ZMA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | O4 | sing | 1.36Å | 1.36Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| N10 | C9 | sing | 1.46Å | 1.47Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C11 | N10 | sing | 1.38Å | 1.33Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| N12 | C11 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | N13 | sing | 1.34Å | 1.34Å | Aromatic |
| C18 | N12 | sing | 1.34Å | 1.34Å | Aromatic |
| C14 | N13 | doub | 1.32Å | 1.34Å | Aromatic |
| N16 | C14 | sing | 1.36Å | 1.39Å | Aromatic |
| C14 | N15 | sing | 1.37Å | 1.33Å | |
| N15 | HN15 | sing | 0.97Å | 1.00Å | |
| N15 | HN1A | sing | 0.97Å | 1.00Å | |
| N17 | N16 | sing | 1.40Å | 1.23Å | Aromatic |
| C18 | N16 | sing | 1.37Å | 1.39Å | Aromatic |
| C20 | N17 | doub | 1.32Å | 1.33Å | Aromatic |
| N19 | C18 | doub | 1.32Å | 1.33Å | Aromatic |
| C20 | N19 | sing | 1.34Å | 1.33Å | Aromatic |
| C21 | C20 | sing | 1.48Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.36Å | 1.33Å | Aromatic |
| O25 | C21 | sing | 1.35Å | 1.36Å | Aromatic |
| C23 | C22 | sing | 1.41Å | 1.33Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | doub | 1.35Å | 1.33Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | O25 | sing | 1.34Å | 1.37Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C1 | C2 | 120.0° | 120.1° |
| C7 | C1 | H1 | 120.0° | 120.0° |
| C1 | C7 | C6 | 120.0° | 120.1° |
| C1 | C7 | C8 | 120.0° | 119.9° |
| C2 | C1 | H1 | 120.0° | 119.9° |
| C1 | C2 | C3 | 120.0° | 119.9° |
| C1 | C2 | H2 | 120.0° | 120.1° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | C5 | 120.0° | 119.9° |
| C2 | C3 | O4 | 120.3° | 120.1° |
| C5 | C3 | O4 | 119.7° | 120.0° |
| C3 | C5 | C6 | 120.1° | 119.9° |
| C3 | C5 | H5 | 120.0° | 120.1° |
| C3 | O4 | HO4 | 109.5° | 114.0° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | C7 | 120.0° | 120.1° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C7 | C6 | H6 | 120.0° | 120.0° |
| C6 | C7 | C8 | 120.0° | 120.0° |
| C7 | C8 | C9 | 109.5° | 109.5° |
| C7 | C8 | H8 | 109.5° | 109.4° |
| C7 | C8 | H8A | 109.4° | 109.5° |
| C9 | C8 | H8 | 109.4° | 109.5° |
| C9 | C8 | H8A | 109.4° | 109.5° |
| C8 | C9 | N10 | 110.8° | 109.5° |
| C8 | C9 | H9 | 109.0° | 109.4° |
| C8 | C9 | H9A | 108.8° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| N10 | C9 | H9 | 109.1° | 109.5° |
| N10 | C9 | H9A | 108.7° | 109.4° |
| C9 | N10 | C11 | 115.1° | 120.0° |
| C9 | N10 | HN10 | 107.7° | 120.0° |
| H9 | C9 | H9A | 110.5° | 109.5° |
| C11 | N10 | HN10 | 107.6° | 120.0° |
| N10 | C11 | N12 | 121.6° | 119.4° |
| N10 | C11 | N13 | 117.2° | 119.4° |
| N12 | C11 | N13 | 121.2° | 121.2° |
| C11 | N12 | C18 | 120.0° | 120.1° |
| C11 | N13 | C14 | 121.3° | 120.7° |
| N12 | C18 | N16 | 119.9° | 119.1° |
| N12 | C18 | N19 | 133.5° | 133.4° |
| N13 | C14 | N16 | 118.9° | 119.4° |
| N13 | C14 | N15 | 120.2° | 120.3° |
| N16 | C14 | N15 | 120.9° | 120.3° |
| C14 | N16 | N17 | 132.6° | 134.0° |
| C14 | N16 | C18 | 118.7° | 119.5° |
| C14 | N15 | HN15 | 109.5° | 120.0° |
| C14 | N15 | HN1A | 109.4° | 119.9° |
| HN15 | N15 | HN1A | 109.5° | 120.0° |
| N17 | N16 | C18 | 108.7° | 106.5° |
| N16 | N17 | C20 | 109.6° | 107.0° |
| N16 | C18 | N19 | 106.6° | 107.6° |
| N17 | C20 | N19 | 108.9° | 109.3° |
| N17 | C20 | C21 | 124.9° | 125.3° |
| C18 | N19 | C20 | 106.2° | 109.6° |
| N19 | C20 | C21 | 126.2° | 125.3° |
| C20 | C21 | C22 | 128.9° | 125.9° |
| C20 | C21 | O25 | 122.2° | 125.9° |
| C22 | C21 | O25 | 108.9° | 108.1° |
| C21 | C22 | C23 | 108.0° | 106.7° |
| C21 | C22 | H22 | 126.0° | 126.6° |
| C21 | O25 | C24 | 106.2° | 109.5° |
| C23 | C22 | H22 | 126.0° | 126.6° |
| C22 | C23 | C24 | 109.2° | 107.0° |
| C22 | C23 | H23 | 125.4° | 126.5° |
| C24 | C23 | H23 | 125.4° | 126.5° |
| C23 | C24 | O25 | 107.7° | 108.6° |
| C23 | C24 | H24 | 126.1° | 125.7° |
| O25 | C24 | H24 | 126.1° | 125.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C1 | C2 | H1 | 180.0° | 179.7° |
| C7 | C1 | C2 | C3 | 0.3° | 0.3° |
| C7 | C1 | C2 | H2 | 179.7° | 179.7° |
| C1 | C7 | C6 | C5 | 0.4° | 0.6° |
| C1 | C7 | C6 | C8 | 178.9° | 179.5° |
| C1 | C7 | C6 | H6 | 179.6° | 179.7° |
| C1 | C7 | C8 | C9 | 43.2° | 90.0° |
| C1 | C7 | C8 | H8 | 76.8° | 150.0° |
| C1 | C7 | C8 | H8A | 163.2° | 30.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C5 | 0.1° | 0.0° |
| C1 | C2 | C3 | O4 | 180.0° | 180.0° |
| C2 | C1 | C7 | C6 | 0.6° | 0.6° |
| C2 | C1 | C7 | C8 | 179.5° | 180.0° |
| H1 | C1 | C2 | C3 | 179.7° | 179.9° |
| H1 | C1 | C2 | H2 | 0.3° | 0.0° |
| H1 | C1 | C7 | C6 | 179.4° | 179.8° |
| H1 | C1 | C7 | C8 | 0.5° | 0.3° |
| C2 | C3 | C5 | O4 | 179.9° | 180.0° |
| C2 | C3 | O4 | HO4 | 31.5° | 90.0° |
| C2 | C3 | C5 | C6 | 0.2° | 0.0° |
| C2 | C3 | C5 | H5 | 179.8° | 180.0° |
| H2 | C2 | C3 | C5 | 179.9° | 180.0° |
| H2 | C2 | C3 | O4 | 0.0° | 0.0° |
| C5 | C3 | O4 | HO4 | 148.6° | 90.0° |
| C3 | C5 | C6 | H5 | 180.0° | 179.9° |
| C3 | C5 | C6 | C7 | 0.0° | 0.3° |
| C3 | C5 | C6 | H6 | 180.0° | 180.0° |
| O4 | C3 | C5 | C6 | 179.9° | 180.0° |
| O4 | C3 | C5 | H5 | 0.1° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 179.7° |
| C5 | C6 | C7 | C8 | 179.3° | 179.9° |
| H5 | C5 | C6 | C7 | 179.9° | 179.7° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| C6 | C7 | C8 | C9 | 135.7° | 89.4° |
| C6 | C7 | C8 | H8 | 104.3° | 30.5° |
| C6 | C7 | C8 | H8A | 15.7° | 150.6° |
| H6 | C6 | C7 | C8 | 0.7° | 0.2° |
| C7 | C8 | C9 | H8 | 120.0° | 119.9° |
| C7 | C8 | C9 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8A | 120.0° | 120.0° |
| C7 | C8 | C9 | N10 | 176.1° | 180.0° |
| C7 | C8 | C9 | H9 | 56.1° | 60.0° |
| C7 | C8 | C9 | H9A | 64.4° | 60.0° |
| C9 | C8 | H8 | H8A | 120.0° | 120.0° |
| C8 | C9 | N10 | H9 | 120.0° | 120.0° |
| C8 | C9 | N10 | H9A | 119.5° | 120.0° |
| C8 | C9 | H9 | H9A | 119.5° | 120.0° |
| C8 | C9 | N10 | C11 | 91.6° | 180.0° |
| C8 | C9 | N10 | HN10 | 148.4° | 0.0° |
| H8 | C8 | C9 | N10 | 63.8° | 60.0° |
| H8 | C8 | C9 | H9 | 176.1° | 179.9° |
| H8 | C8 | C9 | H9A | 55.6° | 59.9° |
| H8A | C8 | C9 | N10 | 56.2° | 60.0° |
| H8A | C8 | C9 | H9 | 63.8° | 60.0° |
| H8A | C8 | C9 | H9A | 175.6° | 180.0° |
| N10 | C9 | H9 | H9A | 119.4° | 120.0° |
| C9 | N10 | C11 | HN10 | 120.0° | 179.9° |
| C9 | N10 | C11 | N12 | 178.5° | 179.7° |
| C9 | N10 | C11 | N13 | 0.0° | 0.0° |
| H9 | C9 | N10 | C11 | 28.4° | 60.0° |
| H9 | C9 | N10 | HN10 | 91.6° | 119.9° |
| H9A | C9 | N10 | C11 | 148.9° | 60.0° |
| H9A | C9 | N10 | HN10 | 28.9° | 120.0° |
| N10 | C11 | N12 | N13 | 178.4° | 179.7° |
| N10 | C11 | N12 | C18 | 179.3° | 180.0° |
| N10 | C11 | N13 | C14 | 179.6° | 180.0° |
| HN10 | N10 | C11 | N12 | 58.5° | 0.2° |
| HN10 | N10 | C11 | N13 | 120.0° | 179.9° |
| N12 | C11 | N13 | C14 | 1.2° | 0.3° |
| C11 | N12 | C18 | N16 | 0.3° | 0.0° |
| C11 | N12 | C18 | N19 | 179.7° | 180.0° |
| N13 | C11 | N12 | C18 | 0.9° | 0.3° |
| C11 | N13 | C14 | N16 | 0.8° | 0.0° |
| C11 | N13 | C14 | N15 | 179.4° | 179.9° |
| N12 | C18 | N16 | C14 | 0.0° | 0.3° |
| N12 | C18 | N16 | N17 | 179.9° | 180.0° |
| N12 | C18 | N16 | N19 | 180.0° | 180.0° |
| N12 | C18 | N19 | C20 | 179.9° | 179.7° |
| N13 | C14 | N16 | N15 | 179.7° | 180.0° |
| N13 | C14 | N15 | HN15 | 21.3° | 0.0° |
| N13 | C14 | N15 | HN1A | 141.3° | 180.0° |
| N13 | C14 | N16 | N17 | 179.9° | 180.0° |
| N13 | C14 | N16 | C18 | 0.3° | 0.3° |
| N16 | C14 | N15 | HN15 | 158.5° | 180.0° |
| N16 | C14 | N15 | HN1A | 38.5° | 0.1° |
| C14 | N16 | N17 | C18 | 179.9° | 179.7° |
| C14 | N16 | N17 | C20 | 179.9° | 179.9° |
| C14 | N16 | C18 | N19 | 180.0° | 179.7° |
| C14 | N15 | HN15 | HN1A | 120.0° | 180.0° |
| N15 | C14 | N16 | N17 | 0.1° | 0.1° |
| N15 | C14 | N16 | C18 | 180.0° | 179.8° |
| N17 | N16 | C18 | N19 | 0.1° | 0.0° |
| N16 | N17 | C20 | N19 | 0.3° | 0.4° |
| N16 | N17 | C20 | C21 | 179.7° | 180.0° |
| C18 | N16 | N17 | C20 | 0.3° | 0.2° |
| N16 | C18 | N19 | C20 | 0.1° | 0.3° |
| N17 | C20 | N19 | C18 | 0.3° | 0.4° |
| N17 | C20 | N19 | C21 | 179.4° | 179.6° |
| N17 | C20 | C21 | C22 | 179.2° | 180.0° |
| N17 | C20 | C21 | O25 | 0.8° | 0.3° |
| C18 | N19 | C20 | C21 | 179.6° | 180.0° |
| N19 | C20 | C21 | C22 | 1.5° | 0.5° |
| N19 | C20 | C21 | O25 | 178.5° | 179.2° |
| C20 | C21 | C22 | O25 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 180.0° | 180.0° |
| C20 | C21 | C22 | H22 | 0.0° | 0.0° |
| C20 | C21 | O25 | C24 | 179.9° | 179.8° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.0° | 0.0° |
| C21 | C22 | C23 | H23 | 180.0° | 180.0° |
| C22 | C21 | O25 | C24 | 0.1° | 0.5° |
| O25 | C21 | C22 | C23 | 0.1° | 0.3° |
| O25 | C21 | C22 | H22 | 179.9° | 179.7° |
| C21 | O25 | C24 | C23 | 0.1° | 0.5° |
| C21 | O25 | C24 | H24 | 179.9° | 179.9° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | O25 | 0.0° | 0.3° |
| C22 | C23 | C24 | H24 | 180.0° | 179.9° |
| H22 | C22 | C23 | C24 | 180.0° | 180.0° |
| H22 | C22 | C23 | H23 | 0.0° | 0.0° |
| C23 | C24 | O25 | H24 | 180.0° | 179.6° |
| H23 | C23 | C24 | O25 | 180.0° | 179.7° |
| H23 | C23 | C24 | H24 | 0.0° | 0.1° |
