IN7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C1 | N1 | sing | 1.40Å | 1.38Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C7 | C11 | sing | 1.53Å | 1.52Å | |
| C7 | C18 | sing | 1.53Å | 1.52Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C6 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| O2 | S | doub | 1.42Å | 1.43Å | |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | S | sing | 1.76Å | 1.77Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| O3 | C9 | sing | 1.34Å | 1.34Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| S | O1 | doub | 1.42Å | 1.42Å | |
| S | N2 | sing | 1.65Å | 1.72Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | C16 | sing | 1.51Å | 1.47Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C15 | N1 | sing | 1.47Å | 1.48Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| N1 | C18 | sing | 1.47Å | 1.47Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C10 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C12 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C14 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| N2 | C8 | sing | 1.46Å | 1.44Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C8 | C9 | sing | 1.51Å | 1.48Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | O4 | doub | 1.21Å | 1.18Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.7° | 119.9° |
| C2 | C1 | N1 | 118.7° | 120.1° |
| C1 | C2 | C3 | 120.5° | 119.9° |
| C1 | C2 | H2 | 120.3° | 120.1° |
| C6 | C1 | N1 | 121.6° | 120.0° |
| C1 | C6 | C5 | 120.2° | 119.9° |
| C1 | C6 | H6 | 120.2° | 120.1° |
| C1 | N1 | C15 | 119.9° | 106.7° |
| C1 | N1 | C18 | 120.4° | 106.7° |
| C3 | C2 | H2 | 119.2° | 120.1° |
| C2 | C3 | C4 | 119.1° | 120.1° |
| C2 | C3 | H3 | 120.3° | 120.0° |
| C4 | C3 | H3 | 120.6° | 119.9° |
| C3 | C4 | C5 | 121.7° | 120.1° |
| C3 | C4 | S | 116.2° | 119.9° |
| C11 | C7 | C18 | 113.1° | 109.2° |
| C11 | C7 | H71 | 110.9° | 109.5° |
| C11 | C7 | H72 | 110.9° | 109.5° |
| C7 | C11 | C13 | 120.9° | 108.9° |
| C7 | C11 | C16 | 119.2° | 109.6° |
| C7 | C11 | H11 | 89.7° | 109.6° |
| C18 | C7 | H71 | 110.8° | 109.5° |
| C18 | C7 | H72 | 110.9° | 109.5° |
| C7 | C18 | N1 | 115.6° | 109.8° |
| C7 | C18 | H181 | 110.0° | 109.4° |
| C7 | C18 | H182 | 110.0° | 109.4° |
| H71 | C7 | H72 | 99.4° | 109.6° |
| C5 | C6 | H6 | 119.7° | 119.9° |
| C6 | C5 | C4 | 118.6° | 120.1° |
| C6 | C5 | H5 | 120.7° | 120.0° |
| O2 | S | C4 | 109.9° | 105.8° |
| O2 | S | O1 | 120.6° | 125.3° |
| O2 | S | N2 | 106.5° | 105.8° |
| C5 | C4 | S | 122.1° | 119.9° |
| C4 | C5 | H5 | 120.7° | 119.9° |
| C4 | S | O1 | 107.0° | 105.8° |
| C4 | S | N2 | 112.9° | 107.4° |
| C9 | O3 | HO3 | 116.3° | 120.1° |
| O3 | C9 | C8 | 116.3° | 120.1° |
| O3 | C9 | O4 | 124.2° | 120.0° |
| O1 | S | N2 | 99.7° | 105.7° |
| S | N2 | C8 | 123.5° | 120.0° |
| S | N2 | HN2 | 107.2° | 119.9° |
| C13 | C11 | C16 | 119.4° | 109.5° |
| C13 | C11 | H11 | 88.3° | 109.5° |
| C11 | C13 | C15 | 113.2° | 109.2° |
| C11 | C13 | H131 | 110.8° | 109.5° |
| C11 | C13 | H132 | 110.8° | 109.5° |
| C16 | C11 | H11 | 99.6° | 109.7° |
| C11 | C16 | C14 | 119.2° | 120.0° |
| C11 | C16 | C17 | 120.3° | 120.0° |
| C15 | C13 | H131 | 110.8° | 109.5° |
| C15 | C13 | H132 | 110.9° | 109.5° |
| C13 | C15 | N1 | 115.7° | 109.8° |
| C13 | C15 | H151 | 110.0° | 109.4° |
| C13 | C15 | H152 | 110.0° | 109.4° |
| H131 | C13 | H132 | 99.5° | 109.6° |
| N1 | C15 | H151 | 109.9° | 109.4° |
| N1 | C15 | H152 | 109.9° | 109.4° |
| C15 | N1 | C18 | 119.0° | 107.3° |
| H151 | C15 | H152 | 100.3° | 109.3° |
| N1 | C18 | H181 | 110.0° | 109.4° |
| N1 | C18 | H182 | 110.0° | 109.5° |
| H181 | C18 | H182 | 100.2° | 109.4° |
| C12 | C10 | C19 | 121.4° | 120.0° |
| C12 | C10 | H10 | 119.2° | 120.0° |
| C10 | C12 | C14 | 119.1° | 120.0° |
| C10 | C12 | H12 | 120.3° | 120.0° |
| C19 | C10 | H10 | 119.4° | 120.0° |
| C10 | C19 | C17 | 119.5° | 120.0° |
| C10 | C19 | H19 | 120.3° | 120.0° |
| C14 | C12 | H12 | 120.6° | 120.0° |
| C12 | C14 | C16 | 120.1° | 120.0° |
| C12 | C14 | H14 | 119.9° | 120.0° |
| C16 | C14 | H14 | 120.0° | 120.0° |
| C14 | C16 | C17 | 120.5° | 120.0° |
| C16 | C17 | C19 | 119.4° | 120.0° |
| C16 | C17 | H17 | 120.4° | 120.0° |
| C19 | C17 | H17 | 120.2° | 120.0° |
| C17 | C19 | H19 | 120.2° | 120.0° |
| C8 | N2 | HN2 | 107.2° | 120.0° |
| N2 | C8 | C9 | 109.4° | 109.5° |
| N2 | C8 | H81 | 112.3° | 109.4° |
| N2 | C8 | H82 | 112.3° | 109.5° |
| C9 | C8 | H81 | 112.2° | 109.4° |
| C9 | C8 | H82 | 112.2° | 109.4° |
| C8 | C9 | O4 | 119.4° | 119.9° |
| H81 | C8 | H82 | 98.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | N1 | 178.8° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.9° | 0.0° |
| C1 | C2 | C3 | H3 | 178.0° | 180.0° |
| C2 | C1 | C6 | C5 | 2.7° | 0.3° |
| C2 | C1 | C6 | H6 | 177.3° | 180.0° |
| C2 | C1 | N1 | C15 | 1.8° | 180.0° |
| C2 | C1 | N1 | C18 | 171.7° | 65.5° |
| C6 | C1 | C2 | C3 | 2.2° | 0.0° |
| C6 | C1 | C2 | H2 | 177.8° | 180.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.8° |
| C1 | C6 | C5 | C4 | 1.0° | 0.6° |
| C1 | C6 | C5 | H5 | 179.0° | 180.0° |
| C6 | C1 | N1 | C15 | 177.0° | 0.0° |
| C6 | C1 | N1 | C18 | 7.1° | 114.5° |
| N1 | C1 | C2 | C3 | 178.9° | 179.9° |
| N1 | C1 | C2 | H2 | 1.1° | 0.0° |
| C1 | N1 | C18 | C7 | 147.9° | 179.7° |
| N1 | C1 | C6 | C5 | 178.5° | 179.8° |
| N1 | C1 | C6 | H6 | 1.5° | 0.0° |
| C1 | N1 | C15 | C13 | 147.5° | 179.7° |
| C1 | N1 | C15 | C18 | 170.1° | 114.1° |
| C1 | N1 | C15 | H151 | 22.2° | 60.2° |
| C1 | N1 | C15 | H152 | 87.3° | 59.6° |
| C1 | N1 | C18 | H181 | 86.8° | 59.7° |
| C1 | N1 | C18 | H182 | 22.6° | 60.1° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 5.8° | 0.3° |
| C2 | C3 | C4 | S | 172.6° | 180.0° |
| H2 | C2 | C3 | C4 | 178.1° | 180.0° |
| H2 | C2 | C3 | H3 | 1.9° | 0.0° |
| C3 | C4 | C5 | C6 | 5.3° | 0.6° |
| C3 | C4 | S | O2 | 159.0° | 22.7° |
| C3 | C4 | C5 | S | 178.3° | 179.7° |
| C3 | C4 | C5 | H5 | 174.7° | 180.0° |
| C3 | C4 | S | O1 | 26.5° | 157.4° |
| C3 | C4 | S | N2 | 82.3° | 90.0° |
| H3 | C3 | C4 | C5 | 174.2° | 179.7° |
| H3 | C3 | C4 | S | 7.4° | 0.0° |
| C11 | C7 | C18 | H71 | 125.3° | 119.9° |
| C11 | C7 | C18 | H72 | 125.3° | 119.9° |
| C11 | C7 | H71 | H72 | 116.8° | 120.1° |
| C7 | C11 | C13 | C16 | 171.3° | 119.8° |
| C7 | C11 | C13 | H11 | 88.6° | 119.8° |
| C7 | C11 | C16 | H11 | 95.0° | 120.3° |
| C7 | C11 | C13 | C15 | 34.1° | 55.6° |
| C7 | C11 | C13 | H131 | 91.1° | 64.3° |
| C7 | C11 | C13 | H132 | 159.4° | 175.5° |
| C11 | C7 | C18 | N1 | 35.7° | 61.4° |
| C11 | C7 | C18 | H181 | 89.6° | 58.7° |
| C11 | C7 | C18 | H182 | 161.0° | 178.4° |
| C7 | C11 | C16 | C14 | 130.3° | 120.6° |
| C7 | C11 | C16 | C17 | 47.8° | 59.1° |
| C18 | C7 | H71 | H72 | 116.7° | 120.1° |
| C18 | C7 | C11 | C13 | 33.8° | 55.6° |
| C18 | C7 | C11 | C16 | 154.8° | 175.4° |
| C18 | C7 | C11 | H11 | 54.0° | 64.2° |
| C7 | C18 | N1 | C15 | 42.1° | 65.6° |
| C7 | C18 | N1 | H181 | 125.3° | 120.0° |
| C7 | C18 | N1 | H182 | 125.3° | 120.1° |
| C7 | C18 | H181 | H182 | 115.8° | 119.8° |
| H71 | C7 | C11 | C13 | 159.1° | 64.4° |
| H71 | C7 | C11 | C16 | 29.6° | 55.5° |
| H71 | C7 | C11 | H11 | 71.2° | 175.9° |
| H71 | C7 | C18 | N1 | 161.0° | 58.6° |
| H71 | C7 | C18 | H181 | 35.7° | 178.6° |
| H71 | C7 | C18 | H182 | 73.7° | 61.6° |
| H72 | C7 | C11 | C13 | 91.5° | 175.5° |
| H72 | C7 | C11 | C16 | 79.9° | 64.7° |
| H72 | C7 | C11 | H11 | 179.3° | 55.7° |
| H72 | C7 | C18 | N1 | 89.6° | 178.8° |
| H72 | C7 | C18 | H181 | 145.1° | 61.2° |
| H72 | C7 | C18 | H182 | 35.8° | 58.6° |
| C6 | C5 | C4 | H5 | 180.0° | 179.4° |
| C6 | C5 | C4 | S | 173.0° | 179.7° |
| H6 | C6 | C5 | C4 | 179.0° | 179.7° |
| H6 | C6 | C5 | H5 | 1.0° | 0.2° |
| O2 | S | C4 | C5 | 19.3° | 157.0° |
| O2 | S | C4 | O1 | 132.5° | 134.7° |
| O2 | S | C4 | N2 | 118.7° | 112.7° |
| O2 | S | O1 | N2 | 115.8° | 123.2° |
| O2 | S | N2 | C8 | 44.2° | 172.6° |
| O2 | S | N2 | HN2 | 169.4° | 7.3° |
| C5 | C4 | S | O1 | 151.9° | 22.3° |
| C5 | C4 | S | N2 | 99.4° | 90.3° |
| S | C4 | C5 | H5 | 7.0° | 0.3° |
| C4 | S | O1 | N2 | 117.8° | 113.7° |
| C4 | S | N2 | C8 | 76.5° | 59.9° |
| C4 | S | N2 | HN2 | 48.8° | 120.0° |
| O3 | C9 | C8 | N2 | 44.5° | 180.0° |
| O3 | C9 | C8 | O4 | 178.5° | 180.0° |
| O3 | C9 | C8 | H81 | 169.7° | 60.0° |
| O3 | C9 | C8 | H82 | 80.8° | 60.0° |
| HO3 | O3 | C9 | C8 | 180.0° | 180.0° |
| HO3 | O3 | C9 | O4 | 1.6° | 0.0° |
| O1 | S | N2 | C8 | 170.3° | 52.6° |
| O1 | S | N2 | HN2 | 64.5° | 127.4° |
| S | N2 | C8 | HN2 | 125.3° | 180.0° |
| S | N2 | C8 | C9 | 87.7° | 180.0° |
| S | N2 | C8 | H81 | 37.6° | 60.1° |
| S | N2 | C8 | H82 | 147.0° | 60.0° |
| C13 | C11 | C16 | H11 | 93.5° | 120.2° |
| C11 | C13 | C15 | H131 | 125.3° | 119.8° |
| C11 | C13 | C15 | H132 | 125.2° | 119.9° |
| C11 | C13 | H131 | H132 | 116.7° | 120.1° |
| C11 | C13 | C15 | N1 | 36.3° | 61.3° |
| C11 | C13 | C15 | H151 | 161.5° | 178.5° |
| C11 | C13 | C15 | H152 | 88.9° | 58.8° |
| C13 | C11 | C16 | C14 | 41.2° | 120.0° |
| C13 | C11 | C16 | C17 | 140.7° | 60.3° |
| C16 | C11 | C13 | C15 | 154.5° | 175.4° |
| C16 | C11 | C13 | H131 | 80.2° | 55.5° |
| C16 | C11 | C13 | H132 | 29.3° | 64.7° |
| C11 | C16 | C14 | C12 | 176.8° | 180.0° |
| C11 | C16 | C14 | C17 | 178.1° | 179.7° |
| C11 | C16 | C14 | H14 | 3.2° | 0.0° |
| C11 | C16 | C17 | C19 | 176.2° | 179.8° |
| C11 | C16 | C17 | H17 | 3.8° | 0.3° |
| H11 | C11 | C13 | C15 | 54.5° | 64.3° |
| H11 | C11 | C13 | H131 | 179.7° | 175.8° |
| H11 | C11 | C13 | H132 | 70.8° | 55.7° |
| H11 | C11 | C16 | C14 | 134.6° | 0.2° |
| H11 | C11 | C16 | C17 | 47.3° | 179.5° |
| C15 | C13 | H131 | H132 | 116.7° | 120.2° |
| C13 | C15 | N1 | H151 | 125.3° | 120.1° |
| C13 | C15 | N1 | H152 | 125.2° | 120.1° |
| C13 | C15 | H151 | H152 | 115.8° | 119.8° |
| C13 | C15 | N1 | C18 | 42.5° | 65.6° |
| H131 | C13 | C15 | N1 | 89.0° | 58.5° |
| H131 | C13 | C15 | H151 | 36.3° | 61.7° |
| H131 | C13 | C15 | H152 | 145.8° | 178.6° |
| H132 | C13 | C15 | N1 | 161.5° | 178.7° |
| H132 | C13 | C15 | H151 | 73.3° | 58.6° |
| H132 | C13 | C15 | H152 | 36.3° | 61.1° |
| N1 | C15 | H151 | H152 | 115.7° | 119.8° |
| C15 | N1 | C18 | H181 | 83.2° | 54.4° |
| C15 | N1 | C18 | H182 | 167.4° | 174.3° |
| H151 | C15 | N1 | C18 | 167.7° | 174.3° |
| H152 | C15 | N1 | C18 | 82.8° | 54.5° |
| N1 | C18 | H181 | H182 | 115.8° | 119.9° |
| C12 | C10 | C19 | H10 | 180.0° | 180.0° |
| C10 | C12 | C14 | H12 | 180.0° | 180.0° |
| C10 | C12 | C14 | C16 | 0.1° | 0.0° |
| C10 | C12 | C14 | H14 | 179.9° | 180.0° |
| C12 | C10 | C19 | C17 | 0.4° | 0.1° |
| C12 | C10 | C19 | H19 | 179.6° | 180.0° |
| C19 | C10 | C12 | C14 | 1.0° | 0.1° |
| C19 | C10 | C12 | H12 | 179.1° | 179.9° |
| C10 | C19 | C17 | C16 | 1.0° | 0.4° |
| C10 | C19 | C17 | H19 | 180.0° | 179.9° |
| C10 | C19 | C17 | H17 | 179.0° | 179.9° |
| H10 | C10 | C12 | C14 | 179.0° | 179.9° |
| H10 | C10 | C12 | H12 | 0.9° | 0.0° |
| H10 | C10 | C19 | C17 | 179.6° | 179.9° |
| H10 | C10 | C19 | H19 | 0.4° | 0.0° |
| C12 | C14 | C16 | H14 | 180.0° | 180.0° |
| C12 | C14 | C16 | C17 | 1.3° | 0.3° |
| H12 | C12 | C14 | C16 | 179.9° | 180.0° |
| H12 | C12 | C14 | H14 | 0.1° | 0.0° |
| C14 | C16 | C17 | C19 | 1.8° | 0.5° |
| C14 | C16 | C17 | H17 | 178.1° | 180.0° |
| H14 | C14 | C16 | C17 | 178.7° | 179.7° |
| C16 | C17 | C19 | H17 | 180.0° | 179.5° |
| C16 | C17 | C19 | H19 | 179.0° | 179.7° |
| H17 | C17 | C19 | H19 | 1.1° | 0.2° |
| N2 | C8 | C9 | H81 | 125.3° | 120.0° |
| N2 | C8 | C9 | H82 | 125.3° | 120.1° |
| N2 | C8 | H81 | H82 | 118.2° | 120.0° |
| N2 | C8 | C9 | O4 | 134.1° | 0.0° |
| HN2 | N2 | C8 | C9 | 37.5° | 0.0° |
| HN2 | N2 | C8 | H81 | 162.8° | 120.0° |
| HN2 | N2 | C8 | H82 | 87.7° | 120.0° |
| C9 | C8 | H81 | H82 | 118.1° | 119.9° |
| H81 | C8 | C9 | O4 | 8.8° | 120.0° |
| H82 | C8 | C9 | O4 | 100.6° | 120.0° |
