6° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C19 | C18 | C21 | C22 | 119.3° | 133.6° |
| C19 | C18 | C21 | N25 | 59.6° | 46.7° |
| C19 | C18 | C17 | H17 | 179.5° | 180.0° |
| C18 | C19 | C20 | H20 | 179.9° | 179.7° |
| C21 | C18 | C19 | C20 | 180.0° | 180.0° |
| C18 | C21 | C22 | N25 | 179.1° | 179.7° |
| C18 | C21 | C22 | C23 | 179.6° | 179.7° |
| C18 | C21 | C22 | C26 | 1.0° | 0.3° |
| C18 | C21 | N25 | N24 | 179.4° | 179.7° |
| C21 | C18 | C17 | H17 | 0.0° | 0.0° |
| C21 | C18 | C19 | H19 | 0.0° | 0.0° |
| C21 | C22 | C23 | C26 | 179.6° | 180.0° |
| C21 | C22 | C23 | N24 | 0.5° | 0.0° |
| C21 | C22 | C23 | N29 | 179.8° | 179.9° |
| C22 | C21 | N25 | N24 | 0.4° | 0.0° |
| C21 | C22 | C26 | N27 | 179.5° | 180.0° |
| C21 | C22 | C26 | N31 | 0.6° | 0.0° |
| N25 | C21 | C22 | C23 | 0.5° | 0.0° |
| N25 | C21 | C22 | C26 | 180.0° | 180.0° |
| C21 | N25 | N24 | C23 | 0.0° | 0.0° |
| C21 | N25 | N24 | C30 | 179.5° | 180.0° |
| C22 | C23 | N24 | N29 | 179.8° | 179.9° |
| C22 | C23 | N24 | N25 | 0.3° | 0.0° |
| C22 | C23 | N24 | C30 | 179.9° | 179.9° |
| C23 | C22 | C26 | N27 | 0.1° | 0.0° |
| C23 | C22 | C26 | N31 | 180.0° | 180.0° |
| C22 | C23 | N29 | C28 | 0.1° | 0.1° |
| C26 | C22 | C23 | N24 | 179.9° | 180.0° |
| C26 | C22 | C23 | N29 | 0.1° | 0.1° |
| C22 | C26 | N27 | N31 | 179.9° | 180.0° |
| C22 | C26 | N27 | C28 | 0.0° | 0.0° |
| C22 | C26 | N31 | H31B | 179.9° | 8.4° |
| C22 | C26 | N31 | H31A | 60.0° | 171.5° |
| C23 | N24 | N25 | C30 | 179.6° | 180.0° |
| N24 | C23 | N29 | C28 | 179.8° | 180.0° |
| C23 | N24 | C30 | C32 | 140.6° | 120.0° |
| C23 | N24 | C30 | C36 | 99.5° | 120.2° |
| C23 | N24 | C30 | H30 | 21.1° | 0.1° |
| N29 | C23 | N24 | N25 | 179.9° | 179.9° |
| N29 | C23 | N24 | C30 | 0.4° | 0.0° |
| C23 | N29 | C28 | N27 | 0.1° | 0.1° |
| C23 | N29 | C28 | H28 | 179.9° | 180.0° |
| N25 | N24 | C30 | C32 | 38.9° | 59.9° |
| N25 | N24 | C30 | C36 | 80.9° | 59.9° |
| N25 | N24 | C30 | H30 | 158.4° | 179.9° |
| N24 | C30 | C32 | C36 | 121.2° | 119.9° |
| N24 | C30 | C32 | H30 | 120.0° | 120.1° |
| N24 | C30 | C36 | H30 | 121.1° | 120.1° |
| N24 | C30 | C32 | C33 | 179.2° | 178.7° |
| N24 | C30 | C36 | N35 | 178.2° | 174.6° |
| N24 | C30 | C32 | H32A | 58.7° | 61.3° |
| N24 | C30 | C32 | H32B | 60.3° | 58.7° |
| N24 | C30 | C36 | H36A | 61.7° | 65.6° |
| N24 | C30 | C36 | H36B | 58.1° | 54.7° |
| C26 | N27 | C28 | N29 | 0.0° | 0.0° |
| C26 | N27 | C28 | H28 | 179.9° | 179.9° |
| N27 | C26 | N31 | H31B | 0.0° | 171.6° |
| N27 | C26 | N31 | H31A | 120.0° | 8.5° |
| N31 | C26 | N27 | C28 | 180.0° | 180.0° |
| C26 | N31 | H31B | H31A | 120.0° | 179.9° |
| N27 | C28 | N29 | H28 | 180.0° | 179.9° |
| C32 | C30 | C36 | H30 | 118.7° | 120.0° |
| C30 | C32 | C33 | H32A | 120.5° | 120.1° |
| C30 | C32 | C33 | H32B | 120.5° | 120.0° |
| C30 | C32 | C33 | C34 | 47.0° | 61.4° |
| C32 | C30 | C36 | N35 | 58.0° | 54.6° |
| C30 | C32 | H32A | H32B | 118.4° | 120.0° |
| C30 | C32 | C33 | H33B | 167.6° | 178.7° |
| C30 | C32 | C33 | H33A | 73.5° | 58.6° |
| C32 | C30 | C36 | H36A | 178.1° | 174.5° |
| C32 | C30 | C36 | H36B | 62.1° | 65.3° |
| C36 | C30 | C32 | C33 | 58.0° | 61.4° |
| C30 | C36 | N35 | C34 | 52.1° | 53.6° |
| C30 | C36 | N35 | H36A | 120.1° | 119.8° |
| C30 | C36 | N35 | H36B | 120.1° | 119.8° |
| C30 | C36 | N35 | C37 | 127.0° | 126.4° |
| C36 | C30 | C32 | H32A | 62.6° | 58.6° |
| C36 | C30 | C32 | H32B | 178.5° | 178.6° |
| C30 | C36 | H36A | H36B | 119.7° | 120.3° |
| C32 | C33 | C34 | H33B | 120.5° | 119.9° |
| C32 | C33 | C34 | H33A | 120.6° | 120.0° |
| C32 | C33 | C34 | N35 | 35.9° | 54.6° |
| C33 | C32 | C30 | H30 | 60.8° | 58.6° |
| C33 | C32 | H32A | H32B | 118.4° | 119.9° |
| C32 | C33 | H33B | H33A | 118.4° | 120.1° |
| C32 | C33 | C34 | H34B | 84.6° | 65.1° |
| C32 | C33 | C34 | H34A | 156.5° | 174.4° |
| C33 | C34 | N35 | H34B | 120.6° | 119.8° |
| C33 | C34 | N35 | H34A | 120.6° | 119.8° |
| C33 | C34 | N35 | C36 | 40.5° | 53.6° |
| C33 | C34 | N35 | C37 | 138.6° | 126.4° |
| C34 | C33 | C32 | H32A | 73.5° | 58.6° |
| C34 | C33 | C32 | H32B | 167.6° | 178.6° |
| C34 | C33 | H33B | H33A | 118.4° | 120.0° |
| C33 | C34 | H34B | H34A | 118.2° | 120.4° |
| C34 | N35 | C36 | C37 | 179.1° | 180.0° |
| C34 | N35 | C37 | C38 | 0.7° | 0.0° |
| C34 | N35 | C37 | O39 | 179.5° | 180.0° |
| N35 | C34 | C33 | H33B | 156.4° | 174.5° |
| N35 | C34 | C33 | H33A | 84.6° | 65.4° |
| N35 | C34 | H34B | H34A | 118.3° | 120.4° |
| C34 | N35 | C36 | H36A | 172.2° | 173.4° |
| C34 | N35 | C36 | H36B | 68.0° | 66.3° |
| C36 | N35 | C37 | C38 | 179.8° | 180.0° |
| C36 | N35 | C37 | O39 | 0.4° | 0.0° |
| N35 | C36 | C30 | H30 | 60.7° | 65.3° |
| C36 | N35 | C34 | H34B | 80.0° | 66.2° |
| C36 | N35 | C34 | H34A | 161.1° | 173.4° |
| N35 | C36 | H36A | H36B | 119.7° | 120.4° |
| N35 | C37 | C38 | O39 | 179.8° | 180.0° |
| N35 | C37 | C38 | C40 | 156.3° | 180.0° |
| N35 | C37 | C38 | C41 | 89.1° | 111.4° |
| C37 | N35 | C34 | H34B | 100.9° | 113.8° |
| C37 | N35 | C34 | H34A | 18.0° | 6.6° |
| C37 | N35 | C36 | H36A | 6.9° | 6.6° |
| C37 | N35 | C36 | H36B | 112.9° | 113.7° |
| N35 | C37 | C38 | H38 | 56.6° | 34.3° |
| C37 | C38 | C40 | C41 | 105.4° | 107.5° |
| C37 | C38 | C40 | H38 | 147.0° | 145.0° |
| C37 | C38 | C41 | H38 | 145.6° | 145.0° |
| C37 | C38 | C40 | H40A | 4.1° | 0.0° |
| C37 | C38 | C40 | H40B | 145.1° | 145.0° |
| C37 | C38 | C41 | H41A | 143.8° | 145.1° |
| C37 | C38 | C41 | H41B | 2.7° | 0.0° |
| O39 | C37 | C38 | C40 | 23.9° | 0.0° |
| O39 | C37 | C38 | C41 | 91.1° | 68.6° |
| O39 | C37 | C38 | H38 | 123.2° | 145.7° |
| C40 | C38 | C41 | H38 | 107.6° | 107.5° |
| C38 | C40 | C41 | H40A | 109.5° | 107.4° |
| C38 | C40 | C41 | H40B | 109.5° | 107.5° |
| C38 | C40 | H40A | H40B | 144.7° | 145.6° |
| C40 | C38 | C41 | H41A | 109.5° | 107.4° |
| C40 | C38 | C41 | H41B | 109.5° | 107.5° |
| C38 | C41 | H41A | H41B | 144.7° | 145.7° |
| C41 | C40 | H40A | H40B | 144.6° | 145.8° |
| C40 | C41 | H41A | H41B | 144.7° | 145.7° |
| H4 | C4 | C5 | H5 | 0.1° | 0.1° |
| H17 | C17 | C16 | H16 | 0.3° | 0.2° |
| H20 | C20 | C19 | H19 | 0.2° | 0.3° |
| H30 | C30 | C32 | H32A | 178.7° | 178.6° |
| H30 | C30 | C32 | H32B | 59.8° | 61.4° |
| H30 | C30 | C36 | H36A | 59.4° | 54.5° |
| H30 | C30 | C36 | H36B | 179.2° | 174.8° |
| H32A | C32 | C33 | H33B | 47.0° | 61.3° |
| H32A | C32 | C33 | H33A | 166.0° | 178.6° |
| H32B | C32 | C33 | H33B | 71.9° | 58.7° |
| H32B | C32 | C33 | H33A | 47.0° | 61.4° |
| H33B | C33 | C34 | H34B | 35.9° | 54.8° |
| H33B | C33 | C34 | H34A | 83.0° | 65.7° |
| H33A | C33 | C34 | H34B | 154.8° | 174.9° |
| H33A | C33 | C34 | H34A | 35.9° | 54.4° |
| H38 | C38 | C40 | H40A | 142.9° | 145.0° |
| H38 | C38 | C40 | H40B | 1.9° | 0.0° |
| H38 | C38 | C41 | H41A | 1.9° | 0.1° |
| H38 | C38 | C41 | H41B | 142.9° | 145.0° |
| H40A | C40 | C41 | H41A | 141.0° | 145.0° |
| H40A | C40 | C41 | H41B | 0.1° | 0.1° |
| H40B | C40 | C41 | H41A | 0.1° | 0.1° |
| H40B | C40 | C41 | H41B | 141.0° | 145.0° |
