JZX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
| C1 | N2 | sing | 1.33Å | 1.36Å | Aromatic |
| C1 | C8 | sing | 1.48Å | 1.49Å | Aromatic |
| N1 | C3 | sing | 1.35Å | 1.36Å | Aromatic |
| O1 | C14 | sing | 1.43Å | 1.43Å | |
| O1 | C15 | sing | 1.43Å | 1.44Å | |
| S1 | C4 | sing | 1.76Å | 1.68Å | Aromatic |
| S1 | C5 | sing | 1.76Å | 1.68Å | Aromatic |
| C2 | N2 | doub | 1.33Å | 1.35Å | Aromatic |
| C2 | C4 | sing | 1.41Å | 1.38Å | Aromatic |
| C2 | N4 | sing | 1.39Å | 1.41Å | |
| O2 | S2 | doub | 1.42Å | 1.44Å | |
| S2 | O3 | doub | 1.42Å | 1.44Å | |
| S2 | N5 | sing | 1.66Å | 1.61Å | |
| S2 | C21 | sing | 1.81Å | 1.67Å | |
| C3 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
| C3 | C6 | sing | 1.40Å | 1.29Å | Aromatic |
| N3 | C7 | sing | 1.47Å | 1.48Å | |
| N3 | C9 | sing | 1.47Å | 1.48Å | |
| N3 | C12 | sing | 1.47Å | 1.48Å | |
| N4 | C13 | sing | 1.47Å | 1.48Å | |
| N4 | C16 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | doub | 1.32Å | 1.27Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.53Å | |
| N5 | C10 | sing | 1.47Å | 1.48Å | |
| N5 | C11 | sing | 1.47Å | 1.48Å | |
| N6 | C17 | doub | 1.32Å | 1.34Å | Aromatic |
| N6 | C18 | sing | 1.33Å | 1.35Å | Aromatic |
| N7 | C18 | sing | 1.39Å | 1.35Å | |
| C8 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C18 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| N7 | HN7A | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | N2 | 120.7° | 122.3° |
| N1 | C1 | C8 | 121.6° | 118.8° |
| C1 | N1 | C3 | 118.4° | 121.1° |
| N2 | C1 | C8 | 117.7° | 118.9° |
| C1 | N2 | C2 | 122.5° | 120.7° |
| C1 | C8 | C17 | 120.9° | 120.5° |
| C1 | C8 | C19 | 120.4° | 120.5° |
| N1 | C3 | C4 | 120.5° | 117.8° |
| N1 | C3 | C6 | 126.6° | 129.7° |
| C14 | O1 | C15 | 114.6° | 113.8° |
| O1 | C14 | C13 | 111.1° | 109.3° |
| O1 | C14 | H14 | 108.9° | 109.5° |
| O1 | C14 | H14A | 108.9° | 109.5° |
| O1 | C15 | C16 | 112.4° | 109.2° |
| O1 | C15 | H15 | 108.5° | 109.5° |
| O1 | C15 | H15A | 108.5° | 109.5° |
| C4 | S1 | C5 | 87.1° | 91.5° |
| S1 | C4 | C2 | 127.5° | 131.5° |
| S1 | C4 | C3 | 111.2° | 109.5° |
| S1 | C5 | C6 | 116.3° | 110.7° |
| S1 | C5 | C7 | 120.4° | 124.7° |
| N2 | C2 | C4 | 116.6° | 119.0° |
| N2 | C2 | N4 | 118.1° | 120.5° |
| C4 | C2 | N4 | 125.1° | 120.5° |
| C2 | C4 | C3 | 121.3° | 119.0° |
| C2 | N4 | C13 | 114.8° | 111.0° |
| C2 | N4 | C16 | 121.3° | 111.0° |
| O2 | S2 | O3 | 110.1° | 121.0° |
| O2 | S2 | N5 | 109.5° | 104.3° |
| O2 | S2 | C21 | 107.9° | 110.6° |
| O3 | S2 | N5 | 107.1° | 104.3° |
| O3 | S2 | C21 | 110.4° | 110.6° |
| N5 | S2 | C21 | 111.8° | 104.5° |
| S2 | N5 | C10 | 112.0° | 120.8° |
| S2 | N5 | C11 | 110.8° | 120.9° |
| S2 | C21 | H21 | 109.5° | 109.5° |
| S2 | C21 | H21A | 109.5° | 109.4° |
| S2 | C21 | H21B | 109.4° | 109.5° |
| C4 | C3 | C6 | 113.0° | 112.5° |
| C3 | C6 | C5 | 112.4° | 115.8° |
| C3 | C6 | H6 | 123.8° | 122.1° |
| C7 | N3 | C9 | 112.6° | 110.9° |
| C7 | N3 | C12 | 110.9° | 111.0° |
| N3 | C7 | C5 | 124.2° | 109.4° |
| N3 | C7 | H7 | 104.8° | 109.5° |
| N3 | C7 | H7A | 104.8° | 109.5° |
| C9 | N3 | C12 | 114.3° | 111.3° |
| N3 | C9 | C10 | 108.4° | 109.3° |
| N3 | C9 | H9 | 109.8° | 109.5° |
| N3 | C9 | H9A | 109.8° | 109.5° |
| N3 | C12 | C11 | 108.4° | 109.3° |
| N3 | C12 | H12 | 109.8° | 109.5° |
| N3 | C12 | H12A | 109.8° | 109.5° |
| C13 | N4 | C16 | 110.4° | 110.7° |
| N4 | C13 | C14 | 106.9° | 109.2° |
| N4 | C13 | H13 | 110.4° | 109.5° |
| N4 | C13 | H13A | 110.4° | 109.5° |
| N4 | C16 | C15 | 103.9° | 109.3° |
| N4 | C16 | H16 | 111.4° | 109.4° |
| N4 | C16 | H16A | 111.4° | 109.5° |
| C6 | C5 | C7 | 123.1° | 124.6° |
| C5 | C6 | H6 | 123.8° | 122.1° |
| C5 | C7 | H7 | 104.8° | 109.5° |
| C5 | C7 | H7A | 104.8° | 109.4° |
| C10 | N5 | C11 | 111.2° | 118.3° |
| N5 | C10 | C9 | 107.8° | 108.5° |
| N5 | C10 | H10 | 110.0° | 109.6° |
| N5 | C10 | H10A | 110.0° | 109.6° |
| N5 | C11 | C12 | 107.2° | 108.5° |
| N5 | C11 | H11 | 110.2° | 109.7° |
| N5 | C11 | H11A | 110.3° | 109.7° |
| C17 | N6 | C18 | 122.4° | 121.7° |
| N6 | C17 | C8 | 120.1° | 120.7° |
| N6 | C17 | H17 | 120.0° | 119.6° |
| N6 | C18 | N7 | 118.9° | 119.6° |
| N6 | C18 | C20 | 120.3° | 120.9° |
| N7 | C18 | C20 | 120.8° | 119.6° |
| C18 | N7 | HN7 | 109.5° | 120.0° |
| C18 | N7 | HN7A | 109.5° | 120.0° |
| C17 | C8 | C19 | 118.6° | 119.1° |
| C8 | C17 | H17 | 120.0° | 119.7° |
| C8 | C19 | C20 | 120.1° | 118.4° |
| C8 | C19 | H19 | 119.9° | 120.8° |
| C10 | C9 | H9 | 109.8° | 109.4° |
| C10 | C9 | H9A | 109.8° | 109.5° |
| C9 | C10 | H10 | 110.0° | 109.6° |
| C9 | C10 | H10A | 110.0° | 109.7° |
| C12 | C11 | H11 | 110.2° | 109.6° |
| C12 | C11 | H11A | 110.2° | 109.6° |
| C11 | C12 | H12 | 109.8° | 109.5° |
| C11 | C12 | H12A | 109.8° | 109.5° |
| C14 | C13 | H13 | 110.3° | 109.5° |
| C14 | C13 | H13A | 110.3° | 109.5° |
| C13 | C14 | H14 | 108.9° | 109.5° |
| C13 | C14 | H14A | 108.9° | 109.5° |
| C16 | C15 | H15 | 108.5° | 109.5° |
| C16 | C15 | H15A | 108.5° | 109.5° |
| C15 | C16 | H16 | 111.4° | 109.5° |
| C15 | C16 | H16A | 111.3° | 109.6° |
| C18 | C20 | C19 | 118.6° | 119.2° |
| C18 | C20 | H20 | 120.7° | 120.4° |
| C20 | C19 | H19 | 120.0° | 120.8° |
| C19 | C20 | H20 | 120.7° | 120.4° |
| H7 | C7 | H7A | 113.7° | 109.5° |
| HN7 | N7 | HN7A | 109.4° | 120.1° |
| H9 | C9 | H9A | 109.2° | 109.6° |
| H10 | C10 | H10A | 108.9° | 109.8° |
| H11 | C11 | H11A | 108.7° | 109.8° |
| H12 | C12 | H12A | 109.1° | 109.5° |
| H13 | C13 | H13A | 108.6° | 109.6° |
| H14 | C14 | H14A | 110.0° | 109.6° |
| H15 | C15 | H15A | 110.4° | 109.6° |
| H16 | C16 | H16A | 107.5° | 109.5° |
| H21 | C21 | H21A | 109.4° | 109.5° |
| H21 | C21 | H21B | 109.5° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N2 | C8 | 179.2° | 179.7° |
| N1 | C1 | N2 | C2 | 1.4° | 0.1° |
| C1 | N1 | C3 | C4 | 0.1° | 0.0° |
| C1 | N1 | C3 | C6 | 179.9° | 180.0° |
| N1 | C1 | C8 | C17 | 19.3° | 180.0° |
| N1 | C1 | C8 | C19 | 159.8° | 0.0° |
| N2 | C1 | N1 | C3 | 0.4° | 0.0° |
| C1 | N2 | C2 | C4 | 2.0° | 0.1° |
| C1 | N2 | C2 | N4 | 176.3° | 180.0° |
| N2 | C1 | C8 | C17 | 161.5° | 0.3° |
| N2 | C1 | C8 | C19 | 19.4° | 179.7° |
| C8 | C1 | N1 | C3 | 179.6° | 179.8° |
| C8 | C1 | N2 | C2 | 179.4° | 179.8° |
| C1 | C8 | C17 | N6 | 179.6° | 179.9° |
| C1 | C8 | C17 | C19 | 179.1° | 179.9° |
| C1 | C8 | C19 | C20 | 179.6° | 180.0° |
| C1 | C8 | C17 | H17 | 0.4° | 0.0° |
| C1 | C8 | C19 | H19 | 0.4° | 0.0° |
| N1 | C3 | C4 | S1 | 179.7° | 180.0° |
| N1 | C3 | C4 | C2 | 0.9° | 0.0° |
| N1 | C3 | C4 | C6 | 179.8° | 180.0° |
| N1 | C3 | C6 | C5 | 178.7° | 179.9° |
| N1 | C3 | C6 | H6 | 1.3° | 0.0° |
| O1 | C14 | C13 | N4 | 55.3° | 56.9° |
| O1 | C14 | C13 | H14 | 120.0° | 119.9° |
| O1 | C14 | C13 | H14A | 120.0° | 119.9° |
| C14 | O1 | C15 | C16 | 53.1° | 58.7° |
| O1 | C14 | C13 | H13 | 64.7° | 63.1° |
| O1 | C14 | C13 | H13A | 175.3° | 176.8° |
| O1 | C14 | H14 | H14A | 119.3° | 120.1° |
| C14 | O1 | C15 | H15 | 173.1° | 178.6° |
| C14 | O1 | C15 | H15A | 66.9° | 61.2° |
| O1 | C15 | C16 | N4 | 58.0° | 56.9° |
| C15 | O1 | C14 | C13 | 50.8° | 58.7° |
| O1 | C15 | C16 | H15 | 120.0° | 119.9° |
| O1 | C15 | C16 | H15A | 120.0° | 119.9° |
| C15 | O1 | C14 | H14 | 69.2° | 61.2° |
| C15 | O1 | C14 | H14A | 170.8° | 178.6° |
| O1 | C15 | H15 | H15A | 118.8° | 120.1° |
| O1 | C15 | C16 | H16 | 178.0° | 176.7° |
| O1 | C15 | C16 | H16A | 62.0° | 63.1° |
| S1 | C4 | C2 | N2 | 179.6° | 180.0° |
| S1 | C4 | C2 | C3 | 178.6° | 180.0° |
| S1 | C4 | C2 | N4 | 5.8° | 0.0° |
| S1 | C4 | C3 | C6 | 0.5° | 0.0° |
| C4 | S1 | C5 | C6 | 1.4° | 0.1° |
| C4 | S1 | C5 | C7 | 176.4° | 180.0° |
| C5 | S1 | C4 | C2 | 178.3° | 180.0° |
| C5 | S1 | C4 | C3 | 0.5° | 0.0° |
| S1 | C5 | C6 | C3 | 1.9° | 0.1° |
| S1 | C5 | C7 | N3 | 84.2° | 89.9° |
| S1 | C5 | C6 | C7 | 174.9° | 179.9° |
| S1 | C5 | C6 | H6 | 178.1° | 180.0° |
| S1 | C5 | C7 | H7 | 155.8° | 150.0° |
| S1 | C5 | C7 | H7A | 35.8° | 30.0° |
| N2 | C2 | C4 | N4 | 173.8° | 179.9° |
| N2 | C2 | C4 | C3 | 1.8° | 0.0° |
| N2 | C2 | N4 | C13 | 6.4° | 0.0° |
| N2 | C2 | N4 | C16 | 143.3° | 123.6° |
| C2 | C4 | C3 | C6 | 179.3° | 180.0° |
| C4 | C2 | N4 | C13 | 179.9° | 179.9° |
| C4 | C2 | N4 | C16 | 43.0° | 56.4° |
| N4 | C2 | C4 | C3 | 175.6° | 180.0° |
| C2 | N4 | C13 | C16 | 141.4° | 123.7° |
| C2 | N4 | C13 | C14 | 152.1° | 177.6° |
| C2 | N4 | C16 | C15 | 155.3° | 177.6° |
| C2 | N4 | C13 | H13 | 87.9° | 62.5° |
| C2 | N4 | C13 | H13A | 32.1° | 57.7° |
| C2 | N4 | C16 | H16 | 35.3° | 57.7° |
| C2 | N4 | C16 | H16A | 84.7° | 62.4° |
| O2 | S2 | O3 | N5 | 119.0° | 116.7° |
| O2 | S2 | O3 | C21 | 119.0° | 131.5° |
| O2 | S2 | N5 | C21 | 119.6° | 116.1° |
| O2 | S2 | N5 | C10 | 46.6° | 153.9° |
| O2 | S2 | N5 | C11 | 171.4° | 26.1° |
| O2 | S2 | C21 | H21 | 180.0° | 68.4° |
| O2 | S2 | C21 | H21A | 60.0° | 171.7° |
| O2 | S2 | C21 | H21B | 60.0° | 51.7° |
| O3 | S2 | N5 | C21 | 121.1° | 116.1° |
| O3 | S2 | N5 | C10 | 166.0° | 26.1° |
| O3 | S2 | N5 | C11 | 69.2° | 153.9° |
| O3 | S2 | C21 | H21 | 59.7° | 68.4° |
| O3 | S2 | C21 | H21A | 60.3° | 51.6° |
| O3 | S2 | C21 | H21B | 179.7° | 171.6° |
| S2 | N5 | C10 | C11 | 124.6° | 180.0° |
| S2 | N5 | C10 | C9 | 171.6° | 128.8° |
| S2 | N5 | C11 | C12 | 170.3° | 128.8° |
| S2 | N5 | C10 | H10 | 68.4° | 111.5° |
| S2 | N5 | C10 | H10A | 51.6° | 9.1° |
| S2 | N5 | C11 | H11 | 50.3° | 9.1° |
| S2 | N5 | C11 | H11A | 69.7° | 111.5° |
| N5 | S2 | C21 | H21 | 59.5° | 180.0° |
| N5 | S2 | C21 | H21A | 179.5° | 60.0° |
| N5 | S2 | C21 | H21B | 60.5° | 59.9° |
| C21 | S2 | N5 | C10 | 73.0° | 90.0° |
| C21 | S2 | N5 | C11 | 51.9° | 90.0° |
| S2 | C21 | H21 | H21A | 120.0° | 120.0° |
| S2 | C21 | H21 | H21B | 120.0° | 120.1° |
| S2 | C21 | H21A | H21B | 120.0° | 120.0° |
| C4 | C3 | C6 | C5 | 1.5° | 0.0° |
| C4 | C3 | C6 | H6 | 178.5° | 180.0° |
| C3 | C6 | C5 | H6 | 180.0° | 180.0° |
| C3 | C6 | C5 | C7 | 176.8° | 180.0° |
| C7 | N3 | C9 | C12 | 127.7° | 124.2° |
| N3 | C7 | C5 | C6 | 101.1° | 90.1° |
| N3 | C7 | C5 | H7 | 120.0° | 120.0° |
| N3 | C7 | C5 | H7A | 120.0° | 120.0° |
| C7 | N3 | C9 | C10 | 175.4° | 172.7° |
| C7 | N3 | C12 | C11 | 173.6° | 172.8° |
| N3 | C7 | H7 | H7A | 113.9° | 120.0° |
| C7 | N3 | C9 | H9 | 64.6° | 67.4° |
| C7 | N3 | C9 | H9A | 55.4° | 52.8° |
| C7 | N3 | C12 | H12 | 53.6° | 52.9° |
| C7 | N3 | C12 | H12A | 66.4° | 67.3° |
| C9 | N3 | C7 | C5 | 55.6° | 170.0° |
| N3 | C9 | C10 | N5 | 57.0° | 53.8° |
| N3 | C9 | C10 | H9 | 120.0° | 119.9° |
| N3 | C9 | C10 | H9A | 120.0° | 120.0° |
| C9 | N3 | C12 | C11 | 57.8° | 63.1° |
| C9 | N3 | C7 | H7 | 175.6° | 50.0° |
| C9 | N3 | C7 | H7A | 64.4° | 70.1° |
| N3 | C9 | H9 | H9A | 120.4° | 120.2° |
| N3 | C9 | C10 | H10 | 63.0° | 65.9° |
| N3 | C9 | C10 | H10A | 177.0° | 173.5° |
| C9 | N3 | C12 | H12 | 177.8° | 177.0° |
| C9 | N3 | C12 | H12A | 62.2° | 56.8° |
| C12 | N3 | C7 | C5 | 73.9° | 65.7° |
| N3 | C12 | C11 | N5 | 58.4° | 53.9° |
| C12 | N3 | C9 | C10 | 56.9° | 63.1° |
| N3 | C12 | C11 | H12 | 120.0° | 119.9° |
| N3 | C12 | C11 | H12A | 120.0° | 120.0° |
| C12 | N3 | C7 | H7 | 46.1° | 174.3° |
| C12 | N3 | C7 | H7A | 166.1° | 54.2° |
| C12 | N3 | C9 | H9 | 63.1° | 56.8° |
| C12 | N3 | C9 | H9A | 176.9° | 177.0° |
| N3 | C12 | C11 | H11 | 178.4° | 173.6° |
| N3 | C12 | C11 | H11A | 61.6° | 65.9° |
| N3 | C12 | H12 | H12A | 120.5° | 120.1° |
| N4 | C13 | C14 | H13 | 120.0° | 119.9° |
| N4 | C13 | C14 | H13A | 120.0° | 119.9° |
| C13 | N4 | C16 | C15 | 66.2° | 58.7° |
| N4 | C13 | H13 | H13A | 121.1° | 120.1° |
| N4 | C13 | C14 | H14 | 64.7° | 63.1° |
| N4 | C13 | C14 | H14A | 175.3° | 176.8° |
| C13 | N4 | C16 | H16 | 173.8° | 178.6° |
| C13 | N4 | C16 | H16A | 53.8° | 61.3° |
| C16 | N4 | C13 | C14 | 66.4° | 58.7° |
| N4 | C16 | C15 | H16 | 120.0° | 119.9° |
| N4 | C16 | C15 | H16A | 120.0° | 120.0° |
| C16 | N4 | C13 | H13 | 53.6° | 61.2° |
| C16 | N4 | C13 | H13A | 173.6° | 178.6° |
| N4 | C16 | C15 | H15 | 178.0° | 176.8° |
| N4 | C16 | C15 | H15A | 61.9° | 63.0° |
| N4 | C16 | H16 | H16A | 122.3° | 120.1° |
| C6 | C5 | C7 | H7 | 18.9° | 29.9° |
| C6 | C5 | C7 | H7A | 138.9° | 149.9° |
| C7 | C5 | C6 | H6 | 3.2° | 0.1° |
| C5 | C7 | H7 | H7A | 113.9° | 120.0° |
| N5 | C10 | C9 | H10 | 120.0° | 119.7° |
| N5 | C10 | C9 | H10A | 120.0° | 119.7° |
| C10 | N5 | C11 | C12 | 64.4° | 51.2° |
| N5 | C10 | C9 | H9 | 63.0° | 66.1° |
| N5 | C10 | C9 | H9A | 177.0° | 173.8° |
| N5 | C10 | H10 | H10A | 120.7° | 120.5° |
| C10 | N5 | C11 | H11 | 175.6° | 170.9° |
| C10 | N5 | C11 | H11A | 55.6° | 68.5° |
| C11 | N5 | C10 | C9 | 63.8° | 51.2° |
| N5 | C11 | C12 | H11 | 120.0° | 119.7° |
| N5 | C11 | C12 | H11A | 120.0° | 119.7° |
| C11 | N5 | C10 | H10 | 56.2° | 68.5° |
| C11 | N5 | C10 | H10A | 176.2° | 170.9° |
| N5 | C11 | H11 | H11A | 121.0° | 120.6° |
| N5 | C11 | C12 | H12 | 178.5° | 173.8° |
| N5 | C11 | C12 | H12A | 61.5° | 66.2° |
| C17 | N6 | C18 | N7 | 179.9° | 180.0° |
| N6 | C17 | C8 | H17 | 180.0° | 180.0° |
| N6 | C17 | C8 | C19 | 0.5° | 0.0° |
| C17 | N6 | C18 | C20 | 0.1° | 0.1° |
| N6 | C18 | N7 | C20 | 180.0° | 179.9° |
| C18 | N6 | C17 | C8 | 0.2° | 0.1° |
| N6 | C18 | C20 | C19 | 0.1° | 0.0° |
| N6 | C18 | N7 | HN7 | 0.0° | 0.0° |
| N6 | C18 | N7 | HN7A | 120.0° | 179.9° |
| C18 | N6 | C17 | H17 | 179.8° | 180.0° |
| N6 | C18 | C20 | H20 | 179.9° | 180.0° |
| N7 | C18 | C20 | C19 | 179.9° | 179.9° |
| C18 | N7 | HN7 | HN7A | 120.0° | 179.9° |
| N7 | C18 | C20 | H20 | 0.1° | 0.1° |
| C17 | C8 | C19 | C20 | 0.5° | 0.0° |
| C17 | C8 | C19 | H19 | 179.5° | 180.0° |
| C8 | C19 | C20 | C18 | 0.2° | 0.0° |
| C8 | C19 | C20 | H19 | 180.0° | 180.0° |
| C19 | C8 | C17 | H17 | 179.6° | 180.0° |
| C8 | C19 | C20 | H20 | 179.8° | 179.9° |
| C10 | C9 | H9 | H9A | 120.4° | 120.0° |
| C9 | C10 | H10 | H10A | 120.7° | 120.5° |
| C12 | C11 | H11 | H11A | 120.9° | 120.4° |
| C11 | C12 | H12 | H12A | 120.4° | 120.0° |
| C14 | C13 | H13 | H13A | 121.0° | 120.1° |
| C13 | C14 | H14 | H14A | 119.3° | 120.1° |
| C16 | C15 | H15 | H15A | 118.8° | 120.1° |
| C15 | C16 | H16 | H16A | 122.2° | 120.2° |
| C18 | C20 | C19 | H20 | 180.0° | 180.0° |
| C20 | C18 | N7 | HN7 | 180.0° | 179.9° |
| C20 | C18 | N7 | HN7A | 60.0° | 0.0° |
| C18 | C20 | C19 | H19 | 179.8° | 180.0° |
| H9 | C9 | C10 | H10 | 177.0° | 174.2° |
| H9 | C9 | C10 | H10A | 57.0° | 53.6° |
| H9A | C9 | C10 | H10 | 57.0° | 54.1° |
| H9A | C9 | C10 | H10A | 63.0° | 66.5° |
| H11 | C11 | C12 | H12 | 61.6° | 66.5° |
| H11 | C11 | C12 | H12A | 58.4° | 53.6° |
| H11A | C11 | C12 | H12 | 58.4° | 54.0° |
| H11A | C11 | C12 | H12A | 178.4° | 174.1° |
| H13 | C13 | C14 | H14 | 175.3° | 177.0° |
| H13 | C13 | C14 | H14A | 55.3° | 56.9° |
| H13A | C13 | C14 | H14 | 55.4° | 56.8° |
| H13A | C13 | C14 | H14A | 64.7° | 63.3° |
| H15 | C15 | C16 | H16 | 62.0° | 63.3° |
| H15 | C15 | C16 | H16A | 58.0° | 56.8° |
| H15A | C15 | C16 | H16 | 58.1° | 56.9° |
| H15A | C15 | C16 | H16A | 178.1° | 177.0° |
| H19 | C19 | C20 | H20 | 0.2° | 0.1° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
