ZHA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C08 | doub | 1.21Å | 1.19Å | |
| C08 | C09 | sing | 1.51Å | 1.53Å | |
| C08 | N07 | sing | 1.35Å | 1.46Å | |
| C06 | C01 | doub | 1.37Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.41Å | Aromatic |
| C01 | C02 | sing | 1.40Å | 1.41Å | Aromatic |
| O15 | C14 | doub | 1.21Å | 1.18Å | |
| N07 | C05 | sing | 1.39Å | 1.46Å | |
| C05 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | C14 | sing | 1.47Å | 1.53Å | |
| C02 | C03 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.48Å | |
| C04 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | C11 | sing | 1.50Å | 1.58Å | |
| C13 | C12 | sing | 1.54Å | 1.50Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| N07 | H6 | sing | 0.97Å | 1.00Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C08 | C09 | 119.7° | 120.0° |
| O10 | C08 | N07 | 123.0° | 120.0° |
| C09 | C08 | N07 | 117.2° | 120.0° |
| C08 | C09 | H7 | 109.5° | 109.5° |
| C08 | C09 | H8 | 109.4° | 109.5° |
| C08 | C09 | H9 | 109.5° | 109.5° |
| C08 | N07 | C05 | 128.6° | 120.0° |
| C08 | N07 | H6 | 115.7° | 120.0° |
| C01 | C06 | C05 | 120.7° | 120.0° |
| C06 | C01 | C02 | 120.5° | 120.0° |
| C06 | C01 | H3 | 119.7° | 120.0° |
| C01 | C06 | H5 | 119.6° | 120.0° |
| C06 | C05 | N07 | 123.5° | 119.9° |
| C06 | C05 | C04 | 118.6° | 120.3° |
| C05 | C06 | H5 | 119.6° | 120.0° |
| C01 | C02 | C14 | 121.9° | 119.7° |
| C01 | C02 | C03 | 118.5° | 120.2° |
| C02 | C01 | H3 | 119.8° | 120.0° |
| O15 | C14 | C02 | 121.2° | 121.1° |
| O15 | C14 | C13 | 118.0° | 121.2° |
| N07 | C05 | C04 | 117.8° | 119.8° |
| C05 | N07 | H6 | 115.7° | 120.0° |
| C05 | C04 | C03 | 120.3° | 120.2° |
| C05 | C04 | H4 | 119.9° | 119.9° |
| C14 | C02 | C03 | 119.6° | 120.1° |
| C02 | C14 | C13 | 120.8° | 117.7° |
| C02 | C03 | C04 | 121.4° | 119.3° |
| C02 | C03 | C11 | 118.4° | 121.6° |
| C14 | C13 | C12 | 112.8° | 107.4° |
| C14 | C13 | H1 | 108.6° | 109.9° |
| C14 | C13 | H2 | 108.6° | 109.9° |
| C04 | C03 | C11 | 120.2° | 119.1° |
| C03 | C04 | H4 | 119.9° | 119.9° |
| C03 | C11 | C12 | 111.3° | 111.2° |
| C03 | C11 | H10 | 109.0° | 109.1° |
| C03 | C11 | H11 | 109.0° | 109.1° |
| C13 | C12 | C11 | 111.4° | 109.3° |
| C12 | C13 | H1 | 108.7° | 109.9° |
| C12 | C13 | H2 | 108.6° | 109.9° |
| C13 | C12 | H12 | 109.0° | 109.5° |
| C13 | C12 | H13 | 109.0° | 109.4° |
| C12 | C11 | H10 | 109.0° | 109.2° |
| C12 | C11 | H11 | 109.0° | 109.1° |
| C11 | C12 | H12 | 109.0° | 109.6° |
| C11 | C12 | H13 | 109.0° | 109.5° |
| H1 | C13 | H2 | 109.4° | 109.9° |
| H7 | C09 | H8 | 109.4° | 109.4° |
| H7 | C09 | H9 | 109.4° | 109.5° |
| H8 | C09 | H9 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.1° |
| H12 | C12 | H13 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C08 | C09 | N07 | 179.5° | 180.0° |
| O10 | C08 | N07 | C05 | 2.2° | 4.5° |
| O10 | C08 | N07 | H6 | 177.9° | 175.4° |
| O10 | C08 | C09 | H7 | 0.0° | 90.0° |
| O10 | C08 | C09 | H8 | 120.0° | 29.9° |
| O10 | C08 | C09 | H9 | 120.0° | 150.0° |
| C09 | C08 | N07 | C05 | 178.3° | 175.5° |
| C09 | C08 | N07 | H6 | 1.6° | 4.6° |
| C08 | C09 | H7 | H8 | 120.0° | 120.0° |
| C08 | C09 | H7 | H9 | 120.0° | 120.0° |
| C08 | C09 | H8 | H9 | 120.0° | 120.0° |
| C08 | N07 | C05 | C06 | 1.2° | 35.1° |
| C08 | N07 | C05 | H6 | 180.0° | 180.0° |
| C08 | N07 | C05 | C04 | 176.4° | 144.9° |
| N07 | C08 | C09 | H7 | 179.5° | 90.0° |
| N07 | C08 | C09 | H8 | 60.5° | 150.1° |
| N07 | C08 | C09 | H9 | 59.5° | 30.0° |
| C01 | C06 | C05 | H5 | 180.0° | 180.0° |
| C06 | C01 | C02 | H3 | 180.0° | 179.9° |
| C01 | C06 | C05 | N07 | 178.6° | 179.9° |
| C01 | C06 | C05 | C04 | 1.0° | 0.1° |
| C06 | C01 | C02 | C14 | 179.7° | 179.8° |
| C06 | C01 | C02 | C03 | 0.3° | 0.1° |
| C05 | C06 | C01 | C02 | 0.3° | 0.0° |
| C06 | C05 | N07 | C04 | 177.6° | 180.0° |
| C06 | C05 | C04 | C03 | 1.1° | 0.1° |
| C05 | C06 | C01 | H3 | 179.7° | 179.9° |
| C06 | C05 | C04 | H4 | 178.9° | 179.9° |
| C06 | C05 | N07 | H6 | 178.8° | 144.8° |
| C01 | C02 | C14 | O15 | 5.4° | 11.3° |
| C01 | C02 | C14 | C03 | 179.4° | 179.9° |
| C01 | C02 | C14 | C13 | 175.8° | 168.6° |
| C01 | C02 | C03 | C04 | 0.2° | 0.2° |
| C01 | C02 | C03 | C11 | 179.6° | 179.7° |
| C02 | C01 | C06 | H5 | 179.7° | 180.0° |
| O15 | C14 | C02 | C13 | 178.7° | 179.9° |
| O15 | C14 | C02 | C03 | 174.0° | 168.5° |
| O15 | C14 | C13 | C12 | 158.3° | 137.4° |
| O15 | C14 | C13 | H1 | 81.1° | 103.1° |
| O15 | C14 | C13 | H2 | 37.8° | 17.9° |
| N07 | C05 | C04 | C03 | 178.8° | 179.9° |
| N07 | C05 | C04 | H4 | 1.2° | 0.0° |
| N07 | C05 | C06 | H5 | 1.4° | 0.1° |
| C05 | C04 | C03 | C02 | 0.5° | 0.2° |
| C05 | C04 | C03 | H4 | 180.0° | 180.0° |
| C05 | C04 | C03 | C11 | 178.9° | 179.7° |
| C04 | C05 | C06 | H5 | 179.0° | 179.9° |
| C04 | C05 | N07 | H6 | 3.6° | 35.2° |
| C14 | C02 | C03 | C04 | 179.7° | 179.6° |
| C14 | C02 | C03 | C11 | 0.9° | 0.5° |
| C02 | C14 | C13 | C12 | 22.9° | 42.7° |
| C02 | C14 | C13 | H1 | 97.7° | 76.8° |
| C02 | C14 | C13 | H2 | 143.4° | 162.1° |
| C14 | C02 | C01 | H3 | 0.2° | 0.1° |
| C03 | C02 | C14 | C13 | 4.7° | 11.5° |
| C02 | C03 | C04 | C11 | 179.4° | 179.9° |
| C02 | C03 | C11 | C12 | 29.0° | 22.5° |
| C03 | C02 | C01 | H3 | 179.7° | 180.0° |
| C02 | C03 | C04 | H4 | 179.5° | 179.8° |
| C02 | C03 | C11 | H10 | 149.3° | 98.0° |
| C02 | C03 | C11 | H11 | 91.2° | 142.9° |
| C14 | C13 | C12 | H1 | 120.5° | 119.5° |
| C14 | C13 | C12 | H2 | 120.5° | 119.4° |
| C14 | C13 | C12 | C11 | 53.2° | 64.1° |
| C14 | C13 | H1 | H2 | 118.5° | 121.0° |
| C14 | C13 | C12 | H12 | 173.5° | 55.9° |
| C14 | C13 | C12 | H13 | 67.1° | 176.0° |
| C04 | C03 | C11 | C12 | 150.4° | 157.6° |
| C04 | C03 | C11 | H10 | 30.1° | 81.9° |
| C04 | C03 | C11 | H11 | 89.4° | 37.2° |
| C03 | C11 | C12 | C13 | 56.4° | 54.5° |
| C03 | C11 | C12 | H10 | 120.3° | 120.4° |
| C03 | C11 | C12 | H11 | 120.3° | 120.4° |
| C11 | C03 | C04 | H4 | 1.1° | 0.3° |
| C03 | C11 | H10 | H11 | 119.1° | 119.1° |
| C03 | C11 | C12 | H12 | 176.6° | 65.4° |
| C03 | C11 | C12 | H13 | 63.9° | 174.4° |
| C13 | C12 | C11 | H12 | 120.3° | 120.0° |
| C13 | C12 | C11 | H13 | 120.3° | 119.9° |
| C12 | C13 | H1 | H2 | 118.5° | 121.0° |
| C13 | C12 | C11 | H10 | 176.6° | 65.9° |
| C13 | C12 | C11 | H11 | 63.9° | 174.9° |
| C13 | C12 | H12 | H13 | 119.1° | 120.0° |
| C11 | C12 | C13 | H1 | 67.3° | 55.4° |
| C11 | C12 | C13 | H2 | 173.7° | 176.5° |
| C12 | C11 | H10 | H11 | 119.2° | 119.2° |
| C11 | C12 | H12 | H13 | 119.1° | 120.1° |
| H1 | C13 | C12 | H12 | 53.0° | 175.4° |
| H1 | C13 | C12 | H13 | 172.4° | 64.5° |
| H2 | C13 | C12 | H12 | 66.0° | 63.5° |
| H2 | C13 | C12 | H13 | 53.4° | 56.6° |
| H3 | C01 | C06 | H5 | 0.3° | 0.1° |
| H7 | C09 | H8 | H9 | 120.0° | 120.0° |
| H10 | C11 | C12 | H12 | 63.1° | 174.1° |
| H10 | C11 | C12 | H13 | 56.4° | 54.0° |
| H11 | C11 | C12 | H12 | 56.4° | 55.0° |
| H11 | C11 | C12 | H13 | 175.8° | 65.2° |
