ZEA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C14 | sing | 1.43Å | 1.42Å | |
| O16 | H16 | sing | 0.97Å | 0.95Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C13 | C15 | sing | 1.51Å | 1.50Å | |
| C13 | C12 | doub | 1.31Å | 1.35Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C15 | H153 | sing | 1.09Å | 1.11Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C11 | N10 | sing | 1.46Å | 1.45Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| N10 | C6 | sing | 1.38Å | 1.36Å | |
| N10 | H10 | sing | 0.97Å | 1.02Å | |
| C6 | C5 | doub | 1.41Å | 1.50Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C5 | N9 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.34Å | Aromatic |
| N9 | C8 | doub | 1.30Å | 1.38Å | Aromatic |
| C4 | N7 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| N7 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| N7 | H7 | sing | 0.97Å | 1.02Å | |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | O16 | H16 | 110.4° | 114.0° |
| O16 | C14 | C13 | 110.4° | 109.4° |
| O16 | C14 | H141 | 111.9° | 109.5° |
| O16 | C14 | H142 | 111.9° | 109.5° |
| C13 | C14 | H141 | 111.9° | 109.4° |
| C13 | C14 | H142 | 111.9° | 109.5° |
| C14 | C13 | C15 | 118.8° | 120.0° |
| C14 | C13 | C12 | 119.1° | 120.0° |
| H141 | C14 | H142 | 98.5° | 109.5° |
| C15 | C13 | C12 | 122.1° | 120.0° |
| C13 | C15 | H151 | 118.8° | 109.5° |
| C13 | C15 | H152 | 108.8° | 109.5° |
| C13 | C15 | H153 | 108.8° | 109.5° |
| C13 | C12 | C11 | 125.0° | 120.0° |
| C13 | C12 | H12 | 117.5° | 120.0° |
| H151 | C15 | H152 | 108.8° | 109.5° |
| H151 | C15 | H153 | 108.9° | 109.5° |
| H152 | C15 | H153 | 101.2° | 109.5° |
| C11 | C12 | H12 | 117.5° | 120.0° |
| C12 | C11 | N10 | 109.7° | 109.5° |
| C12 | C11 | H111 | 112.1° | 109.5° |
| C12 | C11 | H112 | 112.2° | 109.4° |
| N10 | C11 | H111 | 112.1° | 109.5° |
| N10 | C11 | H112 | 112.1° | 109.5° |
| C11 | N10 | C6 | 126.0° | 120.0° |
| C11 | N10 | H10 | 117.0° | 120.0° |
| H111 | C11 | H112 | 98.3° | 109.5° |
| C6 | N10 | H10 | 117.0° | 120.0° |
| N10 | C6 | C5 | 124.6° | 120.8° |
| N10 | C6 | N1 | 117.8° | 120.8° |
| C5 | C6 | N1 | 117.5° | 118.4° |
| C6 | C5 | N9 | 134.8° | 134.7° |
| C6 | C5 | C4 | 116.9° | 118.2° |
| C6 | N1 | C2 | 121.3° | 121.3° |
| N9 | C5 | C4 | 108.3° | 107.1° |
| C5 | N9 | C8 | 103.8° | 109.4° |
| C5 | C4 | N7 | 112.5° | 106.0° |
| C5 | C4 | N3 | 122.5° | 119.1° |
| N9 | C8 | N7 | 113.6° | 110.0° |
| N9 | C8 | H8 | 123.2° | 125.0° |
| N7 | C4 | N3 | 125.0° | 134.9° |
| C4 | N7 | C8 | 101.7° | 107.4° |
| C4 | N7 | H7 | 129.1° | 126.3° |
| C4 | N3 | C2 | 120.2° | 120.7° |
| C8 | N7 | H7 | 129.2° | 126.3° |
| N7 | C8 | H8 | 123.2° | 125.0° |
| N3 | C2 | N1 | 121.6° | 122.4° |
| N3 | C2 | H2 | 119.2° | 118.8° |
| N1 | C2 | H2 | 119.2° | 118.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C14 | C13 | H141 | 125.3° | 119.9° |
| O16 | C14 | C13 | H142 | 125.3° | 120.0° |
| O16 | C14 | H141 | H142 | 117.8° | 120.1° |
| O16 | C14 | C13 | C15 | 142.0° | 180.0° |
| O16 | C14 | C13 | C12 | 38.2° | 0.1° |
| H16 | O16 | C14 | C13 | 180.0° | 180.0° |
| H16 | O16 | C14 | H141 | 54.7° | 60.1° |
| H16 | O16 | C14 | H142 | 54.7° | 60.0° |
| C13 | C14 | H141 | H142 | 117.8° | 120.0° |
| C14 | C13 | C15 | C12 | 179.8° | 179.9° |
| C14 | C13 | C15 | H151 | 180.0° | 5.1° |
| C14 | C13 | C15 | H152 | 54.7° | 114.9° |
| C14 | C13 | C15 | H153 | 54.7° | 125.0° |
| C14 | C13 | C12 | C11 | 179.3° | 174.5° |
| C14 | C13 | C12 | H12 | 0.7° | 5.6° |
| H141 | C14 | C13 | C15 | 92.7° | 60.0° |
| H141 | C14 | C13 | C12 | 87.1° | 120.0° |
| H142 | C14 | C13 | C15 | 16.7° | 60.0° |
| H142 | C14 | C13 | C12 | 163.5° | 119.9° |
| C13 | C15 | H151 | H152 | 125.2° | 120.0° |
| C13 | C15 | H151 | H153 | 125.3° | 120.0° |
| C13 | C15 | H152 | H153 | 114.5° | 120.0° |
| C15 | C13 | C12 | C11 | 0.5° | 5.4° |
| C15 | C13 | C12 | H12 | 179.6° | 174.4° |
| C12 | C13 | C15 | H151 | 0.2° | 175.0° |
| C12 | C13 | C15 | H152 | 125.0° | 65.0° |
| C12 | C13 | C15 | H153 | 125.5° | 55.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | N10 | 180.0° | 125.5° |
| C13 | C12 | C11 | H111 | 54.7° | 114.5° |
| C13 | C12 | C11 | H112 | 54.8° | 5.5° |
| H151 | C15 | H152 | H153 | 114.6° | 120.0° |
| C12 | C11 | N10 | H111 | 125.3° | 120.1° |
| C12 | C11 | N10 | H112 | 125.3° | 120.0° |
| C12 | C11 | H111 | H112 | 118.1° | 120.0° |
| C12 | C11 | N10 | C6 | 178.0° | 180.0° |
| C12 | C11 | N10 | H10 | 2.0° | 0.0° |
| H12 | C12 | C11 | N10 | 0.0° | 54.6° |
| H12 | C12 | C11 | H111 | 125.3° | 65.4° |
| H12 | C12 | C11 | H112 | 125.3° | 174.6° |
| N10 | C11 | H111 | H112 | 118.0° | 120.0° |
| C11 | N10 | C6 | H10 | 180.0° | 180.0° |
| C11 | N10 | C6 | C5 | 2.8° | 180.0° |
| C11 | N10 | C6 | N1 | 179.7° | 0.3° |
| H111 | C11 | N10 | C6 | 56.7° | 60.0° |
| H111 | C11 | N10 | H10 | 123.3° | 120.1° |
| H112 | C11 | N10 | C6 | 52.7° | 60.0° |
| H112 | C11 | N10 | H10 | 127.3° | 120.0° |
| N10 | C6 | C5 | N1 | 177.0° | 179.6° |
| N10 | C6 | C5 | N9 | 2.6° | 0.2° |
| N10 | C6 | C5 | C4 | 178.3° | 180.0° |
| N10 | C6 | N1 | C2 | 178.5° | 179.8° |
| H10 | N10 | C6 | C5 | 177.2° | 0.1° |
| H10 | N10 | C6 | N1 | 0.3° | 179.7° |
| C6 | C5 | N9 | C4 | 179.2° | 179.9° |
| C6 | C5 | N9 | C8 | 179.2° | 180.0° |
| C6 | C5 | C4 | N7 | 179.3° | 180.0° |
| C6 | C5 | C4 | N3 | 0.7° | 0.1° |
| C5 | C6 | N1 | C2 | 1.3° | 0.6° |
| N1 | C6 | C5 | N9 | 179.6° | 179.8° |
| N1 | C6 | C5 | C4 | 1.3° | 0.3° |
| C6 | N1 | C2 | N3 | 0.7° | 0.5° |
| C6 | N1 | C2 | H2 | 179.3° | 179.7° |
| N9 | C5 | C4 | N7 | 0.0° | 0.1° |
| N9 | C5 | C4 | N3 | 180.0° | 180.0° |
| C5 | N9 | C8 | N7 | 0.1° | 0.1° |
| C5 | N9 | C8 | H8 | 179.9° | 180.0° |
| C4 | C5 | N9 | C8 | 0.0° | 0.1° |
| C5 | C4 | N7 | N3 | 180.0° | 180.0° |
| C5 | C4 | N7 | C8 | 0.0° | 0.0° |
| C5 | C4 | N7 | H7 | 180.0° | 180.0° |
| C5 | C4 | N3 | C2 | 0.0° | 0.0° |
| N9 | C8 | N7 | C4 | 0.1° | 0.0° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | H7 | 179.9° | 180.0° |
| C4 | N7 | C8 | H7 | 180.0° | 180.0° |
| C4 | N7 | C8 | H8 | 179.9° | 179.9° |
| N7 | C4 | N3 | C2 | 180.0° | 180.0° |
| N3 | C4 | N7 | C8 | 180.0° | 180.0° |
| N3 | C4 | N7 | H7 | 0.0° | 0.0° |
| C4 | N3 | C2 | N1 | 0.0° | 0.2° |
| C4 | N3 | C2 | H2 | 180.0° | 180.0° |
| H7 | N7 | C8 | H8 | 0.1° | 0.0° |
| N3 | C2 | N1 | H2 | 180.0° | 179.8° |
