A1EZ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N17 | C18 | doub | 1.32Å | 1.32Å | Aromatic |
| N17 | C16 | sing | 1.32Å | 1.33Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | N14 | sing | 1.40Å | 1.45Å | |
| N14 | C23 | sing | 1.35Å | 1.44Å | |
| N14 | C13 | sing | 1.34Å | 1.48Å | |
| O24 | C23 | doub | 1.21Å | 1.19Å | |
| C23 | C11 | sing | 1.51Å | 1.49Å | |
| O22 | C13 | doub | 1.22Å | 1.18Å | |
| C13 | N12 | sing | 1.35Å | 1.47Å | |
| CL01 | C02 | sing | 1.74Å | 1.78Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | C08 | sing | 1.54Å | 1.52Å | |
| C11 | N12 | sing | 1.46Å | 1.44Å | |
| C11 | C09 | sing | 1.53Å | 1.51Å | |
| C08 | C09 | sing | 1.54Å | 1.54Å | |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C02 | C07 | doub | 1.38Å | 1.37Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| N12 | H3 | sing | 0.97Å | 1.00Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C03 | H8 | sing | 1.08Å | 1.08Å | |
| C04 | H9 | sing | 1.08Å | 1.08Å | |
| C05 | H10 | sing | 1.08Å | 1.08Å | |
| C06 | H11 | sing | 1.08Å | 1.08Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | N17 | C16 | 122.5° | 121.8° |
| N17 | C18 | C19 | 120.8° | 120.9° |
| N17 | C18 | H16 | 119.6° | 119.6° |
| N17 | C16 | C15 | 119.9° | 120.7° |
| N17 | C16 | H15 | 120.0° | 119.6° |
| C18 | C19 | C20 | 121.2° | 120.4° |
| C18 | C19 | C21 | 118.5° | 119.3° |
| C19 | C18 | H16 | 119.6° | 119.6° |
| C16 | C15 | C21 | 119.4° | 119.0° |
| C16 | C15 | N14 | 123.4° | 120.5° |
| C15 | C16 | H15 | 120.1° | 119.7° |
| C20 | C19 | C21 | 120.3° | 120.4° |
| C19 | C20 | H4 | 109.5° | 109.5° |
| C19 | C20 | H5 | 109.4° | 109.5° |
| C19 | C20 | H6 | 109.5° | 109.5° |
| C19 | C21 | C15 | 118.9° | 118.4° |
| C19 | C21 | H7 | 120.5° | 120.8° |
| C21 | C15 | N14 | 117.2° | 120.5° |
| C15 | C21 | H7 | 120.5° | 120.8° |
| C15 | N14 | C23 | 126.5° | 124.2° |
| C15 | N14 | C13 | 125.4° | 124.2° |
| C23 | N14 | C13 | 108.0° | 111.6° |
| N14 | C23 | O24 | 126.3° | 127.4° |
| N14 | C23 | C11 | 107.8° | 105.2° |
| N14 | C13 | O22 | 126.3° | 123.8° |
| N14 | C13 | N12 | 108.1° | 112.4° |
| O24 | C23 | C11 | 125.7° | 127.4° |
| C23 | C11 | C10 | 100.9° | 115.9° |
| C23 | C11 | N12 | 108.2° | 104.7° |
| C23 | C11 | C09 | 139.5° | 116.0° |
| O22 | C13 | N12 | 125.6° | 123.8° |
| C13 | N12 | C11 | 107.7° | 106.1° |
| C13 | N12 | H3 | 126.1° | 126.9° |
| CL01 | C02 | C07 | 118.3° | 120.0° |
| CL01 | C02 | C03 | 121.7° | 120.0° |
| C11 | C10 | C08 | 86.9° | 86.8° |
| C10 | C11 | N12 | 122.9° | 116.1° |
| C10 | C11 | C09 | 88.2° | 88.1° |
| C11 | C10 | H1 | 114.8° | 113.7° |
| C11 | C10 | H2 | 114.8° | 113.6° |
| C10 | C08 | C09 | 87.8° | 87.3° |
| C10 | C08 | C07 | 118.6° | 113.6° |
| C08 | C10 | H1 | 114.8° | 113.7° |
| C08 | C10 | H2 | 114.8° | 113.7° |
| C10 | C08 | H12 | 109.0° | 113.6° |
| N12 | C11 | C09 | 99.0° | 116.1° |
| C11 | N12 | H3 | 126.1° | 127.0° |
| C11 | C09 | C08 | 87.7° | 86.8° |
| C11 | C09 | H13 | 114.6° | 113.7° |
| C11 | C09 | H14 | 114.6° | 113.7° |
| C09 | C08 | C07 | 122.0° | 113.6° |
| C09 | C08 | H12 | 108.7° | 113.6° |
| C08 | C09 | H13 | 114.6° | 113.6° |
| C08 | C09 | H14 | 114.6° | 113.7° |
| C08 | C07 | C02 | 121.9° | 120.0° |
| C08 | C07 | C06 | 118.4° | 120.0° |
| C07 | C08 | H12 | 108.9° | 112.9° |
| C07 | C02 | C03 | 120.0° | 119.9° |
| C02 | C07 | C06 | 119.7° | 120.0° |
| C02 | C03 | C04 | 120.3° | 120.0° |
| C02 | C03 | H8 | 119.8° | 120.0° |
| C07 | C06 | C05 | 120.9° | 120.0° |
| C07 | C06 | H11 | 119.6° | 120.0° |
| C03 | C04 | C05 | 120.1° | 120.0° |
| C04 | C03 | H8 | 119.8° | 120.0° |
| C03 | C04 | H9 | 119.9° | 120.0° |
| C06 | C05 | C04 | 119.0° | 120.0° |
| C06 | C05 | H10 | 120.5° | 120.0° |
| C05 | C06 | H11 | 119.6° | 120.0° |
| C05 | C04 | H9 | 119.9° | 119.9° |
| C04 | C05 | H10 | 120.5° | 120.0° |
| H1 | C10 | H2 | 109.5° | 113.0° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H4 | C20 | H6 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.4° |
| H13 | C09 | H14 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N17 | C18 | C19 | H16 | 180.0° | 180.0° |
| C18 | N17 | C16 | C15 | 0.7° | 0.6° |
| N17 | C18 | C19 | C20 | 180.0° | 180.0° |
| N17 | C18 | C19 | C21 | 0.5° | 0.6° |
| C18 | N17 | C16 | H15 | 179.3° | 179.4° |
| C16 | N17 | C18 | C19 | 0.9° | 0.9° |
| N17 | C16 | C15 | H15 | 180.0° | 179.9° |
| N17 | C16 | C15 | C21 | 0.1° | 0.0° |
| N17 | C16 | C15 | N14 | 179.4° | 179.7° |
| C16 | N17 | C18 | H16 | 179.1° | 179.1° |
| C18 | C19 | C20 | C21 | 179.5° | 179.4° |
| C18 | C19 | C21 | C15 | 0.0° | 0.0° |
| C18 | C19 | C20 | H4 | 89.7° | 90.0° |
| C18 | C19 | C20 | H5 | 150.3° | 150.0° |
| C18 | C19 | C20 | H6 | 30.2° | 30.0° |
| C18 | C19 | C21 | H7 | 180.0° | 180.0° |
| C16 | C15 | C21 | C19 | 0.2° | 0.2° |
| C16 | C15 | C21 | N14 | 179.5° | 179.8° |
| C16 | C15 | N14 | C23 | 74.7° | 6.2° |
| C16 | C15 | N14 | C13 | 106.4° | 173.8° |
| C16 | C15 | C21 | H7 | 179.8° | 179.7° |
| C20 | C19 | C21 | C15 | 179.5° | 179.4° |
| C19 | C20 | H4 | H5 | 120.0° | 120.0° |
| C19 | C20 | H4 | H6 | 120.0° | 120.0° |
| C19 | C20 | H5 | H6 | 120.0° | 119.9° |
| C20 | C19 | C21 | H7 | 0.6° | 0.6° |
| C20 | C19 | C18 | H16 | 0.0° | 0.1° |
| C19 | C21 | C15 | H7 | 180.0° | 180.0° |
| C19 | C21 | C15 | N14 | 179.7° | 180.0° |
| C21 | C19 | C20 | H4 | 89.7° | 89.4° |
| C21 | C19 | C20 | H5 | 30.3° | 30.7° |
| C21 | C19 | C20 | H6 | 150.3° | 150.6° |
| C21 | C19 | C18 | H16 | 179.5° | 179.4° |
| C21 | C15 | N14 | C23 | 104.8° | 174.0° |
| C21 | C15 | N14 | C13 | 74.1° | 6.0° |
| C21 | C15 | C16 | H15 | 179.9° | 180.0° |
| C15 | N14 | C23 | C13 | 179.0° | 180.0° |
| C15 | N14 | C23 | O24 | 1.7° | 0.0° |
| C15 | N14 | C23 | C11 | 177.9° | 179.9° |
| C15 | N14 | C13 | O22 | 2.3° | 0.0° |
| C15 | N14 | C13 | N12 | 177.6° | 179.9° |
| N14 | C15 | C21 | H7 | 0.3° | 0.0° |
| N14 | C15 | C16 | H15 | 0.6° | 0.2° |
| N14 | C23 | O24 | C11 | 175.5° | 179.9° |
| C23 | N14 | C13 | O22 | 178.7° | 180.0° |
| C23 | N14 | C13 | N12 | 1.4° | 0.1° |
| N14 | C23 | C11 | C10 | 130.7° | 129.3° |
| N14 | C23 | C11 | N12 | 0.5° | 0.0° |
| N14 | C23 | C11 | C09 | 129.3° | 129.3° |
| C13 | N14 | C23 | O24 | 177.3° | 180.0° |
| C13 | N14 | C23 | C11 | 1.1° | 0.1° |
| N14 | C13 | O22 | N12 | 179.9° | 179.9° |
| N14 | C13 | N12 | C11 | 1.1° | 0.1° |
| N14 | C13 | N12 | H3 | 179.0° | 179.9° |
| O24 | C23 | C11 | C10 | 53.1° | 50.7° |
| O24 | C23 | C11 | N12 | 176.7° | 180.0° |
| O24 | C23 | C11 | C09 | 47.0° | 50.6° |
| C23 | C11 | N12 | C13 | 0.4° | 0.0° |
| C23 | C11 | C10 | N12 | 120.3° | 123.6° |
| C23 | C11 | C10 | C09 | 140.2° | 118.1° |
| C23 | C11 | C10 | C08 | 117.1° | 93.3° |
| C23 | C11 | N12 | C09 | 149.6° | 129.3° |
| C23 | C11 | C09 | C08 | 81.8° | 93.2° |
| C23 | C11 | C10 | H1 | 126.9° | 21.2° |
| C23 | C11 | C10 | H2 | 1.2° | 152.3° |
| C23 | C11 | N12 | H3 | 179.6° | 180.0° |
| C23 | C11 | C09 | H13 | 34.3° | 152.3° |
| C23 | C11 | C09 | H14 | 162.1° | 21.3° |
| O22 | C13 | N12 | C11 | 179.0° | 180.0° |
| O22 | C13 | N12 | H3 | 1.0° | 0.0° |
| C13 | N12 | C11 | C10 | 116.3° | 129.2° |
| C13 | N12 | C11 | H3 | 180.0° | 180.0° |
| C13 | N12 | C11 | C09 | 150.0° | 129.3° |
| CL01 | C02 | C07 | C08 | 1.3° | 0.2° |
| CL01 | C02 | C07 | C03 | 179.3° | 179.8° |
| CL01 | C02 | C07 | C06 | 179.4° | 179.7° |
| CL01 | C02 | C03 | C04 | 180.0° | 179.7° |
| CL01 | C02 | C03 | H8 | 0.1° | 0.3° |
| C11 | C10 | C08 | H1 | 115.9° | 114.5° |
| C11 | C10 | C08 | H2 | 115.9° | 114.4° |
| C10 | C11 | N12 | C09 | 93.6° | 101.5° |
| C11 | C10 | C08 | C09 | 22.6° | 24.7° |
| C11 | C10 | C08 | C07 | 148.3° | 139.3° |
| C11 | C10 | H1 | H2 | 130.7° | 131.4° |
| C10 | C11 | N12 | H3 | 63.6° | 50.8° |
| C11 | C10 | C08 | H12 | 86.4° | 89.9° |
| C10 | C11 | C09 | H13 | 138.9° | 89.6° |
| C10 | C11 | C09 | H14 | 93.2° | 139.4° |
| C08 | C10 | C11 | N12 | 122.6° | 143.2° |
| C10 | C08 | C09 | C07 | 122.8° | 114.6° |
| C10 | C08 | C09 | H12 | 109.3° | 114.6° |
| C10 | C08 | C07 | H12 | 125.3° | 131.1° |
| C10 | C08 | C07 | C02 | 59.6° | 120.0° |
| C10 | C08 | C07 | C06 | 122.3° | 60.1° |
| C08 | C10 | H1 | H2 | 130.7° | 131.5° |
| C10 | C08 | C09 | H13 | 139.3° | 89.8° |
| C10 | C08 | C09 | H14 | 92.9° | 139.2° |
| N12 | C11 | C09 | C08 | 145.9° | 143.2° |
| N12 | C11 | C10 | H1 | 6.7° | 102.3° |
| N12 | C11 | C10 | H2 | 121.5° | 28.7° |
| N12 | C11 | C09 | H13 | 98.0° | 28.7° |
| N12 | C11 | C09 | H14 | 29.8° | 102.3° |
| C11 | C09 | C08 | H13 | 116.1° | 114.5° |
| C11 | C09 | C08 | H14 | 116.1° | 114.5° |
| C11 | C09 | C08 | C07 | 146.0° | 139.3° |
| C09 | C11 | C10 | H1 | 92.8° | 139.4° |
| C09 | C11 | C10 | H2 | 139.0° | 89.6° |
| C09 | C11 | N12 | H3 | 30.0° | 50.7° |
| C11 | C09 | C08 | H12 | 86.1° | 89.9° |
| C11 | C09 | H13 | H14 | 130.4° | 131.4° |
| C09 | C08 | C07 | H12 | 127.9° | 131.1° |
| C09 | C08 | C07 | C02 | 166.5° | 142.3° |
| C09 | C08 | C07 | C06 | 15.4° | 37.7° |
| C09 | C08 | C10 | H1 | 93.3° | 139.1° |
| C09 | C08 | C10 | H2 | 138.5° | 89.8° |
| C08 | C09 | H13 | H14 | 130.3° | 131.4° |
| C08 | C07 | C02 | C06 | 178.1° | 179.9° |
| C08 | C07 | C02 | C03 | 179.3° | 180.0° |
| C08 | C07 | C06 | C05 | 179.5° | 179.9° |
| C07 | C08 | C10 | H1 | 32.4° | 106.3° |
| C07 | C08 | C10 | H2 | 95.8° | 24.9° |
| C08 | C07 | C06 | H11 | 0.5° | 0.1° |
| C07 | C08 | C09 | H13 | 97.9° | 24.8° |
| C07 | C08 | C09 | H14 | 29.9° | 106.1° |
| C07 | C02 | C03 | C04 | 0.7° | 0.1° |
| C02 | C07 | C06 | C05 | 1.4° | 0.1° |
| C07 | C02 | C03 | H8 | 179.3° | 180.0° |
| C02 | C07 | C06 | H11 | 178.6° | 179.9° |
| C02 | C07 | C08 | H12 | 65.7° | 11.2° |
| C03 | C02 | C07 | C06 | 1.2° | 0.1° |
| C02 | C03 | C04 | H8 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.3° | 0.1° |
| C02 | C03 | C04 | H9 | 179.7° | 180.0° |
| C07 | C06 | C05 | H11 | 180.0° | 179.8° |
| C07 | C06 | C05 | C04 | 1.0° | 0.1° |
| C07 | C06 | C05 | H10 | 179.0° | 180.0° |
| C06 | C07 | C08 | H12 | 112.4° | 168.8° |
| C03 | C04 | C05 | C06 | 0.4° | 0.1° |
| C03 | C04 | C05 | H9 | 180.0° | 179.9° |
| C03 | C04 | C05 | H10 | 179.6° | 180.0° |
| C06 | C05 | C04 | H10 | 180.0° | 179.9° |
| C06 | C05 | C04 | H9 | 179.6° | 180.0° |
| C05 | C04 | C03 | H8 | 179.7° | 179.9° |
| C04 | C05 | C06 | H11 | 179.0° | 180.0° |
| H1 | C10 | C08 | H12 | 157.6° | 24.5° |
| H2 | C10 | C08 | H12 | 29.5° | 155.6° |
| H4 | C20 | H5 | H6 | 120.0° | 120.0° |
| H8 | C03 | C04 | H9 | 0.3° | 0.0° |
| H9 | C04 | C05 | H10 | 0.4° | 0.1° |
| H10 | C05 | C06 | H11 | 1.0° | 0.1° |
| H12 | C08 | C09 | H13 | 30.0° | 155.6° |
| H12 | C08 | C09 | H14 | 157.8° | 24.6° |
