QAJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N8 | C16 | doub | 1.30Å | 1.31Å | Aromatic |
| N8 | N7 | sing | 1.38Å | 1.37Å | Aromatic |
| N9 | C16 | sing | 1.39Å | 1.37Å | |
| N9 | C17 | sing | 1.35Å | 1.36Å | |
| C18 | C19 | sing | 1.51Å | 1.48Å | |
| C18 | C17 | sing | 1.51Å | 1.48Å | |
| C23 | N10 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | S2 | sing | 1.76Å | 1.72Å | Aromatic |
| N7 | C15 | doub | 1.30Å | 1.31Å | Aromatic |
| N10 | C22 | sing | 1.32Å | 1.34Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.37Å | Aromatic |
| C17 | O2 | doub | 1.21Å | 1.22Å | |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.49Å | |
| C15 | S2 | sing | 1.76Å | 1.71Å | Aromatic |
| C15 | N1 | sing | 1.39Å | 1.35Å | |
| N2 | C5 | sing | 1.47Å | 1.44Å | |
| N2 | C6 | sing | 1.39Å | 1.36Å | |
| C3 | N1 | sing | 1.47Å | 1.45Å | |
| C5 | C1 | sing | 1.53Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| N1 | C2 | sing | 1.47Å | 1.43Å | |
| S1 | C6 | sing | 1.76Å | 1.71Å | Aromatic |
| S1 | C7 | sing | 1.76Å | 1.71Å | Aromatic |
| C6 | N3 | doub | 1.30Å | 1.32Å | Aromatic |
| O1 | C8 | doub | 1.21Å | 1.22Å | |
| N6 | C14 | doub | 1.32Å | 1.33Å | Aromatic |
| N6 | C13 | sing | 1.32Å | 1.34Å | Aromatic |
| C14 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | N4 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | N5 | sing | 1.35Å | 1.37Å | |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C7 | N5 | sing | 1.39Å | 1.38Å | |
| C7 | N4 | doub | 1.30Å | 1.31Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.49Å | |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| N5 | H23 | sing | 0.97Å | 1.00Å | |
| N9 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N8 | N7 | 111.2° | 115.6° |
| N8 | C16 | N9 | 124.8° | 125.4° |
| N8 | C16 | S2 | 114.4° | 109.2° |
| N8 | N7 | C15 | 113.7° | 115.6° |
| C16 | N9 | C17 | 120.2° | 120.0° |
| N9 | C16 | S2 | 120.8° | 125.4° |
| C16 | N9 | H24 | 119.9° | 119.9° |
| N9 | C17 | C18 | 111.1° | 120.0° |
| N9 | C17 | O2 | 127.1° | 120.0° |
| C17 | N9 | H24 | 119.9° | 120.0° |
| C19 | C18 | C17 | 108.1° | 109.5° |
| C18 | C19 | C23 | 122.3° | 120.4° |
| C18 | C19 | C20 | 118.2° | 120.4° |
| C19 | C18 | H13 | 109.8° | 109.5° |
| C19 | C18 | H14 | 109.8° | 109.5° |
| C18 | C17 | O2 | 120.8° | 120.0° |
| C17 | C18 | H13 | 109.8° | 109.4° |
| C17 | C18 | H14 | 109.8° | 109.5° |
| N10 | C23 | C19 | 125.5° | 120.7° |
| C23 | N10 | C22 | 113.4° | 121.8° |
| N10 | C23 | H17 | 117.3° | 119.6° |
| C23 | C19 | C20 | 119.5° | 119.2° |
| C19 | C23 | H17 | 117.2° | 119.7° |
| C16 | S2 | C15 | 87.7° | 90.4° |
| N7 | C15 | S2 | 113.1° | 109.1° |
| N7 | C15 | N1 | 126.1° | 125.5° |
| N10 | C22 | C21 | 125.4° | 120.8° |
| N10 | C22 | H7 | 117.3° | 119.6° |
| C19 | C20 | C21 | 116.9° | 118.4° |
| C19 | C20 | H5 | 121.6° | 120.9° |
| C22 | C21 | C20 | 119.3° | 119.1° |
| C22 | C21 | H6 | 120.4° | 120.4° |
| C21 | C22 | H7 | 117.3° | 119.6° |
| C21 | C20 | H5 | 121.6° | 120.7° |
| C20 | C21 | H6 | 120.3° | 120.5° |
| C3 | C4 | C5 | 102.9° | 109.3° |
| C4 | C3 | N1 | 112.9° | 109.5° |
| C3 | C4 | H1 | 111.1° | 109.5° |
| C3 | C4 | H2 | 111.1° | 109.5° |
| C4 | C3 | H18 | 108.6° | 109.5° |
| C4 | C3 | H19 | 108.6° | 109.5° |
| C4 | C5 | N2 | 117.9° | 109.6° |
| C4 | C5 | C1 | 104.4° | 109.2° |
| C5 | C4 | H1 | 111.1° | 109.5° |
| C5 | C4 | H2 | 111.1° | 109.5° |
| C4 | C5 | H3 | 108.4° | 109.6° |
| S2 | C15 | N1 | 120.9° | 125.4° |
| C15 | N1 | C3 | 116.6° | 111.0° |
| C15 | N1 | C2 | 109.6° | 110.9° |
| C5 | N2 | C6 | 105.2° | 120.0° |
| N2 | C5 | C1 | 108.5° | 109.5° |
| N2 | C5 | H3 | 109.0° | 109.6° |
| C5 | N2 | H22 | 110.5° | 120.0° |
| N2 | C6 | S1 | 122.9° | 125.4° |
| N2 | C6 | N3 | 125.3° | 125.4° |
| C6 | N2 | H22 | 110.5° | 120.0° |
| C3 | N1 | C2 | 112.3° | 111.2° |
| N1 | C3 | H18 | 108.6° | 109.5° |
| N1 | C3 | H19 | 108.6° | 109.5° |
| C5 | C1 | C2 | 103.1° | 109.3° |
| C1 | C5 | H3 | 108.3° | 109.5° |
| C5 | C1 | H8 | 111.0° | 109.5° |
| C5 | C1 | H9 | 111.0° | 109.5° |
| C1 | C2 | N1 | 108.5° | 109.5° |
| C2 | C1 | H8 | 111.0° | 109.5° |
| C2 | C1 | H9 | 111.0° | 109.5° |
| C1 | C2 | H15 | 109.7° | 109.4° |
| C1 | C2 | H16 | 109.7° | 109.5° |
| N1 | C2 | H15 | 109.7° | 109.5° |
| N1 | C2 | H16 | 109.7° | 109.5° |
| C6 | S1 | C7 | 89.0° | 90.4° |
| S1 | C6 | N3 | 111.8° | 109.2° |
| S1 | C7 | N5 | 119.2° | 125.4° |
| S1 | C7 | N4 | 113.3° | 109.2° |
| C6 | N3 | N4 | 114.2° | 115.6° |
| O1 | C8 | N5 | 124.6° | 120.0° |
| O1 | C8 | C9 | 119.4° | 120.0° |
| C14 | N6 | C13 | 115.5° | 121.7° |
| N6 | C14 | C10 | 123.8° | 120.7° |
| N6 | C14 | H12 | 118.1° | 119.6° |
| N6 | C13 | C12 | 125.6° | 120.8° |
| N6 | C13 | H4 | 117.2° | 119.7° |
| C14 | C10 | C9 | 120.0° | 120.4° |
| C14 | C10 | C11 | 118.7° | 119.2° |
| C10 | C14 | H12 | 118.1° | 119.6° |
| N3 | N4 | C7 | 111.6° | 115.7° |
| N5 | C8 | C9 | 111.1° | 120.0° |
| C8 | N5 | C7 | 121.0° | 120.0° |
| C8 | N5 | H23 | 119.5° | 120.0° |
| C8 | C9 | C10 | 108.2° | 109.5° |
| C8 | C9 | H20 | 109.8° | 109.4° |
| C8 | C9 | H21 | 109.8° | 109.5° |
| N5 | C7 | N4 | 127.5° | 125.4° |
| C7 | N5 | H23 | 119.5° | 120.0° |
| C13 | C12 | C11 | 117.3° | 119.1° |
| C12 | C13 | H4 | 117.2° | 119.6° |
| C13 | C12 | H11 | 121.3° | 120.5° |
| C9 | C10 | C11 | 121.3° | 120.4° |
| C10 | C9 | H20 | 109.8° | 109.5° |
| C10 | C9 | H21 | 109.8° | 109.5° |
| C10 | C11 | C12 | 119.0° | 118.5° |
| C10 | C11 | H10 | 120.5° | 120.8° |
| C12 | C11 | H10 | 120.5° | 120.8° |
| C11 | C12 | H11 | 121.4° | 120.4° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.5° |
| H15 | C2 | H16 | 109.5° | 109.4° |
| H18 | C3 | H19 | 109.5° | 109.4° |
| H20 | C9 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N8 | C16 | N9 | S2 | 179.2° | 180.0° |
| N8 | C16 | N9 | C17 | 160.3° | 0.0° |
| C16 | N8 | N7 | C15 | 0.3° | 0.0° |
| N8 | C16 | S2 | C15 | 0.1° | 0.0° |
| N8 | C16 | N9 | H24 | 19.7° | 179.9° |
| N7 | N8 | C16 | N9 | 179.4° | 180.0° |
| N7 | N8 | C16 | S2 | 0.2° | 0.0° |
| N8 | N7 | C15 | S2 | 0.2° | 0.0° |
| N8 | N7 | C15 | N1 | 179.5° | 179.7° |
| C16 | N9 | C17 | H24 | 180.0° | 180.0° |
| C16 | N9 | C17 | C18 | 169.1° | 180.0° |
| C16 | N9 | C17 | O2 | 22.6° | 0.0° |
| N9 | C16 | S2 | C15 | 179.3° | 180.0° |
| N9 | C17 | C18 | C19 | 141.1° | 180.0° |
| N9 | C17 | C18 | O2 | 169.1° | 180.0° |
| C17 | N9 | C16 | S2 | 20.5° | 180.0° |
| N9 | C17 | C18 | H13 | 99.1° | 60.0° |
| N9 | C17 | C18 | H14 | 21.3° | 60.0° |
| C19 | C18 | C17 | H13 | 119.8° | 120.0° |
| C19 | C18 | C17 | H14 | 119.8° | 120.0° |
| C18 | C19 | C23 | N10 | 180.0° | 179.4° |
| C18 | C19 | C23 | C20 | 179.8° | 179.9° |
| C19 | C18 | C17 | O2 | 28.0° | 0.0° |
| C18 | C19 | C20 | C21 | 179.6° | 179.9° |
| C18 | C19 | C20 | H5 | 0.4° | 0.3° |
| C19 | C18 | H13 | H14 | 120.6° | 120.0° |
| C18 | C19 | C23 | H17 | 0.0° | 0.3° |
| C17 | C18 | C19 | C23 | 71.4° | 90.0° |
| C17 | C18 | C19 | C20 | 108.7° | 90.0° |
| C17 | C18 | H13 | H14 | 120.6° | 120.0° |
| C18 | C17 | N9 | H24 | 10.9° | 0.0° |
| N10 | C23 | C19 | H17 | 180.0° | 179.2° |
| N10 | C23 | C19 | C20 | 0.1° | 0.5° |
| C23 | N10 | C22 | C21 | 0.0° | 0.5° |
| C23 | N10 | C22 | H7 | 179.9° | 179.4° |
| C19 | C23 | N10 | C22 | 0.1° | 0.8° |
| C23 | C19 | C20 | C21 | 0.5° | 0.0° |
| C23 | C19 | C20 | H5 | 179.5° | 179.8° |
| C23 | C19 | C18 | H13 | 168.7° | 150.1° |
| C23 | C19 | C18 | H14 | 48.4° | 30.1° |
| C16 | S2 | C15 | N7 | 0.1° | 0.0° |
| C16 | S2 | C15 | N1 | 179.4° | 179.7° |
| S2 | C16 | N9 | H24 | 159.5° | 0.0° |
| N7 | C15 | S2 | N1 | 179.4° | 179.8° |
| N7 | C15 | N1 | C3 | 33.5° | 123.9° |
| N7 | C15 | N1 | C2 | 95.5° | 0.3° |
| N10 | C22 | C21 | H7 | 180.0° | 180.0° |
| N10 | C22 | C21 | C20 | 0.5° | 0.0° |
| N10 | C22 | C21 | H6 | 179.5° | 180.0° |
| C22 | N10 | C23 | H17 | 179.9° | 179.9° |
| C19 | C20 | C21 | C22 | 0.7° | 0.3° |
| C19 | C20 | C21 | H5 | 180.0° | 179.8° |
| C19 | C20 | C21 | H6 | 179.3° | 179.7° |
| C20 | C19 | C18 | H13 | 11.1° | 30.0° |
| C20 | C19 | C18 | H14 | 131.5° | 150.0° |
| C20 | C19 | C23 | H17 | 179.9° | 179.7° |
| O2 | C17 | C18 | H13 | 91.8° | 120.0° |
| O2 | C17 | C18 | H14 | 147.8° | 120.0° |
| O2 | C17 | N9 | H24 | 157.3° | 180.0° |
| C22 | C21 | C20 | H6 | 180.0° | 180.0° |
| C22 | C21 | C20 | H5 | 179.3° | 180.0° |
| C20 | C21 | C22 | H7 | 179.5° | 180.0° |
| C3 | C4 | C5 | H1 | 118.9° | 119.9° |
| C3 | C4 | C5 | H2 | 118.9° | 120.0° |
| C4 | C3 | N1 | C15 | 75.5° | 174.2° |
| C3 | C4 | C5 | N2 | 168.8° | 62.2° |
| C4 | C3 | N1 | H18 | 120.5° | 120.0° |
| C4 | C3 | N1 | H19 | 120.5° | 120.0° |
| C3 | C4 | C5 | C1 | 70.8° | 57.7° |
| C4 | C3 | N1 | C2 | 52.2° | 61.8° |
| C3 | C4 | H1 | H2 | 123.0° | 120.1° |
| C3 | C4 | C5 | H3 | 44.4° | 177.5° |
| C4 | C3 | H18 | H19 | 118.4° | 119.9° |
| C4 | C5 | N2 | C1 | 118.3° | 119.7° |
| C4 | C5 | N2 | H3 | 124.1° | 120.2° |
| C4 | C5 | N2 | C6 | 176.5° | 155.0° |
| C5 | C4 | C3 | N1 | 58.5° | 59.2° |
| C4 | C5 | C1 | H3 | 115.3° | 119.9° |
| C4 | C5 | C1 | C2 | 76.9° | 57.6° |
| C5 | C4 | H1 | H2 | 123.1° | 120.1° |
| C4 | C5 | C1 | H8 | 164.1° | 62.3° |
| C4 | C5 | C1 | H9 | 42.1° | 177.6° |
| C5 | C4 | C3 | H18 | 179.0° | 179.2° |
| C5 | C4 | C3 | H19 | 62.0° | 60.9° |
| C4 | C5 | N2 | H22 | 57.2° | 25.0° |
| S2 | C15 | N1 | C3 | 147.2° | 55.8° |
| S2 | C15 | N1 | C2 | 83.8° | 180.0° |
| C15 | N1 | C3 | C2 | 127.6° | 124.0° |
| C15 | N1 | C2 | C1 | 76.0° | 174.2° |
| C15 | N1 | C2 | H15 | 164.2° | 65.8° |
| C15 | N1 | C2 | H16 | 43.8° | 54.1° |
| C15 | N1 | C3 | H18 | 45.0° | 54.2° |
| C15 | N1 | C3 | H19 | 164.0° | 65.8° |
| C5 | N2 | C6 | H22 | 119.3° | 179.9° |
| N2 | C5 | C1 | H3 | 118.2° | 120.1° |
| N2 | C5 | C1 | C2 | 156.6° | 62.3° |
| C5 | N2 | C6 | S1 | 127.3° | 180.0° |
| C5 | N2 | C6 | N3 | 51.4° | 0.1° |
| N2 | C5 | C4 | H1 | 49.8° | 57.7° |
| N2 | C5 | C4 | H2 | 72.3° | 177.8° |
| N2 | C5 | C1 | H8 | 37.6° | 177.8° |
| N2 | C5 | C1 | H9 | 84.5° | 57.7° |
| C6 | N2 | C5 | C1 | 65.2° | 85.3° |
| N2 | C6 | S1 | N3 | 178.8° | 179.9° |
| N2 | C6 | S1 | C7 | 179.3° | 179.9° |
| N2 | C6 | N3 | N4 | 179.1° | 180.0° |
| C6 | N2 | C5 | H3 | 52.5° | 34.8° |
| C3 | N1 | C2 | C1 | 55.3° | 61.7° |
| N1 | C3 | C4 | H1 | 177.4° | 179.1° |
| N1 | C3 | C4 | H2 | 60.4° | 60.7° |
| C3 | N1 | C2 | H15 | 64.6° | 58.2° |
| C3 | N1 | C2 | H16 | 175.1° | 178.2° |
| N1 | C3 | H18 | H19 | 118.5° | 120.0° |
| C5 | C1 | C2 | H8 | 119.0° | 119.9° |
| C5 | C1 | C2 | H9 | 119.0° | 120.0° |
| C5 | C1 | C2 | N1 | 66.9° | 59.1° |
| C1 | C5 | C4 | H1 | 170.2° | 177.6° |
| C1 | C5 | C4 | H2 | 48.1° | 62.3° |
| C5 | C1 | H8 | H9 | 123.0° | 120.1° |
| C5 | C1 | C2 | H15 | 52.9° | 60.8° |
| C5 | C1 | C2 | H16 | 173.2° | 179.2° |
| C1 | C5 | N2 | H22 | 175.5° | 94.7° |
| C1 | C2 | N1 | H15 | 119.8° | 120.0° |
| C1 | C2 | N1 | H16 | 119.8° | 120.1° |
| C2 | C1 | C5 | H3 | 38.4° | 177.6° |
| C2 | C1 | H8 | H9 | 122.9° | 120.1° |
| C1 | C2 | H15 | H16 | 120.4° | 120.0° |
| N1 | C2 | C1 | H8 | 174.1° | 60.8° |
| N1 | C2 | C1 | H9 | 52.0° | 179.1° |
| N1 | C2 | H15 | H16 | 120.4° | 120.0° |
| C2 | N1 | C3 | H18 | 172.7° | 178.2° |
| C2 | N1 | C3 | H19 | 68.3° | 58.3° |
| S1 | C6 | N3 | N4 | 0.3° | 0.0° |
| C6 | S1 | C7 | N5 | 179.3° | 179.9° |
| C6 | S1 | C7 | N4 | 0.6° | 0.0° |
| S1 | C6 | N2 | H22 | 113.4° | 0.0° |
| C7 | S1 | C6 | N3 | 0.5° | 0.0° |
| S1 | C7 | N4 | N3 | 0.5° | 0.0° |
| S1 | C7 | N5 | C8 | 42.8° | 179.9° |
| S1 | C7 | N5 | N4 | 178.5° | 179.9° |
| S1 | C7 | N5 | H23 | 137.2° | 0.1° |
| C6 | N3 | N4 | C7 | 0.1° | 0.0° |
| N3 | C6 | N2 | H22 | 67.9° | 180.0° |
| O1 | C8 | N5 | C9 | 154.7° | 180.0° |
| O1 | C8 | N5 | C7 | 46.5° | 0.0° |
| O1 | C8 | C9 | C10 | 56.3° | 0.0° |
| O1 | C8 | C9 | H20 | 176.1° | 120.0° |
| O1 | C8 | C9 | H21 | 63.5° | 120.0° |
| O1 | C8 | N5 | H23 | 133.5° | 180.0° |
| N6 | C14 | C10 | H12 | 180.0° | 179.9° |
| C14 | N6 | C13 | C12 | 0.4° | 0.4° |
| N6 | C14 | C10 | C9 | 179.2° | 180.0° |
| N6 | C14 | C10 | C11 | 0.7° | 0.3° |
| C14 | N6 | C13 | H4 | 179.6° | 180.0° |
| C13 | N6 | C14 | C10 | 0.6° | 0.1° |
| N6 | C13 | C12 | H4 | 180.0° | 179.6° |
| N6 | C13 | C12 | C11 | 0.3° | 0.3° |
| N6 | C13 | C12 | H11 | 179.8° | 179.6° |
| C13 | N6 | C14 | H12 | 179.4° | 180.0° |
| C14 | C10 | C9 | C8 | 75.7° | 90.3° |
| C14 | C10 | C9 | C11 | 179.9° | 179.7° |
| C14 | C10 | C11 | C12 | 0.5° | 0.3° |
| C14 | C10 | C11 | H10 | 179.4° | 179.8° |
| C14 | C10 | C9 | H20 | 164.5° | 149.7° |
| C14 | C10 | C9 | H21 | 44.1° | 29.7° |
| N3 | N4 | C7 | N5 | 179.1° | 179.9° |
| C8 | N5 | C7 | H23 | 180.0° | 180.0° |
| C8 | N5 | C7 | N4 | 138.7° | 0.1° |
| N5 | C8 | C9 | C10 | 99.9° | 180.0° |
| N5 | C8 | C9 | H20 | 19.9° | 60.0° |
| N5 | C8 | C9 | H21 | 140.3° | 60.0° |
| C9 | C8 | N5 | C7 | 158.8° | 180.0° |
| C8 | C9 | C10 | H20 | 119.8° | 120.0° |
| C8 | C9 | C10 | H21 | 119.8° | 120.0° |
| C8 | C9 | C10 | C11 | 104.1° | 90.0° |
| C8 | C9 | H20 | H21 | 120.6° | 120.0° |
| C9 | C8 | N5 | H23 | 21.2° | 0.0° |
| N4 | C7 | N5 | H23 | 41.3° | 180.0° |
| C13 | C12 | C11 | C10 | 0.3° | 0.0° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| C13 | C12 | C11 | H10 | 179.6° | 180.0° |
| C9 | C10 | C11 | C12 | 179.3° | 180.0° |
| C9 | C10 | C11 | H10 | 0.7° | 0.1° |
| C9 | C10 | C14 | H12 | 0.8° | 0.0° |
| C10 | C9 | H20 | H21 | 120.6° | 120.1° |
| C10 | C11 | C12 | H10 | 180.0° | 179.9° |
| C10 | C11 | C12 | H11 | 179.7° | 180.0° |
| C11 | C10 | C14 | H12 | 179.3° | 179.7° |
| C11 | C10 | C9 | H20 | 15.7° | 29.9° |
| C11 | C10 | C9 | H21 | 136.1° | 150.0° |
| C11 | C12 | C13 | H4 | 179.7° | 179.9° |
| H1 | C4 | C5 | H3 | 74.5° | 62.5° |
| H1 | C4 | C3 | H18 | 62.0° | 60.9° |
| H1 | C4 | C3 | H19 | 56.9° | 59.1° |
| H2 | C4 | C5 | H3 | 163.3° | 57.6° |
| H2 | C4 | C3 | H18 | 60.1° | 59.3° |
| H2 | C4 | C3 | H19 | 179.1° | 179.2° |
| H3 | C5 | C1 | H8 | 80.6° | 57.7° |
| H3 | C5 | C1 | H9 | 157.4° | 62.5° |
| H3 | C5 | N2 | H22 | 66.9° | 145.2° |
| H4 | C13 | C12 | H11 | 0.2° | 0.0° |
| H5 | C20 | C21 | H6 | 0.7° | 0.0° |
| H6 | C21 | C22 | H7 | 0.5° | 0.0° |
| H8 | C1 | C2 | H15 | 66.1° | 179.2° |
| H8 | C1 | C2 | H16 | 54.2° | 59.3° |
| H9 | C1 | C2 | H15 | 171.9° | 59.1° |
| H9 | C1 | C2 | H16 | 67.8° | 60.8° |
| H10 | C11 | C12 | H11 | 0.3° | 0.1° |
