A1EZ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N12 | C13 | doub | 1.32Å | 1.33Å | Aromatic |
| N12 | C11 | sing | 1.32Å | 1.31Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | N15 | sing | 1.40Å | 1.44Å | |
| C14 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | N09 | sing | 1.40Å | 1.43Å | |
| N09 | C17 | sing | 1.35Å | 1.42Å | |
| N09 | C08 | sing | 1.34Å | 1.47Å | |
| O18 | C17 | doub | 1.21Å | 1.18Å | |
| O19 | C08 | doub | 1.21Å | 1.19Å | |
| C17 | C06 | sing | 1.51Å | 1.51Å | |
| C08 | N07 | sing | 1.35Å | 1.48Å | |
| CL01 | C02 | sing | 1.74Å | 1.78Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.54Å | 1.52Å | |
| C06 | N07 | sing | 1.46Å | 1.43Å | |
| C06 | C20 | sing | 1.53Å | 1.53Å | |
| C04 | C20 | sing | 1.54Å | 1.52Å | |
| C04 | C03 | sing | 1.51Å | 1.53Å | |
| C02 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| N07 | H13 | sing | 0.97Å | 1.00Å | |
| N15 | H14 | sing | 0.97Å | 1.00Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N12 | C11 | 121.7° | 121.9° |
| N12 | C13 | C14 | 122.9° | 120.8° |
| N12 | C13 | H1 | 118.6° | 119.6° |
| N12 | C11 | C10 | 119.0° | 120.8° |
| N12 | C11 | H10 | 120.5° | 119.6° |
| C13 | C14 | N15 | 119.4° | 120.4° |
| C13 | C14 | C16 | 117.5° | 119.1° |
| C14 | C13 | H1 | 118.6° | 119.6° |
| C11 | C10 | C16 | 121.0° | 119.1° |
| C11 | C10 | N09 | 120.7° | 120.5° |
| C10 | C11 | H10 | 120.5° | 119.6° |
| N15 | C14 | C16 | 123.1° | 120.5° |
| C14 | N15 | H14 | 109.5° | 120.1° |
| C14 | N15 | H15 | 109.5° | 120.0° |
| C14 | C16 | C10 | 117.9° | 118.3° |
| C14 | C16 | H11 | 121.1° | 120.8° |
| C16 | C10 | N09 | 118.3° | 120.4° |
| C10 | C16 | H11 | 121.1° | 120.9° |
| C10 | N09 | C17 | 126.8° | 124.2° |
| C10 | N09 | C08 | 123.7° | 124.2° |
| C17 | N09 | C08 | 109.4° | 111.6° |
| N09 | C17 | O18 | 125.1° | 127.4° |
| N09 | C17 | C06 | 106.9° | 105.2° |
| N09 | C08 | O19 | 124.9° | 123.8° |
| N09 | C08 | N07 | 107.2° | 112.4° |
| O18 | C17 | C06 | 128.0° | 127.4° |
| O19 | C08 | N07 | 127.8° | 123.8° |
| C17 | C06 | C05 | 113.0° | 115.9° |
| C17 | C06 | N07 | 108.4° | 104.7° |
| C17 | C06 | C20 | 113.4° | 116.0° |
| C08 | N07 | C06 | 108.0° | 106.2° |
| C08 | N07 | H13 | 126.0° | 126.9° |
| CL01 | C02 | C03 | 117.6° | 120.0° |
| CL01 | C02 | C24 | 121.9° | 120.0° |
| C06 | C05 | C04 | 88.8° | 86.8° |
| C05 | C06 | N07 | 107.7° | 116.1° |
| C05 | C06 | C20 | 88.9° | 88.1° |
| C06 | C05 | H8 | 114.4° | 113.7° |
| C06 | C05 | H9 | 114.4° | 113.7° |
| C05 | C04 | C20 | 89.3° | 87.3° |
| C05 | C04 | C03 | 116.1° | 113.6° |
| C05 | C04 | H7 | 109.6° | 113.6° |
| C04 | C05 | H8 | 114.3° | 113.7° |
| C04 | C05 | H9 | 114.4° | 113.7° |
| N07 | C06 | C20 | 123.8° | 116.1° |
| C06 | N07 | H13 | 126.0° | 126.9° |
| C06 | C20 | C04 | 88.6° | 86.8° |
| C06 | C20 | H2 | 114.4° | 113.7° |
| C06 | C20 | H3 | 114.4° | 113.7° |
| C20 | C04 | C03 | 121.1° | 113.6° |
| C04 | C20 | H2 | 114.4° | 113.6° |
| C04 | C20 | H3 | 114.4° | 113.7° |
| C20 | C04 | H7 | 109.6° | 113.6° |
| C04 | C03 | C02 | 118.4° | 120.0° |
| C04 | C03 | C21 | 121.2° | 120.0° |
| C03 | C04 | H7 | 109.5° | 112.8° |
| C03 | C02 | C24 | 120.5° | 120.0° |
| C02 | C03 | C21 | 120.4° | 120.0° |
| C02 | C24 | C23 | 119.0° | 119.9° |
| C02 | C24 | H6 | 120.5° | 120.1° |
| C03 | C21 | C22 | 119.6° | 120.0° |
| C03 | C21 | H4 | 120.2° | 119.9° |
| C24 | C23 | C22 | 120.8° | 120.0° |
| C23 | C24 | H6 | 120.5° | 120.0° |
| C24 | C23 | H12 | 119.6° | 120.0° |
| C21 | C22 | C23 | 119.7° | 120.0° |
| C22 | C21 | H4 | 120.2° | 120.0° |
| C21 | C22 | H5 | 120.1° | 120.0° |
| C23 | C22 | H5 | 120.1° | 119.9° |
| C22 | C23 | H12 | 119.6° | 120.0° |
| H2 | C20 | H3 | 109.4° | 112.9° |
| H8 | C05 | H9 | 109.5° | 112.9° |
| H14 | N15 | H15 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N12 | C13 | C14 | H1 | 180.0° | 179.8° |
| C13 | N12 | C11 | C10 | 1.1° | 0.0° |
| N12 | C13 | C14 | N15 | 178.5° | 180.0° |
| N12 | C13 | C14 | C16 | 0.7° | 0.5° |
| C13 | N12 | C11 | H10 | 178.9° | 180.0° |
| C11 | N12 | C13 | C14 | 1.1° | 0.2° |
| N12 | C11 | C10 | H10 | 180.0° | 180.0° |
| N12 | C11 | C10 | C16 | 0.8° | 0.0° |
| N12 | C11 | C10 | N09 | 179.8° | 179.7° |
| C11 | N12 | C13 | H1 | 178.9° | 180.0° |
| C13 | C14 | N15 | C16 | 177.7° | 179.6° |
| C13 | C14 | C16 | C10 | 0.3° | 0.4° |
| C13 | C14 | C16 | H11 | 179.7° | 179.5° |
| C13 | C14 | N15 | H14 | 180.0° | 0.1° |
| C13 | C14 | N15 | H15 | 60.0° | 180.0° |
| C11 | C10 | C16 | C14 | 0.4° | 0.2° |
| C11 | C10 | C16 | N09 | 179.0° | 179.8° |
| C11 | C10 | N09 | C17 | 85.8° | 5.7° |
| C11 | C10 | N09 | C08 | 97.8° | 174.3° |
| C11 | C10 | C16 | H11 | 179.6° | 179.8° |
| N15 | C14 | C16 | C10 | 178.0° | 180.0° |
| N15 | C14 | C13 | H1 | 1.6° | 0.2° |
| N15 | C14 | C16 | H11 | 2.0° | 0.0° |
| C14 | N15 | H14 | H15 | 120.0° | 179.9° |
| C14 | C16 | C10 | H11 | 180.0° | 180.0° |
| C14 | C16 | C10 | N09 | 179.4° | 180.0° |
| C16 | C14 | C13 | H1 | 179.3° | 179.7° |
| C16 | C14 | N15 | H14 | 2.3° | 179.4° |
| C16 | C14 | N15 | H15 | 122.3° | 0.5° |
| C16 | C10 | N09 | C17 | 95.2° | 174.0° |
| C16 | C10 | N09 | C08 | 81.2° | 6.0° |
| C16 | C10 | C11 | H10 | 179.2° | 180.0° |
| C10 | N09 | C17 | C08 | 176.9° | 180.0° |
| C10 | N09 | C17 | O18 | 2.9° | 0.3° |
| C10 | N09 | C08 | O19 | 3.4° | 0.0° |
| C10 | N09 | C17 | C06 | 178.0° | 180.0° |
| C10 | N09 | C08 | N07 | 178.4° | 180.0° |
| N09 | C10 | C11 | H10 | 0.2° | 0.3° |
| N09 | C10 | C16 | H11 | 0.6° | 0.0° |
| N09 | C17 | O18 | C06 | 178.9° | 179.7° |
| C17 | N09 | C08 | O19 | 179.6° | 180.0° |
| C17 | N09 | C08 | N07 | 1.4° | 0.0° |
| N09 | C17 | C06 | C05 | 118.8° | 129.4° |
| N09 | C17 | C06 | N07 | 0.5° | 0.0° |
| N09 | C17 | C06 | C20 | 142.0° | 129.3° |
| C08 | N09 | C17 | O18 | 179.7° | 179.7° |
| N09 | C08 | O19 | N07 | 177.8° | 180.0° |
| C08 | N09 | C17 | C06 | 1.2° | 0.0° |
| N09 | C08 | N07 | C06 | 1.1° | 0.0° |
| N09 | C08 | N07 | H13 | 178.9° | 180.0° |
| O18 | C17 | C06 | C05 | 60.3° | 50.9° |
| O18 | C17 | C06 | N07 | 179.6° | 179.7° |
| O18 | C17 | C06 | C20 | 38.9° | 50.4° |
| O19 | C08 | N07 | C06 | 179.3° | 180.0° |
| O19 | C08 | N07 | H13 | 0.8° | 0.0° |
| C17 | C06 | N07 | C08 | 0.4° | 0.0° |
| C17 | C06 | C05 | N07 | 119.7° | 123.6° |
| C17 | C06 | C05 | C20 | 115.1° | 118.1° |
| C17 | C06 | C05 | C04 | 99.4° | 93.2° |
| C17 | C06 | N07 | C20 | 136.6° | 129.3° |
| C17 | C06 | C20 | C04 | 98.9° | 93.2° |
| C17 | C06 | C20 | H2 | 17.4° | 152.3° |
| C17 | C06 | C20 | H3 | 144.8° | 21.3° |
| C17 | C06 | C05 | H8 | 144.3° | 21.3° |
| C17 | C06 | C05 | H9 | 17.0° | 152.3° |
| C17 | C06 | N07 | H13 | 179.6° | 180.0° |
| C08 | N07 | C06 | C05 | 122.9° | 129.2° |
| C08 | N07 | C06 | H13 | 180.0° | 180.0° |
| C08 | N07 | C06 | C20 | 136.2° | 129.2° |
| CL01 | C02 | C03 | C04 | 0.9° | 0.1° |
| CL01 | C02 | C03 | C24 | 179.8° | 179.4° |
| CL01 | C02 | C03 | C21 | 178.3° | 180.0° |
| CL01 | C02 | C24 | C23 | 179.1° | 179.7° |
| CL01 | C02 | C24 | H6 | 0.9° | 0.4° |
| C06 | C05 | C04 | H8 | 116.3° | 114.5° |
| C06 | C05 | C04 | H9 | 116.3° | 114.5° |
| C05 | C06 | N07 | C20 | 100.9° | 101.5° |
| C06 | C05 | C04 | C20 | 15.8° | 24.7° |
| C06 | C05 | C04 | C03 | 140.5° | 139.3° |
| C05 | C06 | C20 | H2 | 132.0° | 89.6° |
| C05 | C06 | C20 | H3 | 100.6° | 139.4° |
| C06 | C05 | C04 | H7 | 94.8° | 89.9° |
| C06 | C05 | H8 | H9 | 129.8° | 131.3° |
| C05 | C06 | N07 | H13 | 57.1° | 50.7° |
| C04 | C05 | C06 | N07 | 141.0° | 143.2° |
| C05 | C04 | C20 | C03 | 120.4° | 114.6° |
| C05 | C04 | C20 | H7 | 110.6° | 114.7° |
| C05 | C04 | C03 | H7 | 124.8° | 131.2° |
| C05 | C04 | C03 | C02 | 88.5° | 142.3° |
| C05 | C04 | C03 | C21 | 88.9° | 37.7° |
| C05 | C04 | C20 | H2 | 132.0° | 89.8° |
| C05 | C04 | C20 | H3 | 100.6° | 139.1° |
| C04 | C05 | H8 | H9 | 129.8° | 131.4° |
| N07 | C06 | C20 | C04 | 126.3° | 143.2° |
| N07 | C06 | C20 | H2 | 117.4° | 28.7° |
| N07 | C06 | C20 | H3 | 10.0° | 102.3° |
| N07 | C06 | C05 | H8 | 24.7° | 102.3° |
| N07 | C06 | C05 | H9 | 102.7° | 28.7° |
| C06 | C20 | C04 | H2 | 116.3° | 114.5° |
| C06 | C20 | C04 | H3 | 116.3° | 114.5° |
| C06 | C20 | C04 | C03 | 136.2° | 139.3° |
| C06 | C20 | H2 | H3 | 129.9° | 131.4° |
| C06 | C20 | C04 | H7 | 94.9° | 90.0° |
| C20 | C06 | C05 | H8 | 100.6° | 139.4° |
| C20 | C06 | C05 | H9 | 132.0° | 89.6° |
| C20 | C06 | N07 | H13 | 43.8° | 50.8° |
| C20 | C04 | C03 | H7 | 129.0° | 131.1° |
| C20 | C04 | C03 | C02 | 165.2° | 120.0° |
| C20 | C04 | C03 | C21 | 17.4° | 60.0° |
| C04 | C20 | H2 | H3 | 129.9° | 131.4° |
| C20 | C04 | C05 | H8 | 100.5° | 139.2° |
| C20 | C04 | C05 | H9 | 132.1° | 89.8° |
| C04 | C03 | C02 | C21 | 177.4° | 179.9° |
| C04 | C03 | C02 | C24 | 179.3° | 179.5° |
| C04 | C03 | C21 | C22 | 178.9° | 180.0° |
| C03 | C04 | C20 | H2 | 107.6° | 24.8° |
| C03 | C04 | C20 | H3 | 19.9° | 106.3° |
| C04 | C03 | C21 | H4 | 1.1° | 0.2° |
| C03 | C04 | C05 | H8 | 24.2° | 106.2° |
| C03 | C04 | C05 | H9 | 103.2° | 24.8° |
| C03 | C02 | C24 | C23 | 1.1° | 0.8° |
| C02 | C03 | C21 | C22 | 1.6° | 0.1° |
| C02 | C03 | C21 | H4 | 178.4° | 179.7° |
| C03 | C02 | C24 | H6 | 178.9° | 179.8° |
| C02 | C03 | C04 | H7 | 36.2° | 11.1° |
| C24 | C02 | C03 | C21 | 1.9° | 0.6° |
| C02 | C24 | C23 | H6 | 180.0° | 179.4° |
| C02 | C24 | C23 | C22 | 0.2° | 0.5° |
| C02 | C24 | C23 | H12 | 179.9° | 180.0° |
| C03 | C21 | C22 | H4 | 180.0° | 179.8° |
| C03 | C21 | C22 | C23 | 0.6° | 0.2° |
| C03 | C21 | C22 | H5 | 179.4° | 179.8° |
| C21 | C03 | C04 | H7 | 146.4° | 168.8° |
| C24 | C23 | C22 | C21 | 0.1° | 0.0° |
| C24 | C23 | C22 | H12 | 180.0° | 179.4° |
| C24 | C23 | C22 | H5 | 179.9° | 180.0° |
| C21 | C22 | C23 | H5 | 180.0° | 180.0° |
| C21 | C22 | C23 | H12 | 179.9° | 179.4° |
| C23 | C22 | C21 | H4 | 179.4° | 180.0° |
| C22 | C23 | C24 | H6 | 179.8° | 179.9° |
| H2 | C20 | C04 | H7 | 21.4° | 155.5° |
| H3 | C20 | C04 | H7 | 148.8° | 24.5° |
| H4 | C21 | C22 | H5 | 0.6° | 0.0° |
| H5 | C22 | C23 | H12 | 0.1° | 0.5° |
| H6 | C24 | C23 | H12 | 0.1° | 0.6° |
| H7 | C04 | C05 | H8 | 148.9° | 24.5° |
| H7 | C04 | C05 | H9 | 21.5° | 155.6° |






