AL7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | S1 | sing | 1.76Å | 1.73Å | |
| C3 | S2 | sing | 1.79Å | 1.72Å | Aromatic |
| C3 | C4 | doub | 1.35Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.52Å | 1.54Å | |
| C9 | N8 | sing | 1.48Å | 1.46Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C10 | C5 | sing | 1.52Å | 1.53Å | |
| C10 | N15 | sing | 1.47Å | 1.46Å | |
| C10 | H10 | sing | 1.09Å | 1.12Å | |
| C16 | N15 | sing | 1.47Å | 1.46Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H163 | sing | 1.09Å | 1.12Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | O23 | sing | 1.36Å | 1.30Å | |
| C22 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C24 | O23 | sing | 1.43Å | 1.43Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C24 | H243 | sing | 1.09Å | 1.11Å | |
| N21 | S1 | sing | 1.65Å | 1.48Å | |
| N21 | HNL1 | sing | 0.97Å | 1.02Å | |
| N21 | HNL2 | sing | 0.97Å | 1.02Å | |
| S1 | O1A | doub | 1.42Å | 1.42Å | |
| S1 | O2A | doub | 1.42Å | 1.39Å | |
| S2 | C6 | sing | 1.76Å | 1.69Å | Aromatic |
| C6 | C5 | doub | 1.36Å | 1.40Å | Aromatic |
| C6 | S7 | sing | 1.75Å | 1.71Å | |
| C5 | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| N8 | S7 | sing | 1.68Å | 1.50Å | |
| N8 | C17 | sing | 1.40Å | 1.35Å | |
| S7 | O3B | doub | 1.42Å | 1.49Å | |
| S7 | O4B | doub | 1.42Å | 1.49Å | |
| N15 | HNF | sing | 1.01Å | 1.02Å | |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1 | C3 | S2 | 120.4° | 129.1° |
| S1 | C3 | C4 | 127.1° | 129.1° |
| C3 | S1 | N21 | 114.1° | 107.4° |
| C3 | S1 | O1A | 106.8° | 105.8° |
| C3 | S1 | O2A | 99.6° | 105.8° |
| S2 | C3 | C4 | 112.5° | 101.9° |
| C3 | S2 | C6 | 89.0° | 97.4° |
| C3 | C4 | C5 | 114.2° | 120.4° |
| C3 | C4 | H4 | 123.2° | 119.8° |
| C10 | C9 | N8 | 105.1° | 111.4° |
| C10 | C9 | H91 | 113.8° | 109.1° |
| C10 | C9 | H92 | 113.9° | 109.1° |
| C9 | C10 | C5 | 110.9° | 112.4° |
| C9 | C10 | N15 | 110.7° | 108.9° |
| C9 | C10 | H10 | 108.3° | 108.9° |
| N8 | C9 | H91 | 113.9° | 109.1° |
| N8 | C9 | H92 | 113.9° | 109.1° |
| C9 | N8 | S7 | 110.6° | 115.0° |
| C9 | N8 | C17 | 124.7° | 122.5° |
| H91 | C9 | H92 | 96.6° | 109.0° |
| C5 | C10 | N15 | 111.3° | 108.8° |
| C5 | C10 | H10 | 107.6° | 108.9° |
| C10 | C5 | C6 | 115.8° | 121.3° |
| C10 | C5 | C4 | 135.6° | 123.2° |
| N15 | C10 | H10 | 107.8° | 108.8° |
| C10 | N15 | C16 | 89.8° | 106.7° |
| C10 | N15 | HNF | 120.1° | 106.7° |
| N15 | C16 | H161 | 89.8° | 109.5° |
| N15 | C16 | H162 | 120.1° | 109.5° |
| N15 | C16 | H163 | 120.1° | 109.5° |
| C16 | N15 | HNF | 120.0° | 106.7° |
| H161 | C16 | H162 | 120.0° | 109.5° |
| H161 | C16 | H163 | 120.0° | 109.5° |
| H162 | C16 | H163 | 89.9° | 109.5° |
| C20 | C19 | C18 | 120.2° | 120.1° |
| C20 | C19 | H19 | 119.7° | 120.0° |
| C19 | C20 | C21 | 119.6° | 120.1° |
| C19 | C20 | H20 | 119.9° | 120.0° |
| C18 | C19 | H19 | 120.1° | 119.9° |
| C19 | C18 | C17 | 121.1° | 120.0° |
| C19 | C18 | H18 | 119.1° | 119.9° |
| C21 | C20 | H20 | 120.5° | 120.0° |
| C20 | C21 | C22 | 120.8° | 120.0° |
| C20 | C21 | O23 | 123.0° | 120.0° |
| C22 | C21 | O23 | 116.1° | 120.0° |
| C21 | C22 | C17 | 119.6° | 119.9° |
| C21 | C22 | H22 | 120.0° | 120.0° |
| C21 | O23 | C24 | 120.4° | 106.8° |
| C17 | C22 | H22 | 120.5° | 120.1° |
| C22 | C17 | N8 | 124.4° | 120.1° |
| C22 | C17 | C18 | 118.6° | 119.9° |
| O23 | C24 | H241 | 120.5° | 109.5° |
| O23 | C24 | H242 | 108.3° | 109.5° |
| O23 | C24 | H243 | 108.3° | 109.5° |
| H241 | C24 | H242 | 108.3° | 109.4° |
| H241 | C24 | H243 | 108.3° | 109.5° |
| H242 | C24 | H243 | 101.6° | 109.5° |
| S1 | N21 | HNL1 | 114.1° | 120.1° |
| S1 | N21 | HNL2 | 110.5° | 120.0° |
| N21 | S1 | O1A | 111.7° | 105.8° |
| N21 | S1 | O2A | 109.1° | 105.8° |
| HNL1 | N21 | HNL2 | 110.5° | 120.0° |
| O1A | S1 | O2A | 115.2° | 125.3° |
| S2 | C6 | C5 | 115.7° | 104.8° |
| S2 | C6 | S7 | 120.1° | 129.8° |
| C5 | C6 | S7 | 124.2° | 125.4° |
| C6 | C5 | C4 | 108.6° | 115.6° |
| C6 | S7 | N8 | 104.9° | 102.7° |
| C6 | S7 | O3B | 110.0° | 106.5° |
| C6 | S7 | O4B | 106.0° | 106.6° |
| C5 | C4 | H4 | 122.7° | 119.8° |
| S7 | N8 | C17 | 124.4° | 122.5° |
| N8 | S7 | O3B | 109.5° | 106.4° |
| N8 | S7 | O4B | 113.7° | 106.4° |
| N8 | C17 | C18 | 116.9° | 120.0° |
| O3B | S7 | O4B | 112.4° | 125.9° |
| C17 | C18 | H18 | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C3 | S2 | C4 | 179.4° | 179.9° |
| C3 | S1 | N21 | O1A | 121.1° | 112.6° |
| C3 | S1 | N21 | O2A | 110.4° | 112.6° |
| C3 | S1 | N21 | HNL1 | 180.0° | 179.9° |
| C3 | S1 | N21 | HNL2 | 54.7° | 0.0° |
| C3 | S1 | O1A | O2A | 109.6° | 123.1° |
| S1 | C3 | S2 | C6 | 179.2° | 179.8° |
| S1 | C3 | C4 | C5 | 179.4° | 179.8° |
| S1 | C3 | C4 | H4 | 0.6° | 0.3° |
| S2 | C3 | S1 | N21 | 161.3° | 90.1° |
| S2 | C3 | S1 | O1A | 74.8° | 22.6° |
| S2 | C3 | S1 | O2A | 45.3° | 157.3° |
| C3 | S2 | C6 | C5 | 0.4° | 0.6° |
| C3 | S2 | C6 | S7 | 178.9° | 179.3° |
| S2 | C3 | C4 | C5 | 0.0° | 0.1° |
| S2 | C3 | C4 | H4 | 180.0° | 179.8° |
| C3 | C4 | C5 | C10 | 176.6° | 178.4° |
| C4 | C3 | S1 | N21 | 18.0° | 90.0° |
| C4 | C3 | S1 | O1A | 105.8° | 157.4° |
| C4 | C3 | S1 | O2A | 134.0° | 22.6° |
| C4 | C3 | S2 | C6 | 0.3° | 0.3° |
| C3 | C4 | C5 | C6 | 0.3° | 0.6° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C10 | C9 | N8 | H91 | 125.2° | 120.5° |
| C10 | C9 | N8 | H92 | 125.3° | 120.5° |
| C10 | C9 | H91 | H92 | 119.7° | 119.1° |
| C9 | C10 | C5 | N15 | 123.8° | 120.7° |
| C9 | C10 | C5 | H10 | 118.3° | 120.8° |
| C9 | C10 | N15 | H10 | 118.3° | 118.6° |
| C9 | C10 | N15 | C16 | 105.2° | 82.2° |
| C9 | C10 | C5 | C6 | 29.1° | 26.1° |
| C9 | C10 | C5 | C4 | 154.2° | 154.9° |
| C10 | C9 | N8 | S7 | 79.9° | 65.7° |
| C10 | C9 | N8 | C17 | 105.9° | 114.2° |
| C9 | C10 | N15 | HNF | 129.6° | 164.0° |
| N8 | C9 | H91 | H92 | 119.8° | 119.0° |
| N8 | C9 | C10 | C5 | 66.1° | 57.9° |
| N8 | C9 | C10 | N15 | 58.0° | 178.6° |
| N8 | C9 | C10 | H10 | 176.0° | 62.8° |
| C9 | N8 | C17 | C22 | 128.9° | 150.3° |
| C9 | N8 | S7 | C6 | 49.8° | 36.8° |
| C9 | N8 | S7 | C17 | 174.2° | 179.9° |
| C9 | N8 | S7 | O3B | 68.3° | 74.9° |
| C9 | N8 | S7 | O4B | 165.1° | 148.7° |
| C9 | N8 | C17 | C18 | 54.3° | 29.9° |
| H91 | C9 | C10 | C5 | 168.7° | 62.6° |
| H91 | C9 | C10 | N15 | 67.2° | 58.1° |
| H91 | C9 | C10 | H10 | 50.8° | 176.7° |
| H91 | C9 | N8 | S7 | 154.9° | 54.8° |
| H91 | C9 | N8 | C17 | 19.3° | 125.3° |
| H92 | C9 | C10 | C5 | 59.2° | 178.4° |
| H92 | C9 | C10 | N15 | 176.6° | 60.9° |
| H92 | C9 | C10 | H10 | 58.6° | 57.6° |
| H92 | C9 | N8 | S7 | 45.4° | 173.8° |
| H92 | C9 | N8 | C17 | 128.8° | 6.3° |
| C5 | C10 | N15 | H10 | 117.8° | 118.5° |
| C5 | C10 | N15 | C16 | 130.9° | 154.9° |
| C10 | C5 | C6 | S2 | 177.0° | 178.3° |
| C10 | C5 | C6 | C4 | 177.5° | 179.0° |
| C10 | C5 | C6 | S7 | 3.6° | 1.8° |
| C10 | C5 | C4 | H4 | 3.5° | 1.7° |
| C5 | C10 | N15 | HNF | 5.7° | 41.1° |
| C10 | N15 | C16 | HNF | 125.3° | 113.8° |
| C10 | N15 | C16 | H161 | 180.0° | 175.7° |
| C10 | N15 | C16 | H162 | 54.8° | 64.2° |
| C10 | N15 | C16 | H163 | 54.8° | 55.8° |
| N15 | C10 | C5 | C6 | 94.7° | 146.8° |
| N15 | C10 | C5 | C4 | 82.0° | 34.2° |
| H10 | C10 | N15 | C16 | 13.1° | 36.4° |
| H10 | C10 | C5 | C6 | 147.4° | 94.7° |
| H10 | C10 | C5 | C4 | 36.0° | 84.3° |
| H10 | C10 | N15 | HNF | 112.1° | 77.4° |
| N15 | C16 | H161 | H162 | 125.3° | 120.0° |
| N15 | C16 | H161 | H163 | 125.3° | 120.0° |
| N15 | C16 | H162 | H163 | 125.4° | 120.0° |
| H161 | C16 | H162 | H163 | 125.2° | 120.0° |
| H161 | C16 | N15 | HNF | 54.7° | 70.4° |
| H162 | C16 | N15 | HNF | 70.5° | 49.6° |
| H163 | C16 | N15 | HNF | 180.0° | 169.6° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C19 | C20 | C21 | H20 | 179.9° | 179.9° |
| C19 | C20 | C21 | C22 | 0.4° | 0.4° |
| C19 | C20 | C21 | O23 | 176.8° | 179.9° |
| C20 | C19 | C18 | C17 | 0.2° | 0.1° |
| C20 | C19 | C18 | H18 | 179.8° | 180.0° |
| C18 | C19 | C20 | C21 | 0.2° | 0.0° |
| C18 | C19 | C20 | H20 | 179.9° | 179.9° |
| C19 | C18 | C17 | C22 | 0.4° | 0.2° |
| C19 | C18 | C17 | N8 | 176.6° | 180.0° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| H19 | C19 | C20 | C21 | 179.8° | 180.0° |
| H19 | C19 | C20 | H20 | 0.2° | 0.0° |
| H19 | C19 | C18 | C17 | 179.7° | 179.9° |
| H19 | C19 | C18 | H18 | 0.2° | 0.0° |
| C20 | C21 | C22 | O23 | 177.5° | 179.6° |
| C20 | C21 | C22 | C17 | 1.1° | 0.6° |
| C20 | C21 | C22 | H22 | 178.9° | 179.9° |
| C20 | C21 | O23 | C24 | 1.1° | 0.1° |
| H20 | C20 | C21 | C22 | 179.5° | 179.7° |
| H20 | C20 | C21 | O23 | 3.2° | 0.1° |
| C21 | C22 | C17 | H22 | 179.9° | 179.4° |
| C22 | C21 | O23 | C24 | 176.3° | 179.7° |
| C21 | C22 | C17 | N8 | 175.7° | 179.6° |
| C21 | C22 | C17 | C18 | 1.0° | 0.5° |
| O23 | C21 | C22 | C17 | 176.4° | 179.8° |
| O23 | C21 | C22 | H22 | 3.7° | 0.4° |
| C21 | O23 | C24 | H241 | 180.0° | 179.9° |
| C21 | O23 | C24 | H242 | 54.7° | 60.0° |
| C21 | O23 | C24 | H243 | 54.7° | 60.1° |
| C22 | C17 | N8 | S7 | 57.8° | 29.8° |
| C22 | C17 | N8 | C18 | 176.8° | 179.9° |
| C22 | C17 | C18 | H18 | 179.5° | 179.7° |
| H22 | C22 | C17 | N8 | 4.3° | 0.2° |
| H22 | C22 | C17 | C18 | 178.9° | 180.0° |
| O23 | C24 | H241 | H242 | 125.2° | 120.0° |
| O23 | C24 | H241 | H243 | 125.3° | 120.0° |
| O23 | C24 | H242 | H243 | 113.9° | 120.0° |
| H241 | C24 | H242 | H243 | 113.9° | 120.0° |
| S1 | N21 | HNL1 | HNL2 | 125.2° | 179.9° |
| N21 | S1 | O1A | O2A | 125.1° | 123.1° |
| HNL1 | N21 | S1 | O1A | 58.8° | 67.3° |
| HNL1 | N21 | S1 | O2A | 69.7° | 67.5° |
| HNL2 | N21 | S1 | O1A | 66.4° | 112.6° |
| HNL2 | N21 | S1 | O2A | 165.1° | 112.6° |
| S2 | C6 | C5 | S7 | 179.3° | 179.9° |
| S2 | C6 | C5 | C4 | 0.5° | 0.7° |
| S2 | C6 | S7 | N8 | 168.1° | 174.2° |
| S2 | C6 | S7 | O3B | 74.2° | 74.1° |
| S2 | C6 | S7 | O4B | 47.5° | 62.5° |
| C6 | C5 | C4 | H4 | 179.7° | 179.3° |
| C5 | C6 | S7 | N8 | 12.6° | 6.0° |
| C5 | C6 | S7 | O3B | 105.1° | 105.7° |
| C5 | C6 | S7 | O4B | 133.2° | 117.7° |
| S7 | C6 | C5 | C4 | 178.8° | 179.2° |
| C6 | S7 | N8 | O3B | 118.0° | 111.7° |
| C6 | S7 | N8 | O4B | 115.3° | 111.9° |
| C6 | S7 | N8 | C17 | 136.1° | 143.1° |
| C6 | S7 | O3B | O4B | 117.8° | 125.6° |
| N8 | S7 | O3B | O4B | 127.4° | 125.3° |
| S7 | N8 | C17 | C18 | 119.1° | 150.0° |
| C17 | N8 | S7 | O3B | 105.9° | 105.2° |
| C17 | N8 | S7 | O4B | 20.7° | 31.2° |
| N8 | C17 | C18 | H18 | 3.4° | 0.1° |
