A1I9R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | sing | 1.51Å | 1.47Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| N4 | C16 | doub | 1.31Å | 1.29Å | Aromatic |
| N4 | N3 | sing | 1.29Å | 1.40Å | Aromatic |
| C16 | N5 | sing | 1.35Å | 1.38Å | Aromatic |
| S1 | C18 | sing | 1.71Å | 1.72Å | Aromatic |
| S1 | C19 | sing | 1.75Å | 1.73Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| N3 | C15 | doub | 1.30Å | 1.29Å | Aromatic |
| N5 | C15 | sing | 1.36Å | 1.36Å | Aromatic |
| N5 | C18 | sing | 1.40Å | 1.40Å | |
| C15 | C9 | sing | 1.51Å | 1.49Å | |
| C18 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.51Å | |
| C19 | C21 | doub | 1.33Å | 1.34Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C10 | C13 | sing | 1.51Å | 1.53Å | |
| C9 | N2 | sing | 1.46Å | 1.46Å | |
| C23 | C21 | sing | 1.45Å | 1.45Å | Aromatic |
| C23 | C8 | sing | 1.48Å | 1.45Å | |
| O3 | C13 | sing | 1.34Å | 1.35Å | |
| O3 | C14 | sing | 1.45Å | 1.46Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C13 | O2 | doub | 1.21Å | 1.21Å | |
| N2 | C8 | doub | 1.29Å | 1.29Å | |
| C8 | C7 | sing | 1.48Å | 1.47Å | |
| C7 | C6 | doub | 1.40Å | 1.37Å | Aromatic |
| C7 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | N1 | sing | 1.40Å | 1.41Å | |
| N1 | C3 | sing | 1.35Å | 1.35Å | |
| O1 | C3 | doub | 1.21Å | 1.22Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.45Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H29 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | N4 | 126.0° | 126.6° |
| C17 | C16 | N5 | 125.2° | 126.6° |
| C16 | C17 | H20 | 109.5° | 109.4° |
| C16 | C17 | H21 | 109.4° | 109.5° |
| C16 | C17 | H19 | 109.4° | 109.4° |
| C12 | C11 | C10 | 114.4° | 109.5° |
| C12 | C11 | H12 | 108.2° | 109.5° |
| C12 | C11 | H11 | 108.2° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | C12 | H13 | 109.5° | 109.4° |
| C16 | N4 | N3 | 108.8° | 110.0° |
| N4 | C16 | N5 | 108.8° | 106.7° |
| N4 | N3 | C15 | 105.8° | 109.7° |
| C16 | N5 | C15 | 105.3° | 106.5° |
| C16 | N5 | C18 | 130.8° | 129.0° |
| C18 | S1 | C19 | 91.1° | 92.7° |
| S1 | C18 | N5 | 121.1° | 125.0° |
| S1 | C18 | C23 | 113.1° | 111.1° |
| S1 | C19 | C20 | 121.0° | 124.7° |
| S1 | C19 | C21 | 112.3° | 110.6° |
| C11 | C10 | C9 | 112.4° | 109.5° |
| C11 | C10 | C13 | 108.7° | 109.5° |
| C10 | C11 | H12 | 108.2° | 109.4° |
| C10 | C11 | H11 | 108.2° | 109.4° |
| C11 | C10 | H10 | 109.2° | 109.5° |
| N3 | C15 | N5 | 111.3° | 107.1° |
| N3 | C15 | C9 | 129.2° | 127.9° |
| C15 | N5 | C18 | 123.9° | 124.5° |
| N5 | C15 | C9 | 119.1° | 125.0° |
| N5 | C18 | C23 | 125.7° | 123.9° |
| C15 | C9 | C10 | 114.9° | 109.6° |
| C15 | C9 | N2 | 106.2° | 109.1° |
| C15 | C9 | H3 | 108.2° | 109.5° |
| C18 | C23 | C21 | 109.1° | 111.8° |
| C18 | C23 | C8 | 121.9° | 124.7° |
| C20 | C19 | C21 | 126.6° | 124.7° |
| C19 | C20 | H23 | 109.5° | 109.5° |
| C19 | C20 | H24 | 109.5° | 109.5° |
| C19 | C20 | H22 | 109.5° | 109.5° |
| C19 | C21 | C23 | 114.2° | 113.8° |
| C19 | C21 | C22 | 121.2° | 123.0° |
| C9 | C10 | C13 | 108.5° | 109.5° |
| C10 | C9 | N2 | 111.1° | 109.5° |
| C9 | C10 | H10 | 108.9° | 109.5° |
| C10 | C9 | H3 | 107.7° | 109.5° |
| C10 | C13 | O3 | 110.8° | 120.0° |
| C10 | C13 | O2 | 123.2° | 120.0° |
| C13 | C10 | H10 | 109.0° | 109.4° |
| C9 | N2 | C8 | 117.2° | 122.5° |
| N2 | C9 | H3 | 108.6° | 109.6° |
| C21 | C23 | C8 | 128.8° | 123.5° |
| C23 | C21 | C22 | 124.6° | 123.2° |
| C23 | C8 | N2 | 126.1° | 125.9° |
| C23 | C8 | C7 | 122.3° | 117.0° |
| C13 | O3 | C14 | 115.5° | 117.0° |
| O3 | C13 | O2 | 125.9° | 120.0° |
| O3 | C14 | H17 | 109.5° | 109.5° |
| O3 | C14 | H18 | 109.5° | 109.5° |
| O3 | C14 | H16 | 109.5° | 109.5° |
| C21 | C22 | H26 | 109.5° | 109.5° |
| C21 | C22 | H27 | 109.5° | 109.5° |
| C21 | C22 | H25 | 109.4° | 109.4° |
| N2 | C8 | C7 | 110.8° | 117.1° |
| C8 | C7 | C6 | 120.4° | 120.0° |
| C8 | C7 | C24 | 121.0° | 120.0° |
| C6 | C7 | C24 | 118.4° | 119.9° |
| C7 | C6 | C5 | 121.8° | 119.9° |
| C7 | C6 | H8 | 119.1° | 120.0° |
| C7 | C24 | C25 | 120.9° | 119.9° |
| C7 | C24 | H28 | 119.5° | 120.1° |
| C6 | C5 | C4 | 119.1° | 120.0° |
| C6 | C5 | H7 | 120.4° | 120.0° |
| C5 | C6 | H8 | 119.1° | 120.1° |
| C24 | C25 | C4 | 120.0° | 120.1° |
| C25 | C24 | H28 | 119.6° | 120.0° |
| C24 | C25 | H29 | 120.0° | 120.0° |
| C5 | C4 | C25 | 119.8° | 120.1° |
| C5 | C4 | N1 | 121.8° | 119.9° |
| C4 | C5 | H7 | 120.5° | 120.0° |
| C25 | C4 | N1 | 118.4° | 120.0° |
| C4 | C25 | H29 | 120.0° | 120.0° |
| C4 | N1 | C3 | 128.7° | 120.0° |
| C4 | N1 | H6 | 115.7° | 120.0° |
| N1 | C3 | O1 | 124.4° | 120.0° |
| N1 | C3 | C2 | 113.6° | 120.0° |
| C3 | N1 | H6 | 115.7° | 120.0° |
| O1 | C3 | C2 | 122.0° | 120.0° |
| C3 | C2 | C1 | 110.2° | 109.5° |
| C3 | C2 | H5 | 109.3° | 109.5° |
| C3 | C2 | H4 | 109.3° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H32 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C1 | C2 | H5 | 109.3° | 109.5° |
| C1 | C2 | H4 | 109.3° | 109.5° |
| H17 | C14 | H18 | 109.4° | 109.4° |
| H17 | C14 | H16 | 109.4° | 109.4° |
| H18 | C14 | H16 | 109.5° | 109.4° |
| H12 | C11 | H11 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H14 | C12 | H13 | 109.4° | 109.5° |
| H15 | C12 | H13 | 109.5° | 109.5° |
| H2 | C1 | H32 | 109.5° | 109.4° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H32 | C1 | H1 | 109.5° | 109.5° |
| H5 | C2 | H4 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.5° |
| H20 | C17 | H19 | 109.5° | 109.4° |
| H21 | C17 | H19 | 109.5° | 109.5° |
| H23 | C20 | H24 | 109.5° | 109.5° |
| H23 | C20 | H22 | 109.4° | 109.5° |
| H24 | C20 | H22 | 109.5° | 109.4° |
| H26 | C22 | H27 | 109.5° | 109.5° |
| H26 | C22 | H25 | 109.5° | 109.4° |
| H27 | C22 | H25 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | N4 | N5 | 179.5° | 180.0° |
| C17 | C16 | N4 | N3 | 179.3° | 179.7° |
| C17 | C16 | N5 | C15 | 177.8° | 179.5° |
| C17 | C16 | N5 | C18 | 2.6° | 1.4° |
| C16 | C17 | H20 | H21 | 120.0° | 120.1° |
| C16 | C17 | H20 | H19 | 120.0° | 119.9° |
| C16 | C17 | H21 | H19 | 120.0° | 120.0° |
| C12 | C11 | C10 | H12 | 120.7° | 120.0° |
| C12 | C11 | C10 | H11 | 120.7° | 120.0° |
| C12 | C11 | C10 | C9 | 54.0° | 175.0° |
| C12 | C11 | C10 | C13 | 66.1° | 65.0° |
| C12 | C11 | H12 | H11 | 117.8° | 120.0° |
| C12 | C11 | C10 | H10 | 175.1° | 55.0° |
| C11 | C12 | H14 | H15 | 120.0° | 120.0° |
| C11 | C12 | H14 | H13 | 120.0° | 119.9° |
| C11 | C12 | H15 | H13 | 120.0° | 120.0° |
| C16 | N4 | N3 | C15 | 1.4° | 0.1° |
| N4 | C16 | N5 | C15 | 1.7° | 0.5° |
| N4 | C16 | N5 | C18 | 177.9° | 178.6° |
| N4 | C16 | C17 | H20 | 0.0° | 89.9° |
| N4 | C16 | C17 | H21 | 120.0° | 150.0° |
| N4 | C16 | C17 | H19 | 120.0° | 30.0° |
| N3 | N4 | C16 | N5 | 0.3° | 0.3° |
| N4 | N3 | C15 | N5 | 2.5° | 0.5° |
| N4 | N3 | C15 | C9 | 175.1° | 179.3° |
| C16 | N5 | C18 | S1 | 41.3° | 32.9° |
| C16 | N5 | C15 | N3 | 2.7° | 0.6° |
| C16 | N5 | C15 | C18 | 179.6° | 179.2° |
| C16 | N5 | C15 | C9 | 176.1° | 179.2° |
| C16 | N5 | C18 | C23 | 141.2° | 147.0° |
| N5 | C16 | C17 | H20 | 179.4° | 90.1° |
| N5 | C16 | C17 | H21 | 60.6° | 30.0° |
| N5 | C16 | C17 | H19 | 59.4° | 150.0° |
| S1 | C18 | N5 | C15 | 139.1° | 146.1° |
| S1 | C18 | N5 | C23 | 177.5° | 179.9° |
| C18 | S1 | C19 | C20 | 178.2° | 179.0° |
| C18 | S1 | C19 | C21 | 1.1° | 1.1° |
| S1 | C18 | C23 | C21 | 2.8° | 2.5° |
| S1 | C18 | C23 | C8 | 178.6° | 175.9° |
| C19 | S1 | C18 | N5 | 176.7° | 178.0° |
| C19 | S1 | C18 | C23 | 1.1° | 2.1° |
| S1 | C19 | C20 | C21 | 176.7° | 179.9° |
| S1 | C19 | C21 | C23 | 2.9° | 0.1° |
| S1 | C19 | C21 | C22 | 176.6° | 179.7° |
| S1 | C19 | C20 | H23 | 0.0° | 0.1° |
| S1 | C19 | C20 | H24 | 120.0° | 120.0° |
| S1 | C19 | C20 | H22 | 120.0° | 120.0° |
| C11 | C10 | C9 | C15 | 54.3° | 63.3° |
| C11 | C10 | C9 | C13 | 120.2° | 120.0° |
| C11 | C10 | C9 | H10 | 121.2° | 120.0° |
| C11 | C10 | C13 | H10 | 118.9° | 120.0° |
| C11 | C10 | C9 | N2 | 174.9° | 177.0° |
| C11 | C10 | C13 | O3 | 54.5° | 94.9° |
| C11 | C10 | C13 | O2 | 122.5° | 85.1° |
| C10 | C11 | H12 | H11 | 117.8° | 119.9° |
| C10 | C11 | C12 | H14 | 180.0° | 59.9° |
| C10 | C11 | C12 | H15 | 60.0° | 180.0° |
| C10 | C11 | C12 | H13 | 60.0° | 60.0° |
| C11 | C10 | C9 | H3 | 66.2° | 56.8° |
| N3 | C15 | N5 | C9 | 173.4° | 179.8° |
| N3 | C15 | N5 | C18 | 177.0° | 178.5° |
| N3 | C15 | C9 | C10 | 18.0° | 119.8° |
| N3 | C15 | C9 | N2 | 105.3° | 120.3° |
| N3 | C15 | C9 | H3 | 138.3° | 0.4° |
| C15 | N5 | C18 | C23 | 38.4° | 34.0° |
| N5 | C15 | C9 | C10 | 169.9° | 60.5° |
| N5 | C15 | C9 | N2 | 66.9° | 59.4° |
| N5 | C15 | C9 | H3 | 49.6° | 179.3° |
| C18 | N5 | C15 | C9 | 3.5° | 1.7° |
| N5 | C18 | C23 | C21 | 174.9° | 177.6° |
| N5 | C18 | C23 | C8 | 0.9° | 4.1° |
| C15 | C9 | C10 | N2 | 120.6° | 119.7° |
| C15 | C9 | C10 | H3 | 120.5° | 120.1° |
| C15 | C9 | C10 | C13 | 174.6° | 176.7° |
| C15 | C9 | N2 | H3 | 116.1° | 119.9° |
| C15 | C9 | N2 | C8 | 81.5° | 62.5° |
| C15 | C9 | C10 | H10 | 66.8° | 56.7° |
| C18 | C23 | C21 | C19 | 3.7° | 1.7° |
| C18 | C23 | C21 | C8 | 175.5° | 178.4° |
| C18 | C23 | C21 | C22 | 175.8° | 178.1° |
| C18 | C23 | C8 | N2 | 29.0° | 38.1° |
| C18 | C23 | C8 | C7 | 140.1° | 142.2° |
| C20 | C19 | C21 | C23 | 179.9° | 179.8° |
| C20 | C19 | C21 | C22 | 0.4° | 0.4° |
| C19 | C20 | H23 | H24 | 120.0° | 120.0° |
| C19 | C20 | H23 | H22 | 120.0° | 120.0° |
| C19 | C20 | H24 | H22 | 120.0° | 120.0° |
| C19 | C21 | C23 | C22 | 179.5° | 179.8° |
| C19 | C21 | C23 | C8 | 179.1° | 176.6° |
| C21 | C19 | C20 | H23 | 176.7° | 179.9° |
| C21 | C19 | C20 | H24 | 63.3° | 60.1° |
| C21 | C19 | C20 | H22 | 56.7° | 59.9° |
| C19 | C21 | C22 | H26 | 90.2° | 95.8° |
| C19 | C21 | C22 | H27 | 149.7° | 144.2° |
| C19 | C21 | C22 | H25 | 29.7° | 24.1° |
| C9 | C10 | C13 | H10 | 118.5° | 120.0° |
| C10 | C9 | N2 | H3 | 118.3° | 120.2° |
| C9 | C10 | C13 | O3 | 177.1° | 145.1° |
| C9 | C10 | C13 | O2 | 0.0° | 34.9° |
| C10 | C9 | N2 | C8 | 152.9° | 57.4° |
| C9 | C10 | C11 | H12 | 66.7° | 55.0° |
| C9 | C10 | C11 | H11 | 174.8° | 65.0° |
| C13 | C10 | C9 | N2 | 64.9° | 57.0° |
| C10 | C13 | O3 | O2 | 177.0° | 180.0° |
| C10 | C13 | O3 | C14 | 176.3° | 177.7° |
| C13 | C10 | C11 | H12 | 173.2° | 175.0° |
| C13 | C10 | C11 | H11 | 54.6° | 55.0° |
| C13 | C10 | C9 | H3 | 54.0° | 63.2° |
| C9 | N2 | C8 | C23 | 19.8° | 4.5° |
| C9 | N2 | C8 | C7 | 169.9° | 175.2° |
| N2 | C9 | C10 | H10 | 53.7° | 63.0° |
| C21 | C23 | C8 | N2 | 145.9° | 143.7° |
| C21 | C23 | C8 | C7 | 44.9° | 35.9° |
| C23 | C21 | C22 | H26 | 90.3° | 84.0° |
| C23 | C21 | C22 | H27 | 29.7° | 36.0° |
| C23 | C21 | C22 | H25 | 149.7° | 156.1° |
| C8 | C23 | C21 | C22 | 0.4° | 3.5° |
| C23 | C8 | N2 | C7 | 170.2° | 179.7° |
| C23 | C8 | C7 | C6 | 35.1° | 141.8° |
| C23 | C8 | C7 | C24 | 150.4° | 38.3° |
| C13 | O3 | C14 | H17 | 180.0° | 63.9° |
| C13 | O3 | C14 | H18 | 60.0° | 176.2° |
| C13 | O3 | C14 | H16 | 60.0° | 56.1° |
| O3 | C13 | C10 | H10 | 64.4° | 25.1° |
| C14 | O3 | C13 | O2 | 0.6° | 2.3° |
| O3 | C14 | H17 | H18 | 120.0° | 120.0° |
| O3 | C14 | H17 | H16 | 120.0° | 120.1° |
| O3 | C14 | H18 | H16 | 120.0° | 120.1° |
| C21 | C22 | H26 | H27 | 120.0° | 120.0° |
| C21 | C22 | H26 | H25 | 120.0° | 119.9° |
| C21 | C22 | H27 | H25 | 120.0° | 120.0° |
| O2 | C13 | C10 | H10 | 118.5° | 154.9° |
| N2 | C8 | C7 | C6 | 135.5° | 37.9° |
| N2 | C8 | C7 | C24 | 38.9° | 142.0° |
| C8 | N2 | C9 | H3 | 34.6° | 177.6° |
| C8 | C7 | C6 | C24 | 174.6° | 179.9° |
| C8 | C7 | C6 | C5 | 175.5° | 180.0° |
| C8 | C7 | C24 | C25 | 177.2° | 179.8° |
| C8 | C7 | C6 | H8 | 4.5° | 0.0° |
| C8 | C7 | C24 | H28 | 2.8° | 0.0° |
| C7 | C6 | C5 | H8 | 180.0° | 180.0° |
| C6 | C7 | C24 | C25 | 2.6° | 0.2° |
| C7 | C6 | C5 | C4 | 0.7° | 0.0° |
| C7 | C6 | C5 | H7 | 179.3° | 180.0° |
| C6 | C7 | C24 | H28 | 177.4° | 180.0° |
| C24 | C7 | C6 | C5 | 0.9° | 0.0° |
| C7 | C24 | C25 | H28 | 180.0° | 179.8° |
| C7 | C24 | C25 | C4 | 2.7° | 0.4° |
| C24 | C7 | C6 | H8 | 179.1° | 179.9° |
| C7 | C24 | C25 | H29 | 177.3° | 180.0° |
| C6 | C5 | C4 | H7 | 180.0° | 179.9° |
| C6 | C5 | C4 | C25 | 0.6° | 0.2° |
| C6 | C5 | C4 | N1 | 179.5° | 180.0° |
| C24 | C25 | C4 | C5 | 1.0° | 0.4° |
| C24 | C25 | C4 | H29 | 180.0° | 179.5° |
| C24 | C25 | C4 | N1 | 177.9° | 179.8° |
| C5 | C4 | C25 | N1 | 178.9° | 179.8° |
| C5 | C4 | N1 | C3 | 10.9° | 148.2° |
| C4 | C5 | C6 | H8 | 179.3° | 179.9° |
| C5 | C4 | N1 | H6 | 169.1° | 31.8° |
| C5 | C4 | C25 | H29 | 179.0° | 180.0° |
| C25 | C4 | N1 | C3 | 170.2° | 32.0° |
| C25 | C4 | C5 | H7 | 179.4° | 179.7° |
| C25 | C4 | N1 | H6 | 9.8° | 148.0° |
| C4 | C25 | C24 | H28 | 177.3° | 179.8° |
| C4 | N1 | C3 | H6 | 180.0° | 180.0° |
| C4 | N1 | C3 | O1 | 9.6° | 5.2° |
| C4 | N1 | C3 | C2 | 172.0° | 174.9° |
| N1 | C4 | C5 | H7 | 0.5° | 0.1° |
| N1 | C4 | C25 | H29 | 2.1° | 0.2° |
| N1 | C3 | O1 | C2 | 178.3° | 179.9° |
| N1 | C3 | C2 | C1 | 92.1° | 180.0° |
| N1 | C3 | C2 | H5 | 28.0° | 60.0° |
| N1 | C3 | C2 | H4 | 147.8° | 60.1° |
| O1 | C3 | C2 | C1 | 89.4° | 0.1° |
| O1 | C3 | N1 | H6 | 170.4° | 174.8° |
| O1 | C3 | C2 | H5 | 150.5° | 119.9° |
| O1 | C3 | C2 | H4 | 30.7° | 120.0° |
| C3 | C2 | C1 | H5 | 120.1° | 120.0° |
| C3 | C2 | C1 | H4 | 120.1° | 119.9° |
| C2 | C3 | N1 | H6 | 8.1° | 5.1° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | H32 | 60.0° | 60.0° |
| C3 | C2 | C1 | H1 | 60.0° | 60.0° |
| C3 | C2 | H5 | H4 | 119.7° | 120.0° |
| C2 | C1 | H2 | H32 | 120.0° | 120.0° |
| C2 | C1 | H2 | H1 | 120.0° | 120.0° |
| C2 | C1 | H32 | H1 | 120.0° | 120.0° |
| C1 | C2 | H5 | H4 | 119.7° | 120.0° |
| H17 | C14 | H18 | H16 | 120.0° | 119.9° |
| H7 | C5 | C6 | H8 | 0.7° | 0.0° |
| H12 | C11 | C10 | H10 | 54.4° | 65.1° |
| H12 | C11 | C12 | H14 | 59.3° | 60.0° |
| H12 | C11 | C12 | H15 | 60.7° | 60.0° |
| H12 | C11 | C12 | H13 | 179.3° | 180.0° |
| H11 | C11 | C10 | H10 | 64.2° | 175.0° |
| H11 | C11 | C12 | H14 | 59.3° | 179.9° |
| H11 | C11 | C12 | H15 | 179.3° | 60.0° |
| H11 | C11 | C12 | H13 | 60.7° | 60.0° |
| H10 | C10 | C9 | H3 | 172.6° | 176.9° |
| H14 | C12 | H15 | H13 | 119.9° | 120.0° |
| H2 | C1 | H32 | H1 | 120.0° | 120.0° |
| H2 | C1 | C2 | H5 | 59.9° | 60.0° |
| H2 | C1 | C2 | H4 | 59.9° | 60.0° |
| H32 | C1 | C2 | H5 | 179.9° | 180.0° |
| H32 | C1 | C2 | H4 | 60.1° | 60.0° |
| H1 | C1 | C2 | H5 | 60.1° | 60.0° |
| H1 | C1 | C2 | H4 | 179.9° | 180.0° |
| H20 | C17 | H21 | H19 | 120.0° | 120.0° |
| H23 | C20 | H24 | H22 | 120.0° | 120.0° |
| H26 | C22 | H27 | H25 | 120.0° | 120.0° |
| H28 | C24 | C25 | H29 | 2.7° | 0.2° |
