ZAH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | doub | 1.21Å | 1.25Å | |
| C1 | O20 | sing | 1.34Å | 1.25Å | |
| C1 | C3 | sing | 1.51Å | 1.51Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | sing | 1.54Å | 1.52Å | |
| C3 | N7 | sing | 1.47Å | 1.46Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.55Å | 1.51Å | |
| C4 | H4C1 | sing | 1.09Å | 1.11Å | |
| C4 | H4C2 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.55Å | 1.51Å | |
| C5 | H5C1 | sing | 1.09Å | 1.11Å | |
| C5 | H5C2 | sing | 1.09Å | 1.12Å | |
| C6 | N7 | sing | 1.47Å | 1.46Å | |
| C6 | H6C1 | sing | 1.09Å | 1.11Å | |
| C6 | H6C2 | sing | 1.09Å | 1.12Å | |
| N7 | C8 | sing | 1.35Å | 1.34Å | |
| C8 | O9 | doub | 1.21Å | 1.23Å | |
| C8 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | N14 | sing | 1.46Å | 1.45Å | |
| C10 | H10 | sing | 1.09Å | 1.12Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| N14 | C15 | sing | 1.35Å | 1.32Å | |
| N14 | H14 | sing | 0.97Å | 1.02Å | |
| C15 | O16 | doub | 1.21Å | 1.22Å | |
| C15 | O17 | sing | 1.35Å | 1.46Å | |
| O17 | C18 | sing | 1.45Å | 1.43Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | HA | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | O20 | 123.3° | 120.0° |
| O2 | C1 | C3 | 117.1° | 120.0° |
| O20 | C1 | C3 | 119.6° | 120.0° |
| C1 | O20 | H20 | 123.3° | 120.0° |
| C1 | C3 | C4 | 111.2° | 109.9° |
| C1 | C3 | N7 | 114.7° | 110.3° |
| C1 | C3 | H3 | 108.2° | 109.9° |
| C4 | C3 | N7 | 105.9° | 107.3° |
| C4 | C3 | H3 | 108.3° | 109.9° |
| C3 | C4 | C5 | 105.6° | 103.0° |
| C3 | C4 | H4C1 | 113.6° | 110.8° |
| C3 | C4 | H4C2 | 113.7° | 110.5° |
| N7 | C3 | H3 | 108.3° | 109.6° |
| C3 | N7 | C6 | 113.0° | 108.7° |
| C3 | N7 | C8 | 119.8° | 125.7° |
| C5 | C4 | H4C1 | 113.6° | 110.7° |
| C5 | C4 | H4C2 | 113.6° | 110.7° |
| C4 | C5 | C6 | 108.7° | 101.6° |
| C4 | C5 | H5C1 | 112.5° | 111.0° |
| C4 | C5 | H5C2 | 112.5° | 111.0° |
| H4C1 | C4 | H4C2 | 96.8° | 110.8° |
| C6 | C5 | H5C1 | 112.5° | 110.9° |
| C6 | C5 | H5C2 | 112.5° | 111.0° |
| C5 | C6 | N7 | 104.4° | 104.9° |
| C5 | C6 | H6C1 | 114.1° | 110.5° |
| C5 | C6 | H6C2 | 114.1° | 110.3° |
| H5C1 | C5 | H5C2 | 98.0° | 110.9° |
| N7 | C6 | H6C1 | 114.1° | 110.4° |
| N7 | C6 | H6C2 | 114.2° | 110.3° |
| C6 | N7 | C8 | 127.2° | 125.6° |
| H6C1 | C6 | H6C2 | 96.4° | 110.4° |
| N7 | C8 | O9 | 120.9° | 120.0° |
| N7 | C8 | C10 | 119.2° | 120.1° |
| O9 | C8 | C10 | 119.9° | 119.9° |
| C8 | C10 | C11 | 111.8° | 109.4° |
| C8 | C10 | N14 | 110.3° | 109.5° |
| C8 | C10 | H10 | 108.5° | 109.5° |
| C11 | C10 | N14 | 109.3° | 109.5° |
| C11 | C10 | H10 | 108.4° | 109.5° |
| C10 | C11 | H111 | 111.8° | 109.5° |
| C10 | C11 | H112 | 111.4° | 109.5° |
| C10 | C11 | H113 | 111.3° | 109.5° |
| N14 | C10 | H10 | 108.4° | 109.5° |
| C10 | N14 | C15 | 118.3° | 120.0° |
| C10 | N14 | H14 | 120.9° | 120.0° |
| H111 | C11 | H112 | 111.4° | 109.5° |
| H111 | C11 | H113 | 111.3° | 109.5° |
| H112 | C11 | H113 | 99.0° | 109.5° |
| C15 | N14 | H14 | 120.8° | 120.0° |
| N14 | C15 | O16 | 122.4° | 120.0° |
| N14 | C15 | O17 | 117.7° | 120.0° |
| O16 | C15 | O17 | 119.9° | 120.0° |
| C15 | O17 | C18 | 124.1° | 120.0° |
| O17 | C18 | C19 | 106.6° | 109.5° |
| O17 | C18 | H181 | 113.3° | 109.6° |
| O17 | C18 | H182 | 113.3° | 109.4° |
| C19 | C18 | H181 | 113.3° | 109.5° |
| C19 | C18 | H182 | 113.3° | 109.5° |
| C18 | C19 | C20 | 119.2° | 120.1° |
| C18 | C19 | C24 | 120.1° | 120.0° |
| H181 | C18 | H182 | 97.2° | 109.4° |
| C20 | C19 | C24 | 120.7° | 120.0° |
| C19 | C20 | C21 | 120.3° | 120.1° |
| C19 | C20 | HA | 119.9° | 120.0° |
| C19 | C24 | C23 | 118.7° | 119.9° |
| C19 | C24 | H24 | 120.7° | 120.1° |
| C21 | C20 | HA | 119.8° | 120.0° |
| C20 | C21 | C22 | 118.5° | 120.0° |
| C20 | C21 | H21 | 120.7° | 120.0° |
| C22 | C21 | H21 | 120.8° | 120.0° |
| C21 | C22 | C23 | 121.5° | 120.0° |
| C21 | C22 | H22 | 119.2° | 120.0° |
| C23 | C22 | H22 | 119.3° | 120.0° |
| C22 | C23 | C24 | 120.3° | 120.0° |
| C22 | C23 | H23 | 119.8° | 120.0° |
| C24 | C23 | H23 | 119.9° | 120.0° |
| C23 | C24 | H24 | 120.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | O20 | C3 | 179.3° | 180.0° |
| O2 | C1 | O20 | H20 | 180.0° | 0.0° |
| O2 | C1 | C3 | C4 | 74.3° | 118.6° |
| O2 | C1 | C3 | N7 | 165.5° | 0.5° |
| O2 | C1 | C3 | H3 | 44.5° | 120.4° |
| O20 | C1 | C3 | C4 | 106.3° | 61.4° |
| O20 | C1 | C3 | N7 | 13.9° | 179.5° |
| O20 | C1 | C3 | H3 | 134.9° | 59.5° |
| C3 | C1 | O20 | H20 | 0.7° | 180.0° |
| C1 | C3 | C4 | N7 | 125.3° | 119.9° |
| C1 | C3 | C4 | H3 | 118.8° | 121.0° |
| C1 | C3 | N7 | H3 | 121.0° | 121.1° |
| C1 | C3 | C4 | C5 | 114.0° | 141.8° |
| C1 | C3 | C4 | H4C1 | 120.8° | 99.8° |
| C1 | C3 | C4 | H4C2 | 11.3° | 23.5° |
| C1 | C3 | N7 | C6 | 120.1° | 118.3° |
| C1 | C3 | N7 | C8 | 61.8° | 61.6° |
| C4 | C3 | N7 | H3 | 115.9° | 119.3° |
| C3 | C4 | C5 | H4C1 | 125.2° | 118.5° |
| C3 | C4 | C5 | H4C2 | 125.3° | 118.1° |
| C3 | C4 | H4C1 | H4C2 | 119.6° | 123.1° |
| C3 | C4 | C5 | C6 | 15.7° | 35.3° |
| C3 | C4 | C5 | H5C1 | 141.0° | 82.8° |
| C3 | C4 | C5 | H5C2 | 109.5° | 153.4° |
| C4 | C3 | N7 | C6 | 2.9° | 1.3° |
| C4 | C3 | N7 | C8 | 175.1° | 178.8° |
| N7 | C3 | C4 | C5 | 11.3° | 21.9° |
| N7 | C3 | C4 | H4C1 | 113.9° | 140.4° |
| N7 | C3 | C4 | H4C2 | 136.6° | 96.4° |
| C3 | N7 | C6 | C5 | 6.6° | 24.2° |
| C3 | N7 | C6 | C8 | 177.9° | 179.9° |
| C3 | N7 | C6 | H6C1 | 131.9° | 143.2° |
| C3 | N7 | C6 | H6C2 | 118.6° | 94.5° |
| C3 | N7 | C8 | O9 | 0.9° | 0.2° |
| C3 | N7 | C8 | C10 | 179.1° | 179.8° |
| H3 | C3 | C4 | C5 | 127.2° | 97.2° |
| H3 | C3 | C4 | H4C1 | 2.0° | 21.2° |
| H3 | C3 | C4 | H4C2 | 107.5° | 144.5° |
| H3 | C3 | N7 | C6 | 118.9° | 120.6° |
| H3 | C3 | N7 | C8 | 59.2° | 59.5° |
| C5 | C4 | H4C1 | H4C2 | 119.6° | 123.3° |
| C4 | C5 | C6 | H5C1 | 125.2° | 118.1° |
| C4 | C5 | C6 | H5C2 | 125.2° | 118.1° |
| C4 | C5 | H5C1 | H5C2 | 118.4° | 123.9° |
| C4 | C5 | C6 | N7 | 13.8° | 36.9° |
| C4 | C5 | C6 | H6C1 | 139.0° | 155.9° |
| C4 | C5 | C6 | H6C2 | 111.5° | 81.8° |
| H4C1 | C4 | C5 | C6 | 109.5° | 153.8° |
| H4C1 | C4 | C5 | H5C1 | 15.7° | 35.8° |
| H4C1 | C4 | C5 | H5C2 | 125.2° | 88.1° |
| H4C2 | C4 | C5 | C6 | 141.0° | 82.9° |
| H4C2 | C4 | C5 | H5C1 | 93.8° | 159.1° |
| H4C2 | C4 | C5 | H5C2 | 15.7° | 35.2° |
| C6 | C5 | H5C1 | H5C2 | 118.4° | 123.9° |
| C5 | C6 | N7 | H6C1 | 125.2° | 119.0° |
| C5 | C6 | N7 | H6C2 | 125.3° | 118.8° |
| C5 | C6 | H6C1 | H6C2 | 120.0° | 122.3° |
| C5 | C6 | N7 | C8 | 175.5° | 155.9° |
| H5C1 | C5 | C6 | N7 | 139.0° | 81.2° |
| H5C1 | C5 | C6 | H6C1 | 95.7° | 37.8° |
| H5C1 | C5 | C6 | H6C2 | 13.7° | 160.1° |
| H5C2 | C5 | C6 | N7 | 111.5° | 155.0° |
| H5C2 | C5 | C6 | H6C1 | 13.8° | 86.0° |
| H5C2 | C5 | C6 | H6C2 | 123.3° | 36.3° |
| N7 | C6 | H6C1 | H6C2 | 120.1° | 122.2° |
| C6 | N7 | C8 | O9 | 178.7° | 180.0° |
| C6 | N7 | C8 | C10 | 1.4° | 0.1° |
| H6C1 | C6 | N7 | C8 | 50.2° | 36.9° |
| H6C2 | C6 | N7 | C8 | 59.3° | 85.3° |
| N7 | C8 | O9 | C10 | 179.9° | 179.9° |
| N7 | C8 | C10 | C11 | 86.4° | 59.9° |
| N7 | C8 | C10 | N14 | 151.8° | 180.0° |
| N7 | C8 | C10 | H10 | 33.1° | 60.0° |
| O9 | C8 | C10 | C11 | 93.6° | 120.0° |
| O9 | C8 | C10 | N14 | 28.3° | 0.1° |
| O9 | C8 | C10 | H10 | 146.9° | 120.1° |
| C8 | C10 | C11 | N14 | 122.4° | 120.1° |
| C8 | C10 | C11 | H10 | 119.5° | 119.9° |
| C8 | C10 | N14 | H10 | 118.7° | 120.0° |
| C8 | C10 | C11 | H111 | 180.0° | 60.1° |
| C8 | C10 | C11 | H112 | 54.8° | 59.9° |
| C8 | C10 | C11 | H113 | 54.8° | 179.9° |
| C8 | C10 | N14 | C15 | 71.0° | 150.0° |
| C8 | C10 | N14 | H14 | 108.9° | 30.0° |
| C11 | C10 | N14 | H10 | 118.0° | 120.0° |
| C10 | C11 | H111 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H113 | 125.2° | 120.0° |
| C10 | C11 | H112 | H113 | 117.3° | 120.0° |
| C11 | C10 | N14 | C15 | 165.7° | 90.0° |
| C11 | C10 | N14 | H14 | 14.4° | 90.0° |
| N14 | C10 | C11 | H111 | 57.5° | 60.0° |
| N14 | C10 | C11 | H112 | 177.2° | 180.0° |
| N14 | C10 | C11 | H113 | 67.7° | 60.0° |
| C10 | N14 | C15 | H14 | 180.0° | 180.0° |
| C10 | N14 | C15 | O16 | 179.2° | 0.0° |
| C10 | N14 | C15 | O17 | 0.4° | 180.0° |
| H10 | C10 | C11 | H111 | 60.5° | 180.0° |
| H10 | C10 | C11 | H112 | 64.8° | 60.0° |
| H10 | C10 | C11 | H113 | 174.3° | 60.0° |
| H10 | C10 | N14 | C15 | 47.7° | 30.0° |
| H10 | C10 | N14 | H14 | 132.4° | 150.0° |
| H111 | C11 | H112 | H113 | 117.2° | 120.0° |
| N14 | C15 | O16 | O17 | 179.6° | 180.0° |
| N14 | C15 | O17 | C18 | 171.9° | 179.9° |
| H14 | N14 | C15 | O16 | 0.8° | 180.0° |
| H14 | N14 | C15 | O17 | 179.5° | 0.0° |
| O16 | C15 | O17 | C18 | 8.4° | 0.1° |
| C15 | O17 | C18 | C19 | 175.3° | 180.0° |
| C15 | O17 | C18 | H181 | 50.0° | 59.9° |
| C15 | O17 | C18 | H182 | 59.4° | 60.1° |
| O17 | C18 | C19 | H181 | 125.3° | 120.1° |
| O17 | C18 | C19 | H182 | 125.3° | 119.9° |
| O17 | C18 | H181 | H182 | 119.2° | 120.0° |
| O17 | C18 | C19 | C20 | 65.5° | 90.1° |
| O17 | C18 | C19 | C24 | 113.1° | 90.3° |
| C19 | C18 | H181 | H182 | 119.2° | 120.0° |
| C18 | C19 | C20 | C24 | 178.5° | 179.7° |
| C18 | C19 | C20 | C21 | 179.9° | 180.0° |
| C18 | C19 | C20 | HA | 0.1° | 0.1° |
| C18 | C19 | C24 | C23 | 179.5° | 179.8° |
| C18 | C19 | C24 | H24 | 0.5° | 0.3° |
| H181 | C18 | C19 | C20 | 169.2° | 30.1° |
| H181 | C18 | C19 | C24 | 12.2° | 149.6° |
| H182 | C18 | C19 | C20 | 59.8° | 150.0° |
| H182 | C18 | C19 | C24 | 121.6° | 29.7° |
| C19 | C20 | C21 | HA | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 1.4° | 0.0° |
| C19 | C20 | C21 | H21 | 178.6° | 179.9° |
| C20 | C19 | C24 | C23 | 1.0° | 0.5° |
| C20 | C19 | C24 | H24 | 179.0° | 179.9° |
| C24 | C19 | C20 | C21 | 1.6° | 0.3° |
| C24 | C19 | C20 | HA | 178.4° | 179.7° |
| C19 | C24 | C23 | C22 | 0.2° | 0.5° |
| C19 | C24 | C23 | H24 | 180.0° | 179.5° |
| C19 | C24 | C23 | H23 | 179.8° | 179.6° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.7° | 0.0° |
| C20 | C21 | C22 | H22 | 179.3° | 179.9° |
| HA | C20 | C21 | C22 | 178.6° | 180.0° |
| HA | C20 | C21 | H21 | 1.4° | 0.0° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.2° |
| C21 | C22 | C23 | H23 | 179.9° | 179.9° |
| H21 | C21 | C22 | C23 | 179.3° | 180.0° |
| H21 | C21 | C22 | H22 | 0.7° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | H24 | 179.8° | 180.0° |
| H22 | C22 | C23 | C24 | 179.9° | 179.9° |
| H22 | C22 | C23 | H23 | 0.0° | 0.0° |
| H23 | C23 | C24 | H24 | 0.2° | 0.1° |
