A1CBL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C2 | sing | 1.35Å | 1.35Å | |
| C2 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | N9 | sing | 1.47Å | 1.51Å | |
| N9 | C10 | sing | 1.47Å | 1.50Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | N12 | sing | 1.47Å | 1.50Å | |
| N12 | C13 | sing | 1.47Å | 1.49Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| N12 | C16 | sing | 1.47Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C7 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | N9 | sing | 1.47Å | 1.49Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14C | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C15 | H15C | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C2 | C3 | 118.5° | 120.0° |
| F1 | C2 | C7 | 117.9° | 120.1° |
| C2 | C3 | C4 | 118.4° | 119.9° |
| C3 | C2 | C7 | 123.6° | 119.9° |
| C2 | C3 | H3 | 120.8° | 120.0° |
| C3 | C4 | C5 | 120.1° | 120.0° |
| C4 | C3 | H3 | 120.8° | 120.0° |
| C3 | C4 | H4 | 119.9° | 119.9° |
| C4 | C5 | C6 | 120.1° | 120.0° |
| C5 | C4 | H4 | 119.9° | 120.0° |
| C4 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | C7 | 120.9° | 120.1° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | H6 | 119.5° | 120.0° |
| C6 | C7 | C8 | 120.7° | 120.0° |
| C6 | C7 | C2 | 116.9° | 120.0° |
| C7 | C6 | H6 | 119.5° | 120.0° |
| C7 | C8 | N9 | 113.1° | 109.5° |
| C8 | C7 | C2 | 122.4° | 120.0° |
| C7 | C8 | H8B | 108.6° | 109.5° |
| C7 | C8 | H8A | 108.6° | 109.5° |
| C8 | N9 | C10 | 111.0° | 111.0° |
| C8 | N9 | C17 | 110.9° | 111.0° |
| N9 | C8 | H8B | 108.5° | 109.5° |
| N9 | C8 | H8A | 108.5° | 109.5° |
| N9 | C10 | C11 | 109.6° | 109.4° |
| C10 | N9 | C17 | 110.0° | 110.9° |
| N9 | C10 | H10A | 109.4° | 109.4° |
| N9 | C10 | H10B | 109.4° | 109.5° |
| C10 | C11 | N12 | 111.1° | 109.3° |
| C11 | C10 | H10A | 109.5° | 109.5° |
| C11 | C10 | H10B | 109.4° | 109.5° |
| C10 | C11 | H11A | 109.0° | 109.5° |
| C10 | C11 | H11B | 109.1° | 109.5° |
| C11 | N12 | C13 | 114.0° | 111.0° |
| C11 | N12 | C16 | 108.9° | 110.9° |
| N12 | C11 | H11A | 109.1° | 109.5° |
| N12 | C11 | H11B | 109.0° | 109.5° |
| N12 | C13 | C14 | 110.0° | 109.5° |
| N12 | C13 | C15 | 112.5° | 109.5° |
| C13 | N12 | C16 | 113.6° | 111.0° |
| N12 | C13 | H13 | 107.9° | 109.5° |
| C14 | C13 | C15 | 111.3° | 109.5° |
| C14 | C13 | H13 | 107.5° | 109.4° |
| C13 | C14 | H14B | 109.5° | 109.5° |
| C13 | C14 | H14A | 109.5° | 109.5° |
| C13 | C14 | H14C | 109.5° | 109.4° |
| C15 | C13 | H13 | 107.5° | 109.5° |
| C13 | C15 | H15B | 109.5° | 109.5° |
| C13 | C15 | H15C | 109.5° | 109.5° |
| C13 | C15 | H15A | 109.5° | 109.5° |
| N12 | C16 | C17 | 109.9° | 109.4° |
| N12 | C16 | H16A | 109.4° | 109.4° |
| N12 | C16 | H16B | 109.4° | 109.5° |
| C16 | C17 | N9 | 108.7° | 109.4° |
| C17 | C16 | H16A | 109.4° | 109.5° |
| C17 | C16 | H16B | 109.3° | 109.5° |
| C16 | C17 | H17B | 109.7° | 109.4° |
| C16 | C17 | H17A | 109.6° | 109.5° |
| N9 | C17 | H17B | 109.6° | 109.5° |
| N9 | C17 | H17A | 109.7° | 109.5° |
| H8B | C8 | H8A | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.4° |
| H11A | C11 | H11B | 109.5° | 109.6° |
| H14B | C14 | H14A | 109.5° | 109.5° |
| H14B | C14 | H14C | 109.4° | 109.5° |
| H14A | C14 | H14C | 109.5° | 109.4° |
| H15B | C15 | H15C | 109.5° | 109.4° |
| H15B | C15 | H15A | 109.4° | 109.5° |
| H15C | C15 | H15A | 109.5° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| H17B | C17 | H17A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C2 | C3 | C7 | 179.1° | 179.7° |
| F1 | C2 | C3 | C4 | 179.1° | 179.7° |
| F1 | C2 | C7 | C6 | 179.1° | 179.7° |
| F1 | C2 | C7 | C8 | 2.2° | 0.3° |
| F1 | C2 | C3 | H3 | 0.9° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | C7 | C6 | 0.1° | 0.0° |
| C3 | C2 | C7 | C8 | 178.6° | 180.0° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C4 | C3 | C2 | C7 | 0.1° | 0.0° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.0° |
| C5 | C4 | C3 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 178.7° | 180.0° |
| C5 | C6 | C7 | C2 | 0.0° | 0.0° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C6 | C7 | C8 | C2 | 178.6° | 180.0° |
| C6 | C7 | C8 | N9 | 1.6° | 105.2° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | H8B | 122.1° | 14.8° |
| C6 | C7 | C8 | H8A | 118.9° | 134.8° |
| C7 | C8 | N9 | H8B | 120.5° | 120.0° |
| C7 | C8 | N9 | H8A | 120.5° | 120.0° |
| C7 | C8 | N9 | C10 | 148.5° | 71.9° |
| C7 | C8 | N9 | C17 | 88.9° | 164.3° |
| C8 | C7 | C6 | H6 | 1.3° | 0.0° |
| C7 | C8 | H8B | H8A | 118.4° | 120.0° |
| C8 | N9 | C10 | C17 | 123.2° | 123.9° |
| C8 | N9 | C10 | C11 | 134.0° | 176.8° |
| C8 | N9 | C17 | C16 | 71.2° | 176.8° |
| N9 | C8 | C7 | C2 | 177.0° | 74.8° |
| N9 | C8 | H8B | H8A | 118.3° | 120.0° |
| C8 | N9 | C10 | H10A | 105.9° | 63.2° |
| C8 | N9 | C10 | H10B | 14.0° | 56.8° |
| C8 | N9 | C17 | H17B | 168.9° | 56.9° |
| C8 | N9 | C17 | H17A | 48.6° | 63.2° |
| N9 | C10 | C11 | H10A | 120.0° | 119.9° |
| N9 | C10 | C11 | H10B | 120.0° | 120.0° |
| N9 | C10 | C11 | N12 | 64.1° | 58.4° |
| C10 | N9 | C17 | C16 | 52.0° | 59.3° |
| C10 | N9 | C8 | H8B | 28.0° | 48.1° |
| C10 | N9 | C8 | H8A | 91.0° | 168.1° |
| N9 | C10 | H10A | H10B | 119.9° | 120.0° |
| N9 | C10 | C11 | H11A | 56.1° | 61.5° |
| N9 | C10 | C11 | H11B | 175.6° | 178.3° |
| C10 | N9 | C17 | H17B | 67.9° | 179.2° |
| C10 | N9 | C17 | H17A | 171.9° | 60.7° |
| C10 | C11 | N12 | H11A | 120.2° | 119.9° |
| C10 | C11 | N12 | H11B | 120.3° | 120.0° |
| C10 | C11 | N12 | C13 | 175.8° | 176.9° |
| C10 | C11 | N12 | C16 | 47.8° | 59.3° |
| C11 | C10 | N9 | C17 | 10.8° | 59.3° |
| C11 | C10 | H10A | H10B | 119.9° | 120.0° |
| C10 | C11 | H11A | H11B | 119.2° | 120.1° |
| C11 | N12 | C13 | C16 | 125.5° | 123.8° |
| C11 | N12 | C13 | C14 | 121.8° | 175.0° |
| C11 | N12 | C13 | C15 | 113.6° | 65.0° |
| C11 | N12 | C16 | C17 | 15.7° | 59.3° |
| N12 | C11 | C10 | H10A | 175.9° | 61.6° |
| N12 | C11 | C10 | H10B | 55.9° | 178.4° |
| N12 | C11 | H11A | H11B | 119.2° | 120.1° |
| C11 | N12 | C13 | H13 | 4.8° | 55.0° |
| C11 | N12 | C16 | H16A | 135.7° | 179.3° |
| C11 | N12 | C16 | H16B | 104.3° | 60.7° |
| N12 | C13 | C14 | C15 | 125.4° | 120.0° |
| N12 | C13 | C14 | H13 | 117.2° | 120.0° |
| N12 | C13 | C15 | H13 | 118.6° | 120.0° |
| C13 | N12 | C16 | C17 | 112.5° | 176.8° |
| C13 | N12 | C11 | H11A | 55.5° | 63.2° |
| C13 | N12 | C11 | H11B | 63.9° | 56.9° |
| N12 | C13 | C14 | H14B | 180.0° | 179.9° |
| N12 | C13 | C14 | H14A | 60.0° | 59.9° |
| N12 | C13 | C14 | H14C | 60.0° | 60.0° |
| N12 | C13 | C15 | H15B | 180.0° | 60.0° |
| N12 | C13 | C15 | H15C | 60.0° | 60.0° |
| N12 | C13 | C15 | H15A | 60.0° | 180.0° |
| C13 | N12 | C16 | H16A | 7.6° | 56.9° |
| C13 | N12 | C16 | H16B | 127.5° | 63.2° |
| C14 | C13 | C15 | H13 | 117.5° | 120.0° |
| C14 | C13 | N12 | C16 | 112.7° | 61.2° |
| C13 | C14 | H14B | H14A | 120.0° | 120.0° |
| C13 | C14 | H14B | H14C | 120.0° | 120.0° |
| C13 | C14 | H14A | H14C | 120.0° | 120.0° |
| C14 | C13 | C15 | H15B | 56.1° | 60.0° |
| C14 | C13 | C15 | H15C | 63.9° | 180.0° |
| C14 | C13 | C15 | H15A | 176.1° | 60.0° |
| C15 | C13 | N12 | C16 | 11.9° | 58.8° |
| C15 | C13 | C14 | H14B | 54.6° | 60.0° |
| C15 | C13 | C14 | H14A | 174.6° | 180.0° |
| C15 | C13 | C14 | H14C | 65.4° | 60.0° |
| C13 | C15 | H15B | H15C | 120.0° | 120.0° |
| C13 | C15 | H15B | H15A | 120.0° | 120.0° |
| C13 | C15 | H15C | H15A | 120.0° | 120.1° |
| N12 | C16 | C17 | H16A | 120.1° | 119.9° |
| N12 | C16 | C17 | H16B | 120.0° | 120.0° |
| N12 | C16 | C17 | N9 | 68.6° | 58.4° |
| C16 | N12 | C11 | H11A | 72.4° | 60.6° |
| C16 | N12 | C11 | H11B | 168.1° | 179.3° |
| C16 | N12 | C13 | H13 | 130.3° | 178.8° |
| N12 | C16 | H16A | H16B | 119.8° | 120.0° |
| N12 | C16 | C17 | H17B | 51.3° | 178.4° |
| N12 | C16 | C17 | H17A | 171.6° | 61.6° |
| C16 | C17 | N9 | H17B | 119.9° | 119.9° |
| C16 | C17 | N9 | H17A | 119.9° | 120.0° |
| C17 | C16 | H16A | H16B | 119.8° | 120.1° |
| C16 | C17 | H17B | H17A | 120.3° | 120.0° |
| C7 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C7 | C6 | H6 | 180.0° | 179.9° |
| C2 | C7 | C8 | H8B | 56.5° | 165.2° |
| C2 | C7 | C8 | H8A | 62.5° | 45.2° |
| C17 | N9 | C8 | H8B | 150.6° | 75.7° |
| C17 | N9 | C8 | H8A | 31.7° | 44.3° |
| C17 | N9 | C10 | H10A | 130.9° | 60.7° |
| C17 | N9 | C10 | H10B | 109.2° | 179.3° |
| N9 | C17 | C16 | H16A | 171.4° | 178.3° |
| N9 | C17 | C16 | H16B | 51.5° | 61.6° |
| N9 | C17 | H17B | H17A | 120.4° | 120.1° |
| H3 | C3 | C4 | H4 | 0.0° | 0.0° |
| H4 | C4 | C5 | H5 | 0.0° | 0.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| H10A | C10 | C11 | H11A | 63.9° | 178.5° |
| H10A | C10 | C11 | H11B | 55.6° | 58.4° |
| H10B | C10 | C11 | H11A | 176.1° | 58.5° |
| H10B | C10 | C11 | H11B | 64.4° | 61.7° |
| H13 | C13 | C14 | H14B | 62.8° | 60.0° |
| H13 | C13 | C14 | H14A | 57.2° | 60.0° |
| H13 | C13 | C14 | H14C | 177.2° | 180.0° |
| H13 | C13 | C15 | H15B | 61.4° | 180.0° |
| H13 | C13 | C15 | H15C | 178.6° | 60.1° |
| H13 | C13 | C15 | H15A | 58.6° | 60.0° |
| H14B | C14 | H14A | H14C | 119.9° | 120.0° |
| H15B | C15 | H15C | H15A | 120.0° | 120.0° |
| H16A | C16 | C17 | H17B | 68.7° | 61.7° |
| H16A | C16 | C17 | H17A | 51.5° | 58.3° |
| H16B | C16 | C17 | H17B | 171.3° | 58.4° |
| H16B | C16 | C17 | H17A | 68.4° | 178.4° |
