QPY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C10 | doub | 1.32Å | 1.37Å | Aromatic |
| N6 | C11 | sing | 1.33Å | 1.32Å | Aromatic |
| N7 | C11 | sing | 1.38Å | 1.45Å | |
| C10 | N5 | sing | 1.32Å | 1.36Å | Aromatic |
| C11 | C8 | doub | 1.40Å | 1.34Å | Aromatic |
| N5 | C9 | doub | 1.33Å | 1.32Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.37Å | Aromatic |
| C8 | N4 | sing | 1.36Å | 1.50Å | Aromatic |
| C9 | N3 | sing | 1.37Å | 1.29Å | Aromatic |
| N4 | C7 | doub | 1.30Å | 1.38Å | Aromatic |
| N3 | C7 | sing | 1.36Å | 1.31Å | Aromatic |
| N3 | C6 | sing | 1.46Å | 1.46Å | |
| C19 | C20 | doub | 1.38Å | 1.32Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.53Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.53Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.32Å | Aromatic |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| O5 | C14 | doub | 1.22Å | 1.18Å | |
| C17 | C16 | sing | 1.38Å | 1.53Å | Aromatic |
| C21 | C16 | doub | 1.38Å | 1.32Å | Aromatic |
| O4 | C14 | sing | 1.35Å | 1.41Å | |
| O4 | C15 | sing | 1.45Å | 1.40Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | N9 | sing | 1.35Å | 1.47Å | |
| C5 | N2 | sing | 1.46Å | 1.45Å | |
| N2 | C4 | sing | 1.35Å | 1.45Å | |
| N9 | C22 | sing | 1.47Å | 1.49Å | |
| N9 | C13 | sing | 1.47Å | 1.47Å | |
| C22 | C23 | sing | 1.55Å | 1.54Å | |
| C4 | O3 | doub | 1.22Å | 1.18Å | |
| C4 | C3 | sing | 1.48Å | 1.53Å | |
| N8 | C3 | sing | 1.35Å | 1.40Å | |
| N8 | C12 | doub | 1.30Å | 1.39Å | |
| C3 | C2 | doub | 1.39Å | 1.40Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C13 | C24 | sing | 1.54Å | 1.50Å | |
| C12 | N1 | sing | 1.35Å | 1.44Å | |
| C2 | O2 | sing | 1.36Å | 1.40Å | |
| C2 | C1 | sing | 1.47Å | 1.45Å | |
| C23 | C24 | sing | 1.55Å | 1.50Å | |
| N1 | C1 | sing | 1.35Å | 1.37Å | |
| C1 | O1 | doub | 1.22Å | 1.40Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.08Å | 1.08Å | |
| N1 | H21 | sing | 0.97Å | 1.00Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| N7 | H23 | sing | 0.97Å | 1.00Å | |
| N7 | H24 | sing | 0.97Å | 1.00Å | |
| O2 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N6 | C11 | 121.0° | 121.2° |
| N6 | C10 | N5 | 120.7° | 122.5° |
| N6 | C10 | H4 | 119.7° | 118.8° |
| N6 | C11 | N7 | 120.8° | 120.8° |
| N6 | C11 | C8 | 119.0° | 118.5° |
| N7 | C11 | C8 | 120.2° | 120.8° |
| C11 | N7 | H23 | 109.5° | 120.0° |
| C11 | N7 | H24 | 109.4° | 120.0° |
| C10 | N5 | C9 | 117.4° | 120.6° |
| N5 | C10 | H4 | 119.7° | 118.7° |
| C11 | C8 | C9 | 119.8° | 118.2° |
| C11 | C8 | N4 | 131.7° | 134.7° |
| N5 | C9 | C8 | 122.3° | 119.0° |
| N5 | C9 | N3 | 131.5° | 135.0° |
| C9 | C8 | N4 | 108.5° | 107.1° |
| C8 | C9 | N3 | 106.2° | 106.0° |
| C8 | N4 | C7 | 100.1° | 109.5° |
| C9 | N3 | C7 | 114.3° | 107.4° |
| C9 | N3 | C6 | 124.5° | 126.3° |
| N4 | C7 | N3 | 110.8° | 110.0° |
| N4 | C7 | H20 | 124.6° | 125.0° |
| C7 | N3 | C6 | 121.1° | 126.3° |
| N3 | C7 | H20 | 124.6° | 125.0° |
| N3 | C6 | C5 | 109.8° | 109.4° |
| N3 | C6 | H18 | 109.4° | 109.5° |
| N3 | C6 | H19 | 109.4° | 109.5° |
| C20 | C19 | C18 | 119.5° | 120.0° |
| C19 | C20 | C21 | 120.3° | 120.0° |
| C20 | C19 | H7 | 120.2° | 120.0° |
| C19 | C20 | H8 | 119.8° | 120.0° |
| C19 | C18 | C17 | 120.1° | 120.0° |
| C19 | C18 | H6 | 119.9° | 120.0° |
| C18 | C19 | H7 | 120.2° | 120.0° |
| C20 | C21 | C16 | 120.3° | 120.0° |
| C21 | C20 | H8 | 119.9° | 120.0° |
| C20 | C21 | H9 | 119.8° | 120.0° |
| C18 | C17 | C16 | 120.2° | 120.0° |
| C18 | C17 | H3 | 119.9° | 120.0° |
| C17 | C18 | H6 | 119.9° | 120.0° |
| C6 | C5 | N2 | 113.6° | 109.5° |
| C6 | C5 | H16 | 108.4° | 109.5° |
| C6 | C5 | H17 | 108.5° | 109.5° |
| C5 | C6 | H18 | 109.4° | 109.5° |
| C5 | C6 | H19 | 109.4° | 109.5° |
| O5 | C14 | O4 | 117.4° | 120.0° |
| O5 | C14 | N9 | 117.1° | 120.0° |
| C17 | C16 | C21 | 119.5° | 120.0° |
| C17 | C16 | C15 | 121.5° | 120.0° |
| C16 | C17 | H3 | 119.9° | 120.0° |
| C21 | C16 | C15 | 119.0° | 120.1° |
| C16 | C21 | H9 | 119.9° | 120.0° |
| C14 | O4 | C15 | 118.1° | 117.1° |
| O4 | C14 | N9 | 125.4° | 120.0° |
| O4 | C15 | C16 | 115.4° | 109.5° |
| O4 | C15 | H1 | 108.0° | 109.4° |
| O4 | C15 | H2 | 108.0° | 109.4° |
| C16 | C15 | H1 | 108.0° | 109.4° |
| C16 | C15 | H2 | 108.0° | 109.6° |
| C14 | N9 | C22 | 123.8° | 125.6° |
| C14 | N9 | C13 | 129.4° | 125.7° |
| C5 | N2 | C4 | 119.9° | 120.0° |
| N2 | C5 | H16 | 108.4° | 109.4° |
| N2 | C5 | H17 | 108.4° | 109.5° |
| C5 | N2 | H22 | 120.1° | 120.0° |
| N2 | C4 | O3 | 120.2° | 119.9° |
| N2 | C4 | C3 | 118.4° | 120.0° |
| C4 | N2 | H22 | 120.0° | 120.0° |
| C22 | N9 | C13 | 106.8° | 108.7° |
| N9 | C22 | C23 | 107.6° | 104.8° |
| N9 | C22 | H10 | 109.9° | 110.3° |
| N9 | C22 | H11 | 109.9° | 110.5° |
| N9 | C13 | C12 | 105.5° | 109.9° |
| N9 | C13 | C24 | 110.8° | 107.3° |
| N9 | C13 | H5 | 110.5° | 110.0° |
| C22 | C23 | C24 | 106.8° | 101.6° |
| C23 | C22 | H10 | 109.9° | 110.4° |
| C23 | C22 | H11 | 109.9° | 110.4° |
| C22 | C23 | H12 | 110.1° | 111.0° |
| C22 | C23 | H13 | 110.1° | 111.0° |
| O3 | C4 | C3 | 121.4° | 120.1° |
| C4 | C3 | N8 | 117.3° | 120.3° |
| C4 | C3 | C2 | 123.0° | 120.3° |
| C3 | N8 | C12 | 120.7° | 122.2° |
| N8 | C3 | C2 | 119.7° | 119.4° |
| N8 | C12 | C13 | 118.1° | 118.7° |
| N8 | C12 | N1 | 120.6° | 122.6° |
| C3 | C2 | O2 | 120.7° | 121.1° |
| C3 | C2 | C1 | 119.7° | 117.8° |
| C12 | C13 | C24 | 110.4° | 109.9° |
| C13 | C12 | N1 | 121.3° | 118.7° |
| C12 | C13 | H5 | 109.6° | 109.9° |
| C13 | C24 | C23 | 106.2° | 102.9° |
| C24 | C13 | H5 | 110.0° | 109.9° |
| C13 | C24 | H14 | 110.3° | 110.7° |
| C13 | C24 | H15 | 110.3° | 110.8° |
| C12 | N1 | C1 | 119.1° | 120.1° |
| C12 | N1 | H21 | 120.5° | 119.9° |
| O2 | C2 | C1 | 119.6° | 121.2° |
| C2 | O2 | H25 | 109.5° | 114.0° |
| C2 | C1 | N1 | 120.2° | 117.9° |
| C2 | C1 | O1 | 120.3° | 121.0° |
| C24 | C23 | H12 | 110.2° | 111.0° |
| C24 | C23 | H13 | 110.2° | 110.9° |
| C23 | C24 | H14 | 110.3° | 110.7° |
| C23 | C24 | H15 | 110.3° | 110.7° |
| N1 | C1 | O1 | 119.5° | 121.0° |
| C1 | N1 | H21 | 120.4° | 120.0° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 110.3° |
| H12 | C23 | H13 | 109.4° | 110.9° |
| H14 | C24 | H15 | 109.5° | 110.8° |
| H16 | C5 | H17 | 109.5° | 109.5° |
| H18 | C6 | H19 | 109.5° | 109.4° |
| H23 | N7 | H24 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N6 | C11 | N7 | 180.0° | 179.7° |
| N6 | C10 | N5 | H4 | 180.0° | 179.7° |
| C10 | N6 | C11 | C8 | 0.0° | 0.0° |
| N6 | C10 | N5 | C9 | 0.0° | 0.2° |
| N6 | C11 | N7 | C8 | 180.0° | 179.7° |
| C11 | N6 | C10 | N5 | 0.0° | 0.0° |
| N6 | C11 | C8 | C9 | 0.0° | 0.3° |
| N6 | C11 | C8 | N4 | 180.0° | 180.0° |
| C11 | N6 | C10 | H4 | 180.0° | 179.7° |
| N6 | C11 | N7 | H23 | 0.0° | 179.8° |
| N6 | C11 | N7 | H24 | 120.0° | 0.2° |
| N7 | C11 | C8 | C9 | 180.0° | 180.0° |
| N7 | C11 | C8 | N4 | 0.1° | 0.3° |
| C11 | N7 | H23 | H24 | 120.0° | 180.0° |
| C10 | N5 | C9 | C8 | 0.1° | 0.5° |
| C10 | N5 | C9 | N3 | 178.8° | 179.8° |
| C11 | C8 | C9 | N5 | 0.0° | 0.5° |
| C11 | C8 | C9 | N4 | 180.0° | 179.8° |
| C11 | C8 | C9 | N3 | 179.1° | 180.0° |
| C11 | C8 | N4 | C7 | 179.7° | 180.0° |
| C8 | C11 | N7 | H23 | 179.9° | 0.1° |
| C8 | C11 | N7 | H24 | 59.9° | 180.0° |
| N5 | C9 | C8 | N3 | 179.0° | 179.4° |
| N5 | C9 | C8 | N4 | 179.9° | 179.7° |
| N5 | C9 | N3 | C7 | 179.2° | 179.4° |
| N5 | C9 | N3 | C6 | 2.8° | 0.7° |
| C9 | N5 | C10 | H4 | 180.0° | 180.0° |
| C9 | C8 | N4 | C7 | 0.3° | 0.3° |
| C8 | C9 | N3 | C7 | 1.9° | 0.1° |
| C8 | C9 | N3 | C6 | 178.3° | 180.0° |
| N4 | C8 | C9 | N3 | 0.9° | 0.2° |
| C8 | N4 | C7 | N3 | 1.4° | 0.2° |
| C8 | N4 | C7 | H20 | 178.5° | 179.9° |
| C9 | N3 | C7 | N4 | 2.2° | 0.1° |
| C9 | N3 | C7 | C6 | 176.5° | 179.9° |
| C9 | N3 | C6 | C5 | 138.2° | 85.0° |
| C9 | N3 | C6 | H18 | 101.7° | 34.9° |
| C9 | N3 | C6 | H19 | 18.2° | 154.9° |
| C9 | N3 | C7 | H20 | 177.7° | 180.0° |
| N4 | C7 | N3 | H20 | 180.0° | 179.9° |
| N4 | C7 | N3 | C6 | 178.8° | 179.8° |
| C7 | N3 | C6 | C5 | 45.6° | 95.0° |
| C7 | N3 | C6 | H18 | 74.4° | 145.0° |
| C7 | N3 | C6 | H19 | 165.7° | 25.0° |
| N3 | C6 | C5 | H18 | 120.1° | 120.0° |
| N3 | C6 | C5 | H19 | 120.0° | 120.0° |
| N3 | C6 | C5 | N2 | 52.4° | 180.0° |
| N3 | C6 | C5 | H16 | 68.2° | 60.0° |
| N3 | C6 | C5 | H17 | 173.0° | 60.0° |
| N3 | C6 | H18 | H19 | 119.8° | 120.0° |
| C6 | N3 | C7 | H20 | 1.2° | 0.0° |
| C20 | C19 | C18 | H7 | 180.0° | 179.8° |
| C19 | C20 | C21 | H8 | 180.0° | 179.8° |
| C20 | C19 | C18 | C17 | 0.0° | 0.0° |
| C19 | C20 | C21 | C16 | 0.5° | 0.5° |
| C20 | C19 | C18 | H6 | 179.9° | 179.9° |
| C19 | C20 | C21 | H9 | 179.5° | 180.0° |
| C18 | C19 | C20 | C21 | 0.4° | 0.2° |
| C19 | C18 | C17 | H6 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 1.1° | 0.0° |
| C19 | C18 | C17 | H3 | 179.0° | 179.7° |
| C18 | C19 | C20 | H8 | 179.6° | 180.0° |
| C20 | C21 | C16 | C17 | 1.6° | 0.6° |
| C20 | C21 | C16 | H9 | 180.0° | 179.4° |
| C20 | C21 | C16 | C15 | 178.9° | 179.5° |
| C21 | C20 | C19 | H7 | 179.6° | 180.0° |
| C18 | C17 | C16 | H3 | 180.0° | 179.7° |
| C18 | C17 | C16 | C21 | 1.9° | 0.3° |
| C18 | C17 | C16 | C15 | 179.1° | 179.7° |
| C17 | C18 | C19 | H7 | 180.0° | 179.8° |
| C6 | C5 | N2 | H16 | 120.6° | 120.0° |
| C6 | C5 | N2 | H17 | 120.6° | 120.0° |
| C6 | C5 | N2 | C4 | 90.1° | 180.0° |
| C6 | C5 | H16 | H17 | 118.1° | 120.0° |
| C5 | C6 | H18 | H19 | 119.9° | 120.0° |
| C6 | C5 | N2 | H22 | 89.9° | 0.0° |
| O5 | C14 | O4 | N9 | 179.3° | 180.0° |
| O5 | C14 | O4 | C15 | 122.7° | 0.0° |
| O5 | C14 | N9 | C22 | 16.5° | 180.0° |
| O5 | C14 | N9 | C13 | 161.1° | 0.0° |
| C17 | C16 | C21 | C15 | 177.3° | 179.9° |
| C17 | C16 | C15 | O4 | 57.1° | 90.0° |
| C17 | C16 | C15 | H1 | 178.0° | 150.0° |
| C17 | C16 | C15 | H2 | 63.7° | 30.0° |
| C16 | C17 | C18 | H6 | 179.0° | 180.0° |
| C17 | C16 | C21 | H9 | 178.4° | 180.0° |
| C21 | C16 | C15 | O4 | 125.7° | 90.0° |
| C21 | C16 | C15 | H1 | 4.8° | 29.9° |
| C21 | C16 | C15 | H2 | 113.5° | 149.9° |
| C21 | C16 | C17 | H3 | 178.1° | 180.0° |
| C16 | C21 | C20 | H8 | 179.5° | 179.7° |
| C14 | O4 | C15 | C16 | 86.2° | 179.9° |
| O4 | C14 | N9 | C22 | 162.9° | 0.0° |
| O4 | C14 | N9 | C13 | 19.5° | 180.0° |
| C14 | O4 | C15 | H1 | 152.9° | 60.0° |
| C14 | O4 | C15 | H2 | 34.6° | 60.0° |
| O4 | C15 | C16 | H1 | 120.9° | 119.9° |
| O4 | C15 | C16 | H2 | 120.8° | 120.0° |
| C15 | O4 | C14 | N9 | 58.0° | 180.0° |
| O4 | C15 | H1 | H2 | 117.3° | 120.0° |
| C16 | C15 | H1 | H2 | 117.3° | 120.1° |
| C15 | C16 | C17 | H3 | 0.9° | 0.0° |
| C15 | C16 | C21 | H9 | 1.1° | 0.0° |
| C14 | N9 | C22 | C13 | 178.1° | 180.0° |
| C14 | N9 | C22 | C23 | 168.5° | 155.9° |
| C14 | N9 | C13 | C12 | 67.7° | 61.6° |
| C14 | N9 | C13 | C24 | 172.8° | 179.0° |
| C14 | N9 | C13 | H5 | 50.6° | 59.5° |
| C14 | N9 | C22 | H10 | 48.9° | 85.3° |
| C14 | N9 | C22 | H11 | 71.7° | 37.0° |
| C5 | N2 | C4 | H22 | 180.0° | 179.9° |
| C5 | N2 | C4 | O3 | 2.8° | 0.0° |
| C5 | N2 | C4 | C3 | 179.8° | 180.0° |
| N2 | C5 | H16 | H17 | 118.1° | 120.0° |
| N2 | C5 | C6 | H18 | 172.5° | 60.0° |
| N2 | C5 | C6 | H19 | 67.6° | 60.0° |
| N2 | C4 | O3 | C3 | 177.3° | 180.0° |
| N2 | C4 | C3 | N8 | 1.8° | 0.0° |
| N2 | C4 | C3 | C2 | 178.8° | 180.0° |
| C4 | N2 | C5 | H16 | 149.3° | 60.0° |
| C4 | N2 | C5 | H17 | 30.5° | 60.0° |
| N9 | C22 | C23 | H10 | 119.7° | 118.8° |
| N9 | C22 | C23 | H11 | 119.7° | 119.0° |
| C22 | N9 | C13 | C12 | 110.2° | 118.4° |
| C22 | N9 | C13 | C24 | 9.3° | 1.0° |
| N9 | C22 | C23 | C24 | 12.7° | 37.0° |
| C22 | N9 | C13 | H5 | 131.5° | 120.5° |
| N9 | C22 | H10 | H11 | 120.9° | 122.3° |
| N9 | C22 | C23 | H12 | 106.9° | 81.1° |
| N9 | C22 | C23 | H13 | 132.3° | 155.0° |
| C13 | N9 | C22 | C23 | 13.4° | 24.1° |
| N9 | C13 | C12 | N8 | 37.8° | 32.9° |
| N9 | C13 | C12 | C24 | 119.7° | 117.8° |
| N9 | C13 | C12 | H5 | 118.9° | 121.2° |
| N9 | C13 | C24 | H5 | 122.4° | 119.5° |
| N9 | C13 | C12 | N1 | 139.3° | 147.2° |
| N9 | C13 | C24 | C23 | 1.3° | 22.2° |
| C13 | N9 | C22 | H10 | 133.1° | 94.7° |
| C13 | N9 | C22 | H11 | 106.4° | 143.0° |
| N9 | C13 | C24 | H14 | 120.8° | 96.2° |
| N9 | C13 | C24 | H15 | 118.2° | 140.5° |
| C22 | C23 | C24 | C13 | 6.9° | 35.5° |
| C22 | C23 | C24 | H12 | 119.6° | 118.1° |
| C22 | C23 | C24 | H13 | 119.6° | 118.0° |
| C23 | C22 | H10 | H11 | 120.8° | 122.2° |
| C22 | C23 | H12 | H13 | 121.2° | 123.9° |
| C22 | C23 | C24 | H14 | 112.6° | 82.8° |
| C22 | C23 | C24 | H15 | 126.4° | 153.9° |
| O3 | C4 | C3 | N8 | 179.2° | 180.0° |
| O3 | C4 | C3 | C2 | 1.4° | 0.0° |
| O3 | C4 | N2 | H22 | 177.2° | 179.9° |
| C4 | C3 | N8 | C2 | 179.4° | 180.0° |
| C4 | C3 | N8 | C12 | 179.8° | 179.7° |
| C4 | C3 | C2 | O2 | 0.7° | 0.0° |
| C4 | C3 | C2 | C1 | 179.3° | 180.0° |
| C3 | C4 | N2 | H22 | 0.2° | 0.1° |
| C3 | N8 | C12 | C13 | 178.7° | 179.7° |
| C3 | N8 | C12 | N1 | 1.6° | 0.3° |
| N8 | C3 | C2 | O2 | 179.9° | 180.0° |
| N8 | C3 | C2 | C1 | 0.1° | 0.0° |
| C12 | N8 | C3 | C2 | 0.8° | 0.3° |
| N8 | C12 | C13 | N1 | 177.1° | 179.9° |
| N8 | C12 | C13 | C24 | 82.0° | 85.0° |
| N8 | C12 | N1 | C1 | 1.5° | 0.0° |
| N8 | C12 | C13 | H5 | 156.7° | 154.0° |
| N8 | C12 | N1 | H21 | 178.5° | 179.9° |
| C3 | C2 | O2 | C1 | 180.0° | 179.9° |
| C3 | C2 | C1 | N1 | 0.2° | 0.2° |
| C3 | C2 | C1 | O1 | 180.0° | 180.0° |
| C3 | C2 | O2 | H25 | 0.1° | 180.0° |
| C12 | C13 | C24 | H5 | 121.1° | 121.0° |
| C12 | C13 | C24 | C23 | 115.1° | 141.7° |
| C13 | C12 | N1 | C1 | 178.5° | 180.0° |
| C12 | C13 | C24 | H14 | 4.4° | 23.3° |
| C12 | C13 | C24 | H15 | 125.4° | 100.0° |
| C13 | C12 | N1 | H21 | 1.5° | 0.0° |
| C24 | C13 | C12 | N1 | 100.9° | 95.0° |
| C13 | C24 | C23 | H14 | 119.5° | 118.3° |
| C13 | C24 | C23 | H15 | 119.5° | 118.4° |
| C13 | C24 | C23 | H12 | 112.7° | 82.6° |
| C13 | C24 | C23 | H13 | 126.5° | 153.5° |
| C13 | C24 | H14 | H15 | 121.5° | 123.3° |
| C12 | N1 | C1 | C2 | 0.6° | 0.3° |
| C12 | N1 | C1 | H21 | 180.0° | 180.0° |
| C12 | N1 | C1 | O1 | 179.3° | 180.0° |
| N1 | C12 | C13 | H5 | 20.4° | 26.0° |
| O2 | C2 | C1 | N1 | 179.8° | 179.7° |
| O2 | C2 | C1 | O1 | 0.1° | 0.0° |
| C2 | C1 | N1 | O1 | 179.9° | 179.7° |
| C2 | C1 | N1 | H21 | 179.4° | 179.7° |
| C1 | C2 | O2 | H25 | 180.0° | 0.1° |
| C23 | C24 | C13 | H5 | 123.8° | 97.3° |
| C24 | C23 | C22 | H10 | 132.4° | 81.8° |
| C24 | C23 | C22 | H11 | 107.1° | 156.0° |
| C24 | C23 | H12 | H13 | 121.3° | 123.9° |
| C23 | C24 | H14 | H15 | 121.5° | 123.2° |
| O1 | C1 | N1 | H21 | 0.7° | 0.1° |
| H3 | C17 | C18 | H6 | 1.0° | 0.3° |
| H5 | C13 | C24 | H14 | 116.8° | 144.3° |
| H5 | C13 | C24 | H15 | 4.3° | 21.0° |
| H6 | C18 | C19 | H7 | 0.1° | 0.3° |
| H7 | C19 | C20 | H8 | 0.4° | 0.2° |
| H8 | C20 | C21 | H9 | 0.5° | 0.3° |
| H10 | C22 | C23 | H12 | 12.8° | 160.1° |
| H10 | C22 | C23 | H13 | 108.0° | 36.2° |
| H11 | C22 | C23 | H12 | 133.3° | 37.9° |
| H11 | C22 | C23 | H13 | 12.5° | 86.0° |
| H12 | C23 | C24 | H14 | 127.8° | 159.1° |
| H12 | C23 | C24 | H15 | 6.8° | 35.8° |
| H13 | C23 | C24 | H14 | 6.9° | 35.2° |
| H13 | C23 | C24 | H15 | 114.1° | 88.1° |
| H16 | C5 | C6 | H18 | 51.9° | 60.0° |
| H16 | C5 | C6 | H19 | 171.8° | 180.0° |
| H16 | C5 | N2 | H22 | 30.7° | 120.1° |
| H17 | C5 | C6 | H18 | 66.9° | 180.0° |
| H17 | C5 | C6 | H19 | 53.0° | 60.0° |
| H17 | C5 | N2 | H22 | 149.5° | 120.0° |
