QIN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | N3 | doub | 1.35Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.43Å | Aromatic |
| C15 | N2 | sing | 1.42Å | 1.43Å | |
| C16 | C17 | doub | 1.37Å | 1.43Å | Aromatic |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| C17 | C18 | sing | 1.37Å | 1.42Å | Aromatic |
| C17 | C34 | sing | 1.49Å | 1.47Å | |
| C18 | C19 | doub | 1.39Å | 1.44Å | Aromatic |
| C18 | H18 | sing | 1.09Å | 1.08Å | |
| C19 | N4 | sing | 1.43Å | 1.39Å | |
| C19 | N3 | sing | 1.35Å | 1.38Å | Aromatic |
| N4 | C29 | sing | 1.49Å | 1.48Å | |
| N4 | S1 | sing | 1.73Å | 1.64Å | |
| S1 | C22 | sing | 1.78Å | 1.80Å | |
| S1 | O1 | doub | 1.45Å | 1.44Å | |
| S1 | O2 | doub | 1.45Å | 1.42Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C34 | O4 | doub | 1.23Å | 1.22Å | |
| C34 | N35 | sing | 1.38Å | 1.35Å | |
| N35 | C36 | sing | 1.45Å | 1.47Å | |
| N35 | HN35 | sing | 1.01Å | 1.00Å | |
| C36 | C56 | sing | 1.54Å | 1.54Å | |
| C36 | C28 | sing | 1.55Å | 1.55Å | |
| C36 | H36 | sing | 1.10Å | 1.10Å | |
| C28 | C8 | sing | 1.54Å | 1.53Å | |
| C28 | N1 | sing | 1.47Å | 1.47Å | |
| C28 | H28 | sing | 1.10Å | 1.10Å | |
| C56 | C62 | sing | 1.51Å | 1.54Å | |
| C56 | H561 | sing | 1.10Å | 1.10Å | |
| C56 | H562 | sing | 1.10Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C61 | C64 | doub | 1.38Å | 1.38Å | Aromatic |
| C61 | C62 | sing | 1.41Å | 1.47Å | Aromatic |
| C61 | H61 | sing | 1.08Å | 1.08Å | |
| C62 | C63 | doub | 1.36Å | 1.46Å | Aromatic |
| C63 | S2 | sing | 1.71Å | 1.73Å | Aromatic |
| C63 | H63 | sing | 1.08Å | 1.08Å | |
| S2 | C64 | sing | 1.71Å | 1.70Å | Aromatic |
| C64 | H64 | sing | 1.08Å | 1.08Å | |
| C8 | C10 | sing | 1.54Å | 1.52Å | |
| C8 | H81 | sing | 1.10Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| N1 | HN11 | sing | 0.99Å | 1.00Å | |
| N1 | HN12 | sing | 0.99Å | 1.00Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C11 | C13 | sing | 1.52Å | 1.52Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.10Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| N2 | C5 | sing | 1.43Å | 1.49Å | |
| N2 | HN2 | sing | 1.00Å | 1.00Å | |
| C5 | C3 | sing | 1.49Å | 1.49Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C1 | C3 | sing | 1.50Å | 1.50Å | |
| C1 | C2 | sing | 1.50Å | 1.52Å | |
| C1 | H11 | sing | 1.08Å | 1.10Å | |
| C1 | H12 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.50Å | 1.50Å | |
| C2 | C4 | sing | 1.48Å | 1.49Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C15 | C16 | 118.7° | 124.0° |
| N3 | C15 | N2 | 118.1° | 118.7° |
| C15 | N3 | C19 | 125.8° | 116.4° |
| C16 | C15 | N2 | 123.2° | 117.2° |
| C15 | C16 | C17 | 117.2° | 116.8° |
| C15 | C16 | H16 | 121.4° | 121.3° |
| C15 | N2 | C5 | 122.9° | 122.7° |
| C15 | N2 | HN2 | 105.2° | 116.6° |
| C17 | C16 | H16 | 121.4° | 121.9° |
| C16 | C17 | C18 | 122.3° | 122.0° |
| C16 | C17 | C34 | 120.8° | 119.0° |
| C18 | C17 | C34 | 116.9° | 119.0° |
| C17 | C18 | C19 | 118.9° | 116.7° |
| C17 | C18 | H18 | 120.5° | 122.2° |
| C17 | C34 | O4 | 123.3° | 119.2° |
| C17 | C34 | N35 | 114.4° | 115.7° |
| C19 | C18 | H18 | 120.6° | 121.1° |
| C18 | C19 | N4 | 121.5° | 119.8° |
| C18 | C19 | N3 | 117.2° | 124.1° |
| N4 | C19 | N3 | 121.3° | 116.1° |
| C19 | N4 | C29 | 120.5° | 117.5° |
| C19 | N4 | S1 | 122.2° | 117.3° |
| C29 | N4 | S1 | 116.3° | 117.5° |
| N4 | C29 | H291 | 109.5° | 110.1° |
| N4 | C29 | H292 | 109.5° | 110.2° |
| N4 | C29 | H293 | 109.5° | 110.2° |
| N4 | S1 | C22 | 109.0° | 101.4° |
| N4 | S1 | O1 | 105.1° | 109.5° |
| N4 | S1 | O2 | 107.9° | 110.0° |
| C22 | S1 | O1 | 107.9° | 106.8° |
| C22 | S1 | O2 | 107.7° | 107.4° |
| S1 | C22 | H221 | 109.5° | 108.4° |
| S1 | C22 | H222 | 109.5° | 108.4° |
| S1 | C22 | H223 | 109.5° | 108.4° |
| O1 | S1 | O2 | 118.9° | 120.2° |
| H291 | C29 | H292 | 109.5° | 108.8° |
| H291 | C29 | H293 | 109.5° | 108.8° |
| H292 | C29 | H293 | 109.5° | 108.7° |
| O4 | C34 | N35 | 122.3° | 125.0° |
| C34 | N35 | C36 | 124.9° | 122.3° |
| C34 | N35 | HN35 | 117.6° | 120.8° |
| C36 | N35 | HN35 | 117.6° | 116.8° |
| N35 | C36 | C56 | 108.6° | 110.6° |
| N35 | C36 | C28 | 108.1° | 109.8° |
| N35 | C36 | H36 | 111.4° | 104.5° |
| C56 | C36 | C28 | 110.6° | 114.5° |
| C56 | C36 | H36 | 108.8° | 108.9° |
| C36 | C56 | C62 | 113.7° | 113.0° |
| C36 | C56 | H561 | 108.1° | 110.1° |
| C36 | C56 | H562 | 107.1° | 110.3° |
| C28 | C36 | H36 | 109.4° | 108.0° |
| C36 | C28 | C8 | 111.1° | 113.3° |
| C36 | C28 | N1 | 107.7° | 110.7° |
| C36 | C28 | H28 | 108.6° | 107.8° |
| C8 | C28 | N1 | 106.4° | 110.0° |
| C8 | C28 | H28 | 109.9° | 107.9° |
| C28 | C8 | C10 | 114.3° | 112.8° |
| C28 | C8 | H81 | 107.9° | 110.3° |
| C28 | C8 | H82 | 106.8° | 108.8° |
| N1 | C28 | H28 | 113.2° | 106.8° |
| C28 | N1 | HN11 | 109.5° | 117.7° |
| C28 | N1 | HN12 | 109.5° | 117.7° |
| C62 | C56 | H561 | 108.1° | 109.2° |
| C62 | C56 | H562 | 107.1° | 108.0° |
| C56 | C62 | C61 | 126.0° | 123.0° |
| C56 | C62 | C63 | 124.5° | 123.3° |
| H561 | C56 | H562 | 112.9° | 105.9° |
| H221 | C22 | H222 | 109.5° | 110.5° |
| H221 | C22 | H223 | 109.4° | 110.5° |
| H222 | C22 | H223 | 109.5° | 110.5° |
| C64 | C61 | C62 | 115.6° | 111.3° |
| C64 | C61 | H61 | 122.2° | 123.1° |
| C61 | C64 | S2 | 109.4° | 112.0° |
| C61 | C64 | H64 | 125.3° | 127.7° |
| C62 | C61 | H61 | 122.1° | 125.6° |
| C61 | C62 | C63 | 109.5° | 113.7° |
| C62 | C63 | S2 | 109.3° | 111.2° |
| C62 | C63 | H63 | 125.4° | 128.7° |
| S2 | C63 | H63 | 125.4° | 120.1° |
| C63 | S2 | C64 | 96.2° | 91.8° |
| S2 | C64 | H64 | 125.3° | 120.3° |
| C10 | C8 | H81 | 107.9° | 108.9° |
| C10 | C8 | H82 | 106.8° | 108.9° |
| C8 | C10 | C11 | 109.0° | 113.2° |
| C8 | C10 | H101 | 109.6° | 109.7° |
| C8 | C10 | H102 | 109.8° | 109.6° |
| H81 | C8 | H82 | 113.4° | 106.9° |
| HN11 | N1 | HN12 | 109.5° | 123.1° |
| C11 | C10 | H101 | 109.7° | 107.8° |
| C11 | C10 | H102 | 109.8° | 109.5° |
| C10 | C11 | C13 | 109.5° | 113.7° |
| C10 | C11 | H111 | 109.5° | 109.9° |
| C10 | C11 | H112 | 109.5° | 108.3° |
| H101 | C10 | H102 | 109.0° | 106.8° |
| C13 | C11 | H111 | 109.5° | 109.5° |
| C13 | C11 | H112 | 109.5° | 108.4° |
| C11 | C13 | H131 | 109.5° | 111.5° |
| C11 | C13 | H132 | 109.5° | 111.1° |
| C11 | C13 | H133 | 109.5° | 110.0° |
| H111 | C11 | H112 | 109.5° | 106.8° |
| H131 | C13 | H132 | 109.5° | 108.5° |
| H131 | C13 | H133 | 109.4° | 107.6° |
| H132 | C13 | H133 | 109.5° | 108.0° |
| C5 | N2 | HN2 | 105.2° | 120.7° |
| N2 | C5 | C3 | 109.2° | 111.2° |
| N2 | C5 | H51 | 109.5° | 107.7° |
| N2 | C5 | H52 | 109.6° | 107.8° |
| C3 | C5 | H51 | 109.6° | 110.5° |
| C3 | C5 | H52 | 109.6° | 110.8° |
| C5 | C3 | C1 | 117.1° | 118.9° |
| C5 | C3 | C2 | 119.6° | 118.9° |
| C5 | C3 | H3 | 92.1° | 111.9° |
| H51 | C5 | H52 | 109.2° | 108.8° |
| C3 | C1 | C2 | 59.6° | 59.9° |
| C3 | C1 | H11 | 131.2° | 117.4° |
| C3 | C1 | H12 | 136.2° | 118.7° |
| C1 | C3 | C2 | 61.0° | 60.2° |
| C1 | C3 | H3 | 135.6° | 118.6° |
| C2 | C1 | H11 | 131.1° | 118.5° |
| C2 | C1 | H12 | 136.2° | 117.6° |
| C1 | C2 | C3 | 59.4° | 59.9° |
| C1 | C2 | C4 | 115.7° | 119.2° |
| C1 | C2 | H2 | 137.0° | 118.1° |
| H11 | C1 | H12 | 74.4° | 114.2° |
| C3 | C2 | C4 | 119.7° | 119.0° |
| C3 | C2 | H2 | 133.6° | 119.2° |
| C2 | C3 | H3 | 133.5° | 119.5° |
| C4 | C2 | H2 | 92.8° | 112.3° |
| C2 | C4 | H41 | 109.5° | 110.6° |
| C2 | C4 | H42 | 109.5° | 110.5° |
| C2 | C4 | H43 | 109.4° | 110.5° |
| H41 | C4 | H42 | 109.5° | 108.4° |
| H41 | C4 | H43 | 109.4° | 108.4° |
| H42 | C4 | H43 | 109.5° | 108.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C15 | C16 | N2 | 176.7° | 179.9° |
| N3 | C15 | C16 | C17 | 0.2° | 0.1° |
| N3 | C15 | C16 | H16 | 179.8° | 180.0° |
| C15 | N3 | C19 | C18 | 1.4° | 0.0° |
| C15 | N3 | C19 | N4 | 179.6° | 180.0° |
| N3 | C15 | N2 | C5 | 179.5° | 180.0° |
| N3 | C15 | N2 | HN2 | 60.5° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 1.2° | 0.1° |
| C15 | C16 | C17 | C34 | 179.0° | 180.0° |
| C16 | C15 | N3 | C19 | 1.6° | 0.0° |
| C16 | C15 | N2 | C5 | 3.8° | 0.1° |
| C16 | C15 | N2 | HN2 | 116.2° | 179.9° |
| N2 | C15 | C16 | C17 | 176.5° | 180.0° |
| N2 | C15 | C16 | H16 | 3.5° | 0.1° |
| N2 | C15 | N3 | C19 | 175.3° | 180.0° |
| C15 | N2 | C5 | HN2 | 120.0° | 180.0° |
| C15 | N2 | C5 | C3 | 72.5° | 178.7° |
| C15 | N2 | C5 | H51 | 47.5° | 60.0° |
| C15 | N2 | C5 | H52 | 167.4° | 57.2° |
| C16 | C17 | C18 | C34 | 179.8° | 179.9° |
| C16 | C17 | C18 | C19 | 1.4° | 0.0° |
| C16 | C17 | C18 | H18 | 178.6° | 179.9° |
| C16 | C17 | C34 | O4 | 130.0° | 154.0° |
| C16 | C17 | C34 | N35 | 50.2° | 27.1° |
| H16 | C16 | C17 | C18 | 178.8° | 180.0° |
| H16 | C16 | C17 | C34 | 1.0° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | N4 | 178.1° | 180.0° |
| C17 | C18 | C19 | N3 | 0.1° | 0.0° |
| C18 | C17 | C34 | O4 | 49.9° | 25.9° |
| C18 | C17 | C34 | N35 | 129.9° | 153.0° |
| C34 | C17 | C18 | C19 | 178.8° | 179.9° |
| C34 | C17 | C18 | H18 | 1.2° | 0.0° |
| C17 | C34 | O4 | N35 | 179.8° | 178.8° |
| C17 | C34 | N35 | C36 | 163.9° | 178.8° |
| C17 | C34 | N35 | HN35 | 16.1° | 3.1° |
| C18 | C19 | N4 | N3 | 178.1° | 180.0° |
| C18 | C19 | N4 | C29 | 32.3° | 60.0° |
| C18 | C19 | N4 | S1 | 159.8° | 151.2° |
| H18 | C18 | C19 | N4 | 1.9° | 0.1° |
| H18 | C18 | C19 | N3 | 179.9° | 180.0° |
| C19 | N4 | C29 | S1 | 168.7° | 148.8° |
| C19 | N4 | S1 | C22 | 72.5° | 90.0° |
| C19 | N4 | S1 | O1 | 172.0° | 22.5° |
| C19 | N4 | S1 | O2 | 44.2° | 156.6° |
| C19 | N4 | C29 | H291 | 141.1° | 138.0° |
| C19 | N4 | C29 | H292 | 98.9° | 18.0° |
| C19 | N4 | C29 | H293 | 21.1° | 102.0° |
| N3 | C19 | N4 | C29 | 149.6° | 120.0° |
| N3 | C19 | N4 | S1 | 18.4° | 28.8° |
| C29 | N4 | S1 | C22 | 96.0° | 58.8° |
| C29 | N4 | S1 | O1 | 19.5° | 171.3° |
| C29 | N4 | S1 | O2 | 147.3° | 54.6° |
| N4 | C29 | H291 | H292 | 120.0° | 120.9° |
| N4 | C29 | H291 | H293 | 120.0° | 120.9° |
| N4 | C29 | H292 | H293 | 120.0° | 120.9° |
| N4 | S1 | C22 | O1 | 113.7° | 114.6° |
| N4 | S1 | C22 | O2 | 116.9° | 115.3° |
| N4 | S1 | O1 | O2 | 120.9° | 128.6° |
| S1 | N4 | C29 | H291 | 50.2° | 73.2° |
| S1 | N4 | C29 | H292 | 69.8° | 166.7° |
| S1 | N4 | C29 | H293 | 170.2° | 46.8° |
| N4 | S1 | C22 | H221 | 140.0° | 46.6° |
| N4 | S1 | C22 | H222 | 20.0° | 73.3° |
| N4 | S1 | C22 | H223 | 100.0° | 166.6° |
| C22 | S1 | O1 | O2 | 122.9° | 122.4° |
| S1 | C22 | H221 | H222 | 120.0° | 118.7° |
| S1 | C22 | H221 | H223 | 120.0° | 118.7° |
| S1 | C22 | H222 | H223 | 120.0° | 118.7° |
| O1 | S1 | C22 | H221 | 106.3° | 67.9° |
| O1 | S1 | C22 | H222 | 133.6° | 172.1° |
| O1 | S1 | C22 | H223 | 13.6° | 52.1° |
| O2 | S1 | C22 | H221 | 23.1° | 161.9° |
| O2 | S1 | C22 | H222 | 96.9° | 42.0° |
| O2 | S1 | C22 | H223 | 143.1° | 78.0° |
| H291 | C29 | H292 | H293 | 120.0° | 118.3° |
| O4 | C34 | N35 | C36 | 16.3° | 0.0° |
| O4 | C34 | N35 | HN35 | 163.7° | 175.8° |
| C34 | N35 | C36 | HN35 | 180.0° | 175.9° |
| C34 | N35 | C36 | C56 | 121.4° | 147.1° |
| C34 | N35 | C36 | C28 | 118.5° | 85.6° |
| C34 | N35 | C36 | H36 | 1.6° | 30.0° |
| N35 | C36 | C56 | C28 | 118.4° | 124.7° |
| N35 | C36 | C56 | H36 | 121.4° | 114.3° |
| N35 | C36 | C28 | H36 | 121.4° | 113.4° |
| N35 | C36 | C28 | C8 | 64.4° | 64.4° |
| N35 | C36 | C28 | N1 | 51.7° | 171.4° |
| N35 | C36 | C28 | H28 | 174.7° | 54.9° |
| N35 | C36 | C56 | C62 | 53.7° | 54.3° |
| N35 | C36 | C56 | H561 | 173.7° | 68.2° |
| N35 | C36 | C56 | H562 | 64.4° | 175.3° |
| HN35 | N35 | C36 | C56 | 58.5° | 28.8° |
| HN35 | N35 | C36 | C28 | 61.5° | 98.5° |
| HN35 | N35 | C36 | H36 | 178.4° | 145.9° |
| C56 | C36 | C28 | H36 | 119.9° | 121.5° |
| C56 | C36 | C28 | C8 | 176.9° | 60.7° |
| C56 | C36 | C28 | N1 | 67.0° | 63.5° |
| C56 | C36 | C28 | H28 | 55.9° | 180.0° |
| C36 | C56 | C62 | H561 | 120.0° | 122.9° |
| C36 | C56 | C62 | H562 | 118.1° | 122.3° |
| C36 | C56 | H561 | H562 | 118.2° | 119.2° |
| C36 | C56 | C62 | C61 | 57.3° | 57.2° |
| C36 | C56 | C62 | C63 | 119.3° | 122.9° |
| C36 | C28 | C8 | N1 | 116.9° | 124.6° |
| C36 | C28 | C8 | H28 | 120.2° | 119.3° |
| C36 | C28 | N1 | H28 | 120.0° | 117.1° |
| C28 | C36 | C56 | C62 | 172.1° | 179.0° |
| C28 | C36 | C56 | H561 | 67.9° | 56.5° |
| C28 | C36 | C56 | H562 | 54.0° | 60.0° |
| C36 | C28 | C8 | C10 | 68.5° | 179.3° |
| C36 | C28 | C8 | H81 | 51.5° | 58.7° |
| C36 | C28 | C8 | H82 | 173.7° | 58.2° |
| C36 | C28 | N1 | HN11 | 156.1° | 2.4° |
| C36 | C28 | N1 | HN12 | 36.1° | 164.2° |
| H36 | C36 | C28 | C8 | 57.0° | 177.8° |
| H36 | C36 | C28 | N1 | 173.1° | 58.1° |
| H36 | C36 | C28 | H28 | 64.0° | 58.5° |
| H36 | C36 | C56 | C62 | 67.7° | 60.0° |
| H36 | C36 | C56 | H561 | 52.3° | 177.5° |
| H36 | C36 | C56 | H562 | 174.2° | 61.0° |
| C8 | C28 | N1 | H28 | 120.8° | 116.8° |
| C28 | C8 | C10 | H81 | 120.0° | 122.8° |
| C28 | C8 | C10 | H82 | 117.8° | 121.0° |
| C28 | C8 | H81 | H82 | 118.0° | 118.2° |
| C8 | C28 | N1 | HN11 | 84.7° | 123.6° |
| C8 | C28 | N1 | HN12 | 155.3° | 69.8° |
| C28 | C8 | C10 | C11 | 171.7° | 177.1° |
| C28 | C8 | C10 | H101 | 51.6° | 62.4° |
| C28 | C8 | C10 | H102 | 68.1° | 54.6° |
| N1 | C28 | C8 | C10 | 174.6° | 56.2° |
| N1 | C28 | C8 | H81 | 65.4° | 65.9° |
| N1 | C28 | C8 | H82 | 56.7° | 177.2° |
| C28 | N1 | HN11 | HN12 | 120.0° | 165.8° |
| H28 | C28 | C8 | C10 | 51.7° | 60.0° |
| H28 | C28 | C8 | H81 | 171.7° | 178.0° |
| H28 | C28 | C8 | H82 | 66.1° | 61.0° |
| H28 | C28 | N1 | HN11 | 36.1° | 119.5° |
| H28 | C28 | N1 | HN12 | 83.9° | 47.0° |
| C62 | C56 | H561 | H562 | 118.3° | 116.1° |
| C56 | C62 | C61 | C64 | 177.1° | 179.9° |
| C56 | C62 | C61 | C63 | 177.0° | 179.9° |
| C56 | C62 | C61 | H61 | 2.9° | 0.0° |
| C56 | C62 | C63 | S2 | 177.8° | 179.9° |
| C56 | C62 | C63 | H63 | 2.2° | 0.0° |
| H561 | C56 | C62 | C61 | 62.7° | 179.9° |
| H561 | C56 | C62 | C63 | 120.7° | 0.0° |
| H562 | C56 | C62 | C61 | 175.4° | 65.1° |
| H562 | C56 | C62 | C63 | 1.2° | 114.8° |
| H221 | C22 | H222 | H223 | 119.9° | 122.6° |
| C64 | C61 | C62 | H61 | 180.0° | 180.0° |
| C64 | C61 | C62 | C63 | 0.1° | 0.0° |
| C61 | C64 | S2 | C63 | 0.9° | 0.0° |
| C61 | C64 | S2 | H64 | 180.0° | 180.0° |
| C61 | C62 | C63 | S2 | 0.7° | 0.1° |
| C61 | C62 | C63 | H63 | 179.2° | 179.9° |
| C62 | C61 | C64 | S2 | 0.7° | 0.0° |
| C62 | C61 | C64 | H64 | 179.4° | 180.0° |
| H61 | C61 | C62 | C63 | 179.9° | 179.9° |
| H61 | C61 | C64 | S2 | 179.3° | 180.0° |
| H61 | C61 | C64 | H64 | 0.6° | 0.0° |
| C62 | C63 | S2 | H63 | 180.0° | 180.0° |
| C62 | C63 | S2 | C64 | 1.0° | 0.1° |
| C63 | S2 | C64 | H64 | 179.1° | 179.9° |
| H63 | C63 | S2 | C64 | 179.0° | 179.9° |
| C10 | C8 | H81 | H82 | 118.0° | 117.5° |
| C8 | C10 | C11 | H101 | 120.0° | 121.5° |
| C8 | C10 | C11 | H102 | 120.2° | 122.7° |
| C8 | C10 | H101 | H102 | 120.2° | 118.8° |
| C8 | C10 | C11 | C13 | 167.5° | 178.5° |
| C8 | C10 | C11 | H111 | 72.5° | 55.4° |
| C8 | C10 | C11 | H112 | 47.5° | 60.9° |
| H81 | C8 | C10 | C11 | 68.3° | 60.1° |
| H81 | C8 | C10 | H101 | 171.6° | 60.4° |
| H81 | C8 | C10 | H102 | 51.9° | 177.3° |
| H82 | C8 | C10 | C11 | 53.8° | 56.2° |
| H82 | C8 | C10 | H101 | 66.2° | 176.6° |
| H82 | C8 | C10 | H102 | 174.1° | 66.4° |
| C11 | C10 | H101 | H102 | 120.2° | 117.5° |
| C10 | C11 | C13 | H111 | 120.0° | 123.3° |
| C10 | C11 | C13 | H112 | 120.0° | 120.5° |
| C10 | C11 | H111 | H112 | 120.0° | 117.3° |
| C10 | C11 | C13 | H131 | 83.6° | 66.5° |
| C10 | C11 | C13 | H132 | 36.5° | 54.6° |
| C10 | C11 | C13 | H133 | 156.5° | 174.2° |
| H101 | C10 | C11 | C13 | 47.5° | 60.0° |
| H101 | C10 | C11 | H111 | 167.5° | 176.9° |
| H101 | C10 | C11 | H112 | 72.5° | 60.6° |
| H102 | C10 | C11 | C13 | 72.2° | 55.8° |
| H102 | C10 | C11 | H111 | 47.8° | 67.3° |
| H102 | C10 | C11 | H112 | 167.8° | 176.4° |
| C13 | C11 | H111 | H112 | 120.0° | 117.2° |
| C11 | C13 | H131 | H132 | 120.0° | 122.6° |
| C11 | C13 | H131 | H133 | 120.0° | 120.8° |
| C11 | C13 | H132 | H133 | 120.0° | 120.7° |
| H111 | C11 | C13 | H131 | 36.5° | 56.8° |
| H111 | C11 | C13 | H132 | 156.5° | 177.9° |
| H111 | C11 | C13 | H133 | 83.5° | 62.5° |
| H112 | C11 | C13 | H131 | 156.4° | 172.9° |
| H112 | C11 | C13 | H132 | 83.6° | 65.9° |
| H112 | C11 | C13 | H133 | 36.4° | 53.6° |
| H131 | C13 | H132 | H133 | 119.9° | 116.3° |
| N2 | C5 | C3 | H51 | 120.0° | 119.6° |
| N2 | C5 | C3 | H52 | 120.1° | 119.8° |
| N2 | C5 | H51 | H52 | 120.1° | 116.6° |
| N2 | C5 | C3 | C1 | 166.3° | 179.6° |
| N2 | C5 | C3 | C2 | 96.0° | 110.5° |
| N2 | C5 | C3 | H3 | 48.4° | 35.3° |
| HN2 | N2 | C5 | C3 | 167.5° | 1.3° |
| HN2 | N2 | C5 | H51 | 72.5° | 119.9° |
| HN2 | N2 | C5 | H52 | 47.4° | 122.9° |
| C3 | C5 | H51 | H52 | 120.1° | 121.8° |
| C5 | C3 | C1 | C2 | 110.5° | 108.7° |
| C5 | C3 | C1 | H3 | 125.5° | 141.9° |
| C5 | C3 | C1 | H11 | 129.5° | 0.1° |
| C5 | C3 | C1 | H12 | 16.2° | 144.3° |
| C5 | C3 | C2 | H3 | 126.6° | 143.3° |
| C5 | C3 | C2 | C4 | 149.5° | 142.5° |
| C5 | C3 | C2 | H2 | 21.2° | 1.3° |
| H51 | C5 | C3 | C1 | 73.7° | 60.0° |
| H51 | C5 | C3 | C2 | 144.0° | 129.9° |
| H51 | C5 | C3 | H3 | 71.6° | 84.3° |
| H52 | C5 | C3 | C1 | 46.2° | 60.6° |
| H52 | C5 | C3 | C2 | 24.1° | 9.3° |
| H52 | C5 | C3 | H3 | 168.5° | 155.1° |
| C3 | C1 | C2 | H11 | 120.0° | 106.9° |
| C3 | C1 | C2 | H12 | 126.7° | 108.9° |
| C3 | C1 | H11 | H12 | 138.7° | 145.8° |
| C1 | C3 | C2 | H3 | 126.9° | 108.1° |
| C3 | C1 | C2 | C4 | 110.8° | 108.5° |
| C3 | C1 | C2 | H2 | 122.7° | 109.3° |
| C2 | C1 | H11 | H12 | 138.7° | 145.4° |
| C1 | C2 | C4 | H2 | 146.7° | 144.2° |
| C1 | C2 | C4 | H41 | 50.2° | 58.4° |
| C1 | C2 | C4 | H42 | 170.2° | 178.4° |
| C1 | C2 | C4 | H43 | 69.8° | 61.6° |
| H11 | C1 | C2 | C4 | 9.2° | 144.6° |
| H11 | C1 | C2 | H2 | 117.3° | 2.4° |
| H11 | C1 | C3 | H3 | 4.0° | 141.8° |
| H12 | C1 | C2 | C4 | 122.5° | 0.4° |
| H12 | C1 | C2 | H2 | 4.0° | 141.8° |
| H12 | C1 | C3 | H3 | 109.3° | 2.4° |
| C3 | C2 | C4 | H2 | 145.3° | 146.1° |
| C3 | C2 | C4 | H41 | 118.1° | 128.1° |
| C3 | C2 | C4 | H42 | 121.9° | 111.9° |
| C3 | C2 | C4 | H43 | 1.8° | 8.1° |
| C4 | C2 | C3 | H3 | 22.9° | 0.8° |
| C2 | C4 | H41 | H42 | 120.0° | 121.3° |
| C2 | C4 | H41 | H43 | 120.0° | 121.3° |
| C2 | C4 | H42 | H43 | 120.0° | 121.3° |
| H2 | C2 | C3 | H3 | 105.4° | 144.6° |
| H2 | C2 | C4 | H41 | 96.6° | 85.8° |
| H2 | C2 | C4 | H42 | 23.4° | 34.3° |
| H2 | C2 | C4 | H43 | 143.5° | 154.2° |
| H41 | C4 | H42 | H43 | 120.0° | 117.4° |
