A1CHO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.39Å | 1.38Å | |
| C2 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C2 | N36 | sing | 1.32Å | 1.33Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.37Å | Aromatic |
| N36 | C35 | doub | 1.34Å | 1.34Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.42Å | Aromatic |
| C35 | C5 | sing | 1.42Å | 1.43Å | Aromatic |
| C35 | C34 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C34 | C11 | doub | 1.36Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.36Å | 1.39Å | Aromatic |
| C11 | C7 | sing | 1.39Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | O10 | sing | 1.43Å | 1.43Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C16 | C14 | sing | 1.55Å | 1.54Å | |
| C16 | C17 | sing | 1.55Å | 1.55Å | |
| C14 | C31 | sing | 1.54Å | 1.54Å | |
| C21 | C20 | doub | 1.34Å | 1.34Å | Aromatic |
| C21 | C22 | sing | 1.46Å | 1.46Å | Aromatic |
| C20 | N19 | sing | 1.37Å | 1.37Å | Aromatic |
| N19 | C17 | sing | 1.46Å | 1.47Å | |
| N19 | C27 | sing | 1.37Å | 1.36Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C27 | sing | 1.41Å | 1.42Å | Aromatic |
| C17 | C28 | sing | 1.54Å | 1.55Å | |
| C23 | N24 | sing | 1.32Å | 1.33Å | Aromatic |
| C27 | N26 | doub | 1.33Å | 1.33Å | Aromatic |
| C31 | C28 | sing | 1.54Å | 1.55Å | |
| C31 | O33 | sing | 1.43Å | 1.43Å | |
| C28 | O30 | sing | 1.43Å | 1.43Å | |
| N24 | C25 | doub | 1.32Å | 1.33Å | Aromatic |
| N26 | C25 | sing | 1.32Å | 1.33Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| C34 | H14 | sing | 1.08Å | 1.08Å | |
| N1 | H15 | sing | 0.97Å | 1.00Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| O10 | H19 | sing | 0.97Å | 0.95Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| O30 | H26 | sing | 0.97Å | 0.95Å | |
| O33 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | C3 | 118.6° | 119.2° |
| N1 | C2 | N36 | 119.7° | 119.2° |
| C2 | N1 | H15 | 109.5° | 119.9° |
| C2 | N1 | H16 | 109.4° | 120.0° |
| C3 | C2 | N36 | 121.6° | 121.5° |
| C2 | C3 | C4 | 119.5° | 119.9° |
| C2 | C3 | H1 | 120.2° | 120.1° |
| C2 | N36 | C35 | 121.1° | 121.3° |
| C3 | C4 | C5 | 119.1° | 118.3° |
| C4 | C3 | H1 | 120.2° | 120.1° |
| C3 | C4 | H2 | 120.5° | 120.9° |
| N36 | C35 | C5 | 120.2° | 119.9° |
| N36 | C35 | C34 | 121.4° | 121.0° |
| C4 | C5 | C35 | 118.4° | 119.1° |
| C4 | C5 | C6 | 121.6° | 121.3° |
| C5 | C4 | H2 | 120.4° | 120.8° |
| C5 | C35 | C34 | 118.3° | 119.1° |
| C35 | C5 | C6 | 120.0° | 119.6° |
| C35 | C34 | C11 | 120.8° | 119.8° |
| C35 | C34 | H14 | 119.6° | 120.1° |
| C5 | C6 | C7 | 120.9° | 119.6° |
| C5 | C6 | H3 | 119.6° | 120.2° |
| C34 | C11 | C7 | 121.6° | 121.0° |
| C34 | C11 | C12 | 115.8° | 119.5° |
| C11 | C34 | H14 | 119.6° | 120.1° |
| C6 | C7 | C11 | 118.4° | 120.9° |
| C6 | C7 | C8 | 121.9° | 119.5° |
| C7 | C6 | H3 | 119.5° | 120.2° |
| C7 | C11 | C12 | 122.6° | 119.5° |
| C11 | C7 | C8 | 119.7° | 119.6° |
| C11 | C12 | C13 | 107.4° | 109.5° |
| C11 | C12 | H6 | 110.0° | 109.5° |
| C11 | C12 | H7 | 110.0° | 109.5° |
| C7 | C8 | C9 | 115.9° | 109.5° |
| C7 | C8 | H4 | 107.8° | 109.5° |
| C7 | C8 | H5 | 107.8° | 109.5° |
| C12 | C13 | C14 | 109.8° | 109.5° |
| C13 | C12 | H6 | 110.0° | 109.5° |
| C13 | C12 | H7 | 110.0° | 109.5° |
| C12 | C13 | H20 | 109.4° | 109.5° |
| C12 | C13 | H21 | 109.4° | 109.5° |
| C8 | C9 | O10 | 110.1° | 109.5° |
| C9 | C8 | H4 | 107.8° | 109.5° |
| C9 | C8 | H5 | 107.8° | 109.5° |
| C8 | C9 | H17 | 109.3° | 109.4° |
| C8 | C9 | H18 | 109.3° | 109.5° |
| O10 | C9 | H17 | 109.3° | 109.5° |
| O10 | C9 | H18 | 109.3° | 109.5° |
| C9 | O10 | H19 | 109.5° | 114.0° |
| C13 | C14 | C16 | 111.4° | 110.5° |
| C13 | C14 | C31 | 108.2° | 110.5° |
| C14 | C13 | H20 | 109.4° | 109.4° |
| C14 | C13 | H21 | 109.4° | 109.5° |
| C13 | C14 | H22 | 110.3° | 110.4° |
| C14 | C16 | C17 | 103.7° | 102.8° |
| C16 | C14 | C31 | 106.7° | 104.2° |
| C14 | C16 | H8 | 110.9° | 110.8° |
| C14 | C16 | H9 | 110.9° | 110.7° |
| C16 | C14 | H22 | 110.1° | 110.5° |
| C16 | C17 | N19 | 111.6° | 110.5° |
| C16 | C17 | C28 | 101.4° | 104.2° |
| C17 | C16 | H8 | 110.9° | 110.8° |
| C17 | C16 | H9 | 110.9° | 110.8° |
| C16 | C17 | H10 | 110.0° | 110.5° |
| C14 | C31 | C28 | 105.6° | 106.6° |
| C14 | C31 | O33 | 110.8° | 110.1° |
| C14 | C31 | H13 | 109.1° | 110.1° |
| C31 | C14 | H22 | 110.1° | 110.6° |
| C20 | C21 | C22 | 106.5° | 106.8° |
| C21 | C20 | N19 | 110.7° | 109.9° |
| C20 | C21 | H11 | 126.7° | 126.6° |
| C21 | C20 | H23 | 124.6° | 125.0° |
| C21 | C22 | C23 | 134.9° | 135.2° |
| C21 | C22 | C27 | 106.1° | 106.1° |
| C22 | C21 | H11 | 126.8° | 126.6° |
| C20 | N19 | C17 | 125.9° | 125.0° |
| C20 | N19 | C27 | 109.4° | 110.1° |
| N19 | C20 | H23 | 124.6° | 125.0° |
| C17 | N19 | C27 | 124.7° | 124.9° |
| N19 | C17 | C28 | 112.1° | 110.5° |
| N19 | C17 | H10 | 111.2° | 110.5° |
| N19 | C27 | C22 | 107.2° | 107.0° |
| N19 | C27 | N26 | 134.2° | 134.4° |
| C23 | C22 | C27 | 119.0° | 118.6° |
| C22 | C23 | N24 | 118.2° | 118.5° |
| C22 | C23 | H12 | 120.9° | 120.7° |
| C22 | C27 | N26 | 118.5° | 118.5° |
| C17 | C28 | C31 | 102.3° | 106.6° |
| C17 | C28 | O30 | 112.5° | 110.1° |
| C28 | C17 | H10 | 110.1° | 110.5° |
| C17 | C28 | H25 | 109.3° | 110.0° |
| C23 | N24 | C25 | 121.3° | 121.2° |
| N24 | C23 | H12 | 120.9° | 120.8° |
| C27 | N26 | C25 | 120.3° | 120.5° |
| C28 | C31 | O33 | 111.7° | 110.0° |
| C31 | C28 | O30 | 112.1° | 110.1° |
| C28 | C31 | H13 | 108.9° | 110.0° |
| C31 | C28 | H25 | 109.3° | 110.0° |
| O33 | C31 | H13 | 110.6° | 110.0° |
| C31 | O33 | H27 | 109.5° | 114.0° |
| O30 | C28 | H25 | 111.0° | 110.0° |
| C28 | O30 | H26 | 109.5° | 114.0° |
| N24 | C25 | N26 | 122.7° | 122.6° |
| N24 | C25 | H24 | 118.6° | 118.7° |
| N26 | C25 | H24 | 118.6° | 118.7° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.4° |
| H8 | C16 | H9 | 109.5° | 110.8° |
| H15 | N1 | H16 | 109.5° | 120.0° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | N36 | 179.8° | 179.8° |
| N1 | C2 | C3 | C4 | 179.4° | 179.7° |
| N1 | C2 | N36 | C35 | 178.9° | 179.7° |
| N1 | C2 | C3 | H1 | 0.6° | 0.2° |
| C2 | N1 | H15 | H16 | 120.0° | 180.0° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C3 | C2 | N36 | C35 | 1.2° | 0.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H2 | 179.9° | 180.0° |
| C3 | C2 | N1 | H15 | 179.8° | 0.0° |
| C3 | C2 | N1 | H16 | 59.8° | 180.0° |
| N36 | C2 | C3 | C4 | 0.7° | 0.0° |
| C2 | N36 | C35 | C5 | 0.9° | 0.0° |
| C2 | N36 | C35 | C34 | 179.0° | 180.0° |
| N36 | C2 | C3 | H1 | 179.3° | 180.0° |
| N36 | C2 | N1 | H15 | 0.0° | 179.7° |
| N36 | C2 | N1 | H16 | 120.0° | 0.2° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | C35 | 0.4° | 0.0° |
| C3 | C4 | C5 | C6 | 179.3° | 180.0° |
| N36 | C35 | C5 | C4 | 0.1° | 0.0° |
| N36 | C35 | C5 | C34 | 179.8° | 179.9° |
| N36 | C35 | C5 | C6 | 179.8° | 179.9° |
| N36 | C35 | C34 | C11 | 179.6° | 180.0° |
| N36 | C35 | C34 | H14 | 0.4° | 0.1° |
| C4 | C5 | C35 | C6 | 179.7° | 180.0° |
| C4 | C5 | C35 | C34 | 179.8° | 180.0° |
| C4 | C5 | C6 | C7 | 179.1° | 180.0° |
| C5 | C4 | C3 | H1 | 179.9° | 180.0° |
| C4 | C5 | C6 | H3 | 0.9° | 0.0° |
| C5 | C35 | C34 | C11 | 0.3° | 0.0° |
| C35 | C5 | C6 | C7 | 0.6° | 0.0° |
| C35 | C5 | C4 | H2 | 179.6° | 180.0° |
| C35 | C5 | C6 | H3 | 179.4° | 180.0° |
| C5 | C35 | C34 | H14 | 179.7° | 180.0° |
| C34 | C35 | C5 | C6 | 0.1° | 0.0° |
| C35 | C34 | C11 | H14 | 180.0° | 179.9° |
| C35 | C34 | C11 | C7 | 0.1° | 0.0° |
| C35 | C34 | C11 | C12 | 179.8° | 180.0° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | C11 | 1.0° | 0.1° |
| C5 | C6 | C7 | C8 | 179.2° | 180.0° |
| C6 | C5 | C4 | H2 | 0.7° | 0.0° |
| C34 | C11 | C7 | C6 | 0.8° | 0.1° |
| C34 | C11 | C7 | C12 | 180.0° | 180.0° |
| C34 | C11 | C7 | C8 | 179.4° | 180.0° |
| C34 | C11 | C12 | C13 | 91.7° | 95.0° |
| C34 | C11 | C12 | H6 | 148.7° | 25.1° |
| C34 | C11 | C12 | H7 | 28.0° | 145.0° |
| C6 | C7 | C11 | C8 | 179.8° | 179.9° |
| C6 | C7 | C11 | C12 | 179.2° | 179.9° |
| C6 | C7 | C8 | C9 | 6.2° | 95.0° |
| C6 | C7 | C8 | H4 | 127.2° | 25.0° |
| C6 | C7 | C8 | H5 | 114.7° | 145.0° |
| C7 | C11 | C12 | C13 | 88.4° | 85.0° |
| C11 | C7 | C8 | C9 | 173.5° | 85.1° |
| C11 | C7 | C6 | H3 | 179.0° | 180.0° |
| C11 | C7 | C8 | H4 | 52.6° | 154.9° |
| C11 | C7 | C8 | H5 | 65.5° | 34.9° |
| C7 | C11 | C12 | H6 | 31.3° | 154.9° |
| C7 | C11 | C12 | H7 | 152.0° | 35.0° |
| C7 | C11 | C34 | H14 | 179.9° | 179.9° |
| C12 | C11 | C7 | C8 | 0.6° | 0.0° |
| C11 | C12 | C13 | H6 | 119.7° | 120.0° |
| C11 | C12 | C13 | H7 | 119.7° | 120.1° |
| C11 | C12 | C13 | C14 | 159.4° | 180.0° |
| C11 | C12 | H6 | H7 | 120.9° | 120.0° |
| C12 | C11 | C34 | H14 | 0.2° | 0.1° |
| C11 | C12 | C13 | H20 | 80.6° | 60.0° |
| C11 | C12 | C13 | H21 | 39.3° | 60.0° |
| C7 | C8 | C9 | H4 | 121.0° | 120.0° |
| C7 | C8 | C9 | H5 | 120.9° | 120.0° |
| C7 | C8 | C9 | O10 | 171.4° | 180.0° |
| C8 | C7 | C6 | H3 | 0.8° | 0.1° |
| C7 | C8 | H4 | H5 | 117.1° | 120.0° |
| C7 | C8 | C9 | H17 | 68.5° | 60.0° |
| C7 | C8 | C9 | H18 | 51.3° | 60.0° |
| C12 | C13 | C14 | H20 | 120.1° | 120.0° |
| C12 | C13 | C14 | H21 | 120.1° | 120.0° |
| C12 | C13 | C14 | C16 | 64.6° | 175.0° |
| C12 | C13 | C14 | C31 | 178.5° | 70.2° |
| C13 | C12 | H6 | H7 | 121.0° | 120.0° |
| C12 | C13 | H20 | H21 | 119.8° | 120.0° |
| C12 | C13 | C14 | H22 | 58.0° | 52.4° |
| C8 | C9 | O10 | H17 | 120.1° | 120.0° |
| C8 | C9 | O10 | H18 | 120.1° | 120.0° |
| C9 | C8 | H4 | H5 | 117.1° | 120.0° |
| C8 | C9 | H17 | H18 | 119.7° | 120.0° |
| C8 | C9 | O10 | H19 | 180.0° | 180.0° |
| O10 | C9 | C8 | H4 | 50.5° | 60.0° |
| O10 | C9 | C8 | H5 | 67.6° | 60.0° |
| O10 | C9 | H17 | H18 | 119.7° | 120.0° |
| C13 | C14 | C16 | C31 | 117.8° | 118.6° |
| C13 | C14 | C16 | H22 | 122.7° | 122.6° |
| C13 | C14 | C16 | C17 | 139.7° | 156.6° |
| C13 | C14 | C31 | H22 | 120.6° | 122.6° |
| C13 | C14 | C31 | C28 | 114.2° | 142.3° |
| C13 | C14 | C31 | O33 | 124.7° | 98.5° |
| C14 | C13 | C12 | H6 | 39.7° | 60.0° |
| C14 | C13 | C12 | H7 | 81.0° | 59.9° |
| C13 | C14 | C16 | H8 | 101.2° | 38.3° |
| C13 | C14 | C16 | H9 | 20.7° | 85.1° |
| C13 | C14 | C31 | H13 | 2.7° | 23.0° |
| C14 | C13 | H20 | H21 | 119.8° | 120.0° |
| C14 | C16 | C17 | H8 | 119.1° | 118.4° |
| C14 | C16 | C17 | H9 | 119.1° | 118.3° |
| C16 | C14 | C31 | H22 | 119.4° | 118.8° |
| C14 | C16 | C17 | N19 | 160.4° | 156.6° |
| C14 | C16 | C17 | C28 | 40.9° | 37.9° |
| C16 | C14 | C31 | C28 | 5.7° | 23.6° |
| C16 | C14 | C31 | O33 | 115.4° | 142.9° |
| C14 | C16 | H8 | H9 | 122.7° | 123.3° |
| C14 | C16 | C17 | H10 | 75.6° | 80.7° |
| C16 | C14 | C31 | H13 | 122.7° | 95.7° |
| C16 | C14 | C13 | H20 | 55.5° | 55.0° |
| C16 | C14 | C13 | H21 | 175.3° | 65.0° |
| C17 | C16 | C14 | C31 | 21.9° | 38.0° |
| C16 | C17 | N19 | C20 | 53.1° | 60.0° |
| C16 | C17 | N19 | C28 | 112.9° | 114.8° |
| C16 | C17 | N19 | H10 | 123.3° | 122.6° |
| C16 | C17 | N19 | C27 | 126.8° | 120.0° |
| C16 | C17 | C28 | H10 | 116.4° | 118.7° |
| C16 | C17 | C28 | C31 | 44.2° | 23.6° |
| C16 | C17 | C28 | O30 | 164.7° | 142.9° |
| C17 | C16 | H8 | H9 | 122.7° | 123.3° |
| C17 | C16 | C14 | H22 | 97.6° | 80.8° |
| C16 | C17 | C28 | H25 | 71.5° | 95.7° |
| C14 | C31 | C28 | C17 | 31.1° | 0.0° |
| C14 | C31 | C28 | O33 | 120.5° | 119.3° |
| C14 | C31 | C28 | H13 | 117.1° | 119.4° |
| C14 | C31 | O33 | H13 | 121.1° | 121.5° |
| C14 | C31 | C28 | O30 | 151.8° | 119.3° |
| C31 | C14 | C16 | H8 | 141.0° | 80.4° |
| C31 | C14 | C16 | H9 | 97.1° | 156.3° |
| C31 | C14 | C13 | H20 | 61.5° | 169.8° |
| C31 | C14 | C13 | H21 | 58.4° | 49.8° |
| C14 | C31 | C28 | H25 | 84.7° | 119.3° |
| C14 | C31 | O33 | H27 | 180.0° | 178.6° |
| C20 | C21 | C22 | H11 | 180.0° | 179.7° |
| C21 | C20 | N19 | H23 | 180.0° | 179.9° |
| C21 | C20 | N19 | C17 | 180.0° | 180.0° |
| C21 | C20 | N19 | C27 | 0.1° | 0.0° |
| C20 | C21 | C22 | C23 | 179.9° | 180.0° |
| C20 | C21 | C22 | C27 | 0.0° | 0.0° |
| C22 | C21 | C20 | N19 | 0.1° | 0.0° |
| C21 | C22 | C27 | N19 | 0.0° | 0.0° |
| C21 | C22 | C23 | C27 | 179.9° | 180.0° |
| C21 | C22 | C23 | N24 | 179.8° | 180.0° |
| C21 | C22 | C27 | N26 | 179.9° | 180.0° |
| C21 | C22 | C23 | H12 | 0.3° | 0.0° |
| C22 | C21 | C20 | H23 | 180.0° | 179.9° |
| C20 | N19 | C17 | C27 | 179.9° | 180.0° |
| C20 | N19 | C27 | C22 | 0.0° | 0.0° |
| C20 | N19 | C17 | C28 | 59.8° | 54.8° |
| C20 | N19 | C27 | N26 | 179.9° | 180.0° |
| C20 | N19 | C17 | H10 | 176.4° | 177.4° |
| N19 | C20 | C21 | H11 | 179.9° | 179.7° |
| C17 | N19 | C27 | C22 | 180.0° | 180.0° |
| N19 | C17 | C28 | H10 | 124.4° | 122.6° |
| C17 | N19 | C27 | N26 | 0.2° | 0.0° |
| N19 | C17 | C28 | C31 | 163.4° | 142.3° |
| N19 | C17 | C28 | O30 | 76.1° | 98.4° |
| N19 | C17 | C16 | H8 | 80.5° | 38.3° |
| N19 | C17 | C16 | H9 | 41.4° | 85.1° |
| C17 | N19 | C20 | H23 | 0.0° | 0.1° |
| N19 | C17 | C28 | H25 | 47.6° | 23.0° |
| N19 | C27 | C22 | C23 | 179.9° | 180.0° |
| N19 | C27 | C22 | N26 | 179.8° | 180.0° |
| C27 | N19 | C17 | C28 | 120.3° | 125.2° |
| N19 | C27 | N26 | C25 | 179.7° | 180.0° |
| C27 | N19 | C17 | H10 | 3.5° | 2.6° |
| C27 | N19 | C20 | H23 | 180.0° | 179.9° |
| C22 | C23 | N24 | H12 | 180.0° | 180.0° |
| C23 | C22 | C27 | N26 | 0.0° | 0.0° |
| C22 | C23 | N24 | C25 | 0.3° | 0.0° |
| C23 | C22 | C21 | H11 | 0.1° | 0.3° |
| C27 | C22 | C23 | N24 | 0.4° | 0.0° |
| C22 | C27 | N26 | C25 | 0.5° | 0.0° |
| C27 | C22 | C21 | H11 | 180.0° | 179.7° |
| C27 | C22 | C23 | H12 | 179.6° | 180.0° |
| C17 | C28 | C31 | O30 | 120.7° | 119.3° |
| C17 | C28 | C31 | H25 | 115.8° | 119.3° |
| C17 | C28 | C31 | O33 | 89.4° | 119.3° |
| C17 | C28 | O30 | H25 | 122.8° | 121.4° |
| C28 | C17 | C16 | H8 | 160.0° | 80.4° |
| C28 | C17 | C16 | H9 | 78.1° | 156.2° |
| C17 | C28 | C31 | H13 | 148.1° | 119.4° |
| C17 | C28 | O30 | H26 | 180.0° | 180.0° |
| C23 | N24 | C25 | N26 | 0.2° | 0.0° |
| C23 | N24 | C25 | H24 | 179.9° | 180.0° |
| C27 | N26 | C25 | N24 | 0.6° | 0.0° |
| C27 | N26 | C25 | H24 | 179.4° | 180.0° |
| C28 | C31 | O33 | H13 | 121.5° | 121.3° |
| C31 | C28 | O30 | H25 | 122.5° | 121.4° |
| C31 | C28 | C17 | H10 | 72.2° | 95.1° |
| C28 | C31 | C14 | H22 | 125.1° | 95.1° |
| C31 | C28 | O30 | H26 | 65.3° | 62.8° |
| C28 | C31 | O33 | H27 | 62.6° | 61.5° |
| O33 | C31 | C28 | O30 | 31.3° | 0.0° |
| O33 | C31 | C14 | H22 | 4.1° | 24.1° |
| O33 | C31 | C28 | H25 | 154.8° | 121.4° |
| O30 | C28 | C17 | H10 | 48.3° | 24.2° |
| O30 | C28 | C31 | H13 | 91.1° | 121.3° |
| N24 | C25 | N26 | H24 | 180.0° | 180.0° |
| C25 | N24 | C23 | H12 | 179.6° | 180.0° |
| H1 | C3 | C4 | H2 | 0.1° | 0.1° |
| H4 | C8 | C9 | H17 | 170.6° | 180.0° |
| H4 | C8 | C9 | H18 | 69.6° | 60.0° |
| H5 | C8 | C9 | H17 | 52.5° | 60.0° |
| H5 | C8 | C9 | H18 | 172.3° | 180.0° |
| H6 | C12 | C13 | H20 | 159.8° | 180.0° |
| H6 | C12 | C13 | H21 | 80.3° | 60.0° |
| H7 | C12 | C13 | H20 | 39.1° | 60.0° |
| H7 | C12 | C13 | H21 | 159.0° | 179.9° |
| H8 | C16 | C17 | H10 | 43.5° | 160.9° |
| H8 | C16 | C14 | H22 | 21.5° | 160.8° |
| H9 | C16 | C17 | H10 | 165.4° | 37.6° |
| H9 | C16 | C14 | H22 | 143.4° | 37.5° |
| H10 | C17 | C28 | H25 | 172.0° | 145.6° |
| H11 | C21 | C20 | H23 | 0.0° | 0.3° |
| H13 | C31 | C14 | H22 | 117.9° | 145.5° |
| H13 | C31 | C28 | H25 | 32.3° | 0.1° |
| H13 | C31 | O33 | H27 | 58.9° | 59.9° |
| H17 | C9 | O10 | H19 | 59.9° | 60.1° |
| H18 | C9 | O10 | H19 | 59.9° | 59.9° |
| H20 | C13 | C14 | H22 | 178.0° | 67.6° |
| H21 | C13 | C14 | H22 | 62.1° | 172.4° |
| H25 | C28 | O30 | H26 | 57.2° | 58.6° |
