A1H15
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N18 | C15 | doub | 1.30Å | 1.32Å | |
| C15 | N16 | sing | 1.38Å | 1.31Å | |
| C15 | N14 | sing | 1.38Å | 1.36Å | |
| N14 | C13 | sing | 1.38Å | 1.36Å | |
| C13 | N12 | sing | 1.37Å | 1.26Å | |
| C13 | N17 | doub | 1.30Å | 1.32Å | |
| N12 | C1 | sing | 1.46Å | 1.39Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C2 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.77Å | |
| N9 | S8 | sing | 1.66Å | 1.59Å | |
| O11 | S8 | doub | 1.42Å | 1.46Å | |
| S8 | O10 | doub | 1.42Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| N9 | H7 | sing | 0.97Å | 1.00Å | |
| N9 | H8 | sing | 0.97Å | 1.00Å | |
| N12 | H9 | sing | 0.97Å | 1.00Å | |
| N14 | H10 | sing | 0.97Å | 1.00Å | |
| N16 | H11 | sing | 0.97Å | 1.00Å | |
| N16 | H12 | sing | 0.97Å | 1.00Å | |
| N17 | H13 | sing | 0.97Å | 1.00Å | |
| N18 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N18 | C15 | N16 | 123.9° | 120.0° |
| N18 | C15 | N14 | 114.8° | 120.0° |
| C15 | N18 | H14 | 112.0° | 120.0° |
| N16 | C15 | N14 | 119.2° | 120.0° |
| C15 | N16 | H11 | 120.0° | 120.0° |
| C15 | N16 | H12 | 120.0° | 120.0° |
| C15 | N14 | C13 | 124.4° | 120.1° |
| C15 | N14 | H10 | 117.8° | 120.0° |
| N14 | C13 | N12 | 107.8° | 120.0° |
| N14 | C13 | N17 | 130.6° | 120.0° |
| C13 | N14 | H10 | 117.8° | 120.0° |
| N12 | C13 | N17 | 121.5° | 120.0° |
| C13 | N12 | C1 | 109.8° | 120.0° |
| C13 | N12 | H9 | 125.1° | 120.0° |
| C13 | N17 | H13 | 112.0° | 120.0° |
| N12 | C1 | C2 | 107.3° | 109.5° |
| N12 | C1 | H1 | 110.0° | 109.4° |
| N12 | C1 | H2 | 110.0° | 109.5° |
| C1 | N12 | H9 | 125.1° | 120.0° |
| C1 | C2 | C7 | 118.0° | 120.0° |
| C1 | C2 | C3 | 121.2° | 120.0° |
| C2 | C1 | H1 | 110.0° | 109.5° |
| C2 | C1 | H2 | 110.0° | 109.5° |
| C7 | C2 | C3 | 120.4° | 120.0° |
| C2 | C7 | C6 | 120.5° | 120.0° |
| C2 | C7 | H6 | 119.7° | 120.0° |
| C2 | C3 | C4 | 119.8° | 120.0° |
| C2 | C3 | H3 | 120.1° | 120.0° |
| C7 | C6 | C5 | 119.3° | 120.0° |
| C7 | C6 | H5 | 120.4° | 120.0° |
| C6 | C7 | H6 | 119.8° | 120.0° |
| C3 | C4 | C5 | 119.4° | 120.0° |
| C4 | C3 | H3 | 120.1° | 120.0° |
| C3 | C4 | H4 | 120.3° | 120.0° |
| C6 | C5 | C4 | 120.5° | 120.0° |
| C6 | C5 | S8 | 119.0° | 120.0° |
| C5 | C6 | H5 | 120.3° | 120.0° |
| C4 | C5 | S8 | 120.3° | 120.0° |
| C5 | C4 | H4 | 120.3° | 120.1° |
| C5 | S8 | N9 | 107.4° | 107.2° |
| C5 | S8 | O11 | 106.1° | 106.4° |
| C5 | S8 | O10 | 106.3° | 106.4° |
| N9 | S8 | O11 | 109.1° | 106.4° |
| N9 | S8 | O10 | 111.0° | 106.4° |
| S8 | N9 | H7 | 109.5° | 120.0° |
| S8 | N9 | H8 | 109.5° | 120.1° |
| O11 | S8 | O10 | 116.4° | 123.1° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H7 | N9 | H8 | 109.4° | 120.0° |
| H11 | N16 | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N18 | C15 | N16 | N14 | 162.5° | 180.0° |
| N18 | C15 | N14 | C13 | 63.0° | 173.4° |
| N18 | C15 | N14 | H10 | 116.9° | 6.6° |
| N18 | C15 | N16 | H11 | 162.5° | 147.6° |
| N18 | C15 | N16 | H12 | 17.5° | 32.5° |
| N16 | C15 | N14 | C13 | 132.9° | 6.5° |
| N16 | C15 | N14 | H10 | 47.1° | 173.5° |
| C15 | N16 | H11 | H12 | 180.0° | 180.0° |
| N16 | C15 | N18 | H14 | 163.2° | 180.0° |
| C15 | N14 | C13 | H10 | 180.0° | 180.0° |
| C15 | N14 | C13 | N12 | 138.1° | 173.8° |
| C15 | N14 | C13 | N17 | 38.0° | 6.1° |
| N14 | C15 | N16 | H11 | 0.0° | 32.5° |
| N14 | C15 | N16 | H12 | 180.0° | 147.5° |
| N14 | C15 | N18 | H14 | 0.0° | 0.0° |
| N14 | C13 | N12 | N17 | 176.5° | 180.0° |
| N14 | C13 | N12 | C1 | 117.7° | 180.0° |
| N14 | C13 | N12 | H9 | 62.3° | 0.0° |
| N14 | C13 | N17 | H13 | 175.6° | 179.9° |
| C13 | N12 | C1 | H9 | 180.0° | 180.0° |
| C13 | N12 | C1 | C2 | 117.4° | 180.0° |
| C13 | N12 | C1 | H1 | 2.3° | 60.0° |
| C13 | N12 | C1 | H2 | 123.0° | 60.0° |
| N12 | C13 | N14 | H10 | 41.9° | 6.2° |
| N12 | C13 | N17 | H13 | 0.0° | 0.0° |
| N17 | C13 | N12 | C1 | 65.7° | 0.0° |
| N17 | C13 | N12 | H9 | 114.3° | 180.0° |
| N17 | C13 | N14 | H10 | 142.0° | 173.9° |
| N12 | C1 | C2 | H1 | 119.7° | 120.0° |
| N12 | C1 | C2 | H2 | 119.7° | 120.1° |
| N12 | C1 | C2 | C7 | 113.1° | 90.0° |
| N12 | C1 | C2 | C3 | 73.1° | 89.7° |
| N12 | C1 | H1 | H2 | 121.0° | 120.0° |
| C1 | C2 | C7 | C3 | 173.8° | 179.7° |
| C1 | C2 | C7 | C6 | 170.1° | 179.8° |
| C1 | C2 | C3 | C4 | 172.1° | 180.0° |
| C2 | C1 | H1 | H2 | 121.0° | 120.0° |
| C1 | C2 | C3 | H3 | 7.9° | 0.1° |
| C1 | C2 | C7 | H6 | 9.9° | 0.1° |
| C2 | C1 | N12 | H9 | 62.6° | 0.0° |
| C2 | C7 | C6 | H6 | 180.0° | 179.7° |
| C7 | C2 | C3 | C4 | 1.5° | 0.3° |
| C2 | C7 | C6 | C5 | 4.6° | 0.5° |
| C7 | C2 | C1 | H1 | 127.3° | 150.0° |
| C7 | C2 | C1 | H2 | 6.6° | 30.1° |
| C7 | C2 | C3 | H3 | 178.5° | 179.7° |
| C2 | C7 | C6 | H5 | 175.4° | 179.7° |
| C3 | C2 | C7 | C6 | 3.7° | 0.5° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C3 | C2 | C1 | H1 | 46.5° | 30.3° |
| C3 | C2 | C1 | H2 | 167.2° | 150.2° |
| C2 | C3 | C4 | H4 | 179.8° | 180.0° |
| C3 | C2 | C7 | H6 | 176.2° | 179.7° |
| C7 | C6 | C5 | H5 | 180.0° | 179.8° |
| C7 | C6 | C5 | C4 | 3.3° | 0.3° |
| C7 | C6 | C5 | S8 | 177.9° | 179.8° |
| C3 | C4 | C5 | C6 | 1.1° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | S8 | 175.6° | 180.0° |
| C6 | C5 | C4 | S8 | 174.5° | 179.9° |
| C6 | C5 | S8 | N9 | 135.2° | 90.0° |
| C6 | C5 | S8 | O11 | 18.6° | 156.4° |
| C6 | C5 | S8 | O10 | 105.9° | 23.5° |
| C6 | C5 | C4 | H4 | 178.9° | 180.0° |
| C5 | C6 | C7 | H6 | 175.4° | 179.8° |
| C4 | C5 | S8 | N9 | 50.1° | 90.1° |
| C4 | C5 | S8 | O11 | 166.7° | 23.5° |
| C4 | C5 | S8 | O10 | 68.7° | 156.4° |
| C5 | C4 | C3 | H3 | 179.8° | 180.0° |
| C4 | C5 | C6 | H5 | 176.7° | 179.9° |
| C5 | S8 | N9 | O11 | 114.6° | 113.6° |
| C5 | S8 | N9 | O10 | 115.8° | 113.6° |
| C5 | S8 | O11 | O10 | 118.1° | 123.0° |
| S8 | C5 | C4 | H4 | 4.4° | 0.1° |
| S8 | C5 | C6 | H5 | 2.1° | 0.0° |
| C5 | S8 | N9 | H7 | 180.0° | 0.1° |
| C5 | S8 | N9 | H8 | 60.0° | 180.0° |
| N9 | S8 | O11 | O10 | 126.5° | 122.9° |
| S8 | N9 | H7 | H8 | 120.0° | 179.9° |
| O11 | S8 | N9 | H7 | 65.4° | 113.5° |
| O11 | S8 | N9 | H8 | 54.6° | 66.4° |
| O10 | S8 | N9 | H7 | 64.2° | 113.6° |
| O10 | S8 | N9 | H8 | 175.9° | 66.5° |
| H1 | C1 | N12 | H9 | 177.7° | 120.0° |
| H2 | C1 | N12 | H9 | 57.0° | 120.0° |
| H3 | C3 | C4 | H4 | 0.2° | 0.1° |
| H5 | C6 | C7 | H6 | 4.6° | 0.1° |
