A1CDG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | N26 | sing | 1.32Å | 1.33Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| N26 | C21 | doub | 1.33Å | 1.32Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C19 | sing | 1.48Å | 1.51Å | |
| O13 | C12 | doub | 1.22Å | 1.19Å | |
| C20 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
| C20 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C14 | sing | 1.48Å | 1.51Å | |
| C12 | N11 | sing | 1.35Å | 1.43Å | |
| C14 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| N10 | N11 | sing | 1.40Å | 1.41Å | |
| N10 | S07 | sing | 1.66Å | 1.69Å | |
| O08 | S07 | doub | 1.42Å | 1.45Å | |
| C18 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| S07 | O09 | doub | 1.42Å | 1.47Å | |
| S07 | C03 | sing | 1.76Å | 1.79Å | |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | F17 | sing | 1.35Å | 1.36Å | |
| C03 | S04 | sing | 1.76Å | 1.61Å | Aromatic |
| C03 | C02 | doub | 1.34Å | 1.41Å | Aromatic |
| S04 | C05 | sing | 1.76Å | 1.62Å | Aromatic |
| F01 | C02 | sing | 1.35Å | 1.36Å | |
| C02 | C06 | sing | 1.38Å | 1.51Å | Aromatic |
| C05 | C06 | doub | 1.33Å | 1.43Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C23 | H8 | sing | 1.08Å | 1.08Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 120.3° | 119.4° |
| C24 | C25 | N26 | 121.2° | 120.8° |
| C25 | C24 | H4 | 119.8° | 120.2° |
| C24 | C25 | H9 | 119.4° | 119.6° |
| C24 | C23 | C22 | 117.1° | 118.5° |
| C23 | C24 | H4 | 119.9° | 120.4° |
| C24 | C23 | H8 | 121.4° | 120.8° |
| C25 | N26 | C21 | 119.4° | 121.6° |
| N26 | C25 | H9 | 119.5° | 119.6° |
| C23 | C22 | C21 | 118.8° | 119.0° |
| C23 | C22 | H3 | 120.6° | 120.5° |
| C22 | C23 | H8 | 121.5° | 120.7° |
| N26 | C21 | C22 | 123.2° | 120.5° |
| N26 | C21 | C19 | 119.9° | 119.7° |
| C22 | C21 | C19 | 116.8° | 119.7° |
| C21 | C22 | H3 | 120.6° | 120.5° |
| C21 | C19 | C20 | 117.3° | 120.0° |
| C21 | C19 | C18 | 121.2° | 120.1° |
| O13 | C12 | C14 | 123.7° | 120.0° |
| O13 | C12 | N11 | 122.4° | 120.0° |
| C19 | C20 | C14 | 119.3° | 119.8° |
| C20 | C19 | C18 | 121.4° | 119.9° |
| C19 | C20 | H2 | 120.4° | 120.2° |
| C20 | C14 | C12 | 119.3° | 120.1° |
| C20 | C14 | C15 | 120.7° | 119.9° |
| C14 | C20 | H2 | 120.4° | 120.1° |
| C19 | C18 | C16 | 118.6° | 120.1° |
| C19 | C18 | H7 | 120.7° | 119.9° |
| C14 | C12 | N11 | 113.7° | 120.0° |
| C12 | C14 | C15 | 120.0° | 120.1° |
| C12 | N11 | N10 | 120.4° | 120.0° |
| C12 | N11 | H11 | 119.8° | 120.0° |
| C14 | C15 | C16 | 119.0° | 120.0° |
| C14 | C15 | H1 | 120.5° | 120.0° |
| N11 | N10 | S07 | 118.4° | 120.0° |
| N11 | N10 | H10 | 107.2° | 120.0° |
| N10 | N11 | H11 | 119.8° | 120.0° |
| N10 | S07 | O08 | 110.7° | 106.4° |
| N10 | S07 | O09 | 111.4° | 106.4° |
| N10 | S07 | C03 | 110.8° | 107.2° |
| S07 | N10 | H10 | 107.2° | 120.0° |
| O08 | S07 | O09 | 106.3° | 123.1° |
| O08 | S07 | C03 | 109.3° | 106.4° |
| C18 | C16 | C15 | 121.1° | 120.3° |
| C18 | C16 | F17 | 118.5° | 119.9° |
| C16 | C18 | H7 | 120.7° | 119.9° |
| O09 | S07 | C03 | 108.1° | 106.4° |
| S07 | C03 | S04 | 124.1° | 125.2° |
| S07 | C03 | C02 | 124.0° | 125.2° |
| C15 | C16 | F17 | 120.4° | 119.8° |
| C16 | C15 | H1 | 120.5° | 120.0° |
| S04 | C03 | C02 | 111.8° | 109.6° |
| C03 | S04 | C05 | 99.1° | 91.0° |
| C03 | C02 | F01 | 123.1° | 122.5° |
| C03 | C02 | C06 | 109.2° | 114.9° |
| S04 | C05 | C06 | 110.1° | 109.6° |
| S04 | C05 | H5 | 124.9° | 125.2° |
| F01 | C02 | C06 | 127.7° | 122.6° |
| C02 | C06 | C05 | 109.8° | 114.9° |
| C02 | C06 | H6 | 125.1° | 122.6° |
| C06 | C05 | H5 | 124.9° | 125.2° |
| C05 | C06 | H6 | 125.1° | 122.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H4 | 180.0° | 179.2° |
| C24 | C25 | N26 | H9 | 180.0° | 179.1° |
| C25 | C24 | C23 | C22 | 0.1° | 0.5° |
| C24 | C25 | N26 | C21 | 1.2° | 0.6° |
| C25 | C24 | C23 | H8 | 179.9° | 179.4° |
| C23 | C24 | C25 | N26 | 0.0° | 0.9° |
| C24 | C23 | C22 | H8 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.8° | 0.0° |
| C24 | C23 | C22 | H3 | 179.2° | 180.0° |
| C23 | C24 | C25 | H9 | 179.9° | 180.0° |
| C25 | N26 | C21 | C22 | 2.2° | 0.0° |
| C25 | N26 | C21 | C19 | 177.6° | 179.7° |
| N26 | C25 | C24 | H4 | 180.0° | 180.0° |
| C23 | C22 | C21 | N26 | 2.0° | 0.3° |
| C23 | C22 | C21 | H3 | 180.0° | 180.0° |
| C23 | C22 | C21 | C19 | 177.6° | 180.0° |
| C22 | C23 | C24 | H4 | 179.9° | 179.7° |
| N26 | C21 | C22 | C19 | 175.5° | 179.7° |
| N26 | C21 | C19 | C20 | 48.5° | 0.3° |
| N26 | C21 | C19 | C18 | 134.2° | 178.9° |
| N26 | C21 | C22 | H3 | 177.9° | 179.7° |
| C21 | N26 | C25 | H9 | 178.8° | 179.7° |
| C22 | C21 | C19 | C20 | 127.1° | 180.0° |
| C22 | C21 | C19 | C18 | 50.1° | 0.8° |
| C21 | C22 | C23 | H8 | 179.2° | 180.0° |
| C21 | C19 | C20 | C18 | 177.3° | 179.2° |
| C21 | C19 | C20 | C14 | 178.2° | 180.0° |
| C21 | C19 | C18 | C16 | 178.0° | 179.8° |
| C21 | C19 | C20 | H2 | 1.8° | 0.0° |
| C19 | C21 | C22 | H3 | 2.4° | 0.0° |
| C21 | C19 | C18 | H7 | 2.0° | 0.3° |
| O13 | C12 | C14 | C20 | 37.8° | 0.0° |
| O13 | C12 | C14 | N11 | 174.4° | 180.0° |
| O13 | C12 | C14 | C15 | 145.4° | 180.0° |
| O13 | C12 | N11 | N10 | 2.7° | 0.0° |
| O13 | C12 | N11 | H11 | 177.3° | 180.0° |
| C19 | C20 | C14 | H2 | 180.0° | 180.0° |
| C19 | C20 | C14 | C12 | 177.6° | 179.5° |
| C19 | C20 | C14 | C15 | 0.8° | 0.5° |
| C20 | C19 | C18 | C16 | 0.8° | 0.6° |
| C20 | C19 | C18 | H7 | 179.2° | 179.5° |
| C14 | C20 | C19 | C18 | 1.0° | 0.8° |
| C20 | C14 | C12 | C15 | 176.8° | 180.0° |
| C20 | C14 | C12 | N11 | 136.7° | 180.0° |
| C20 | C14 | C15 | C16 | 0.5° | 0.0° |
| C20 | C14 | C15 | H1 | 179.5° | 179.8° |
| C19 | C18 | C16 | H7 | 180.0° | 179.9° |
| C19 | C18 | C16 | C15 | 0.6° | 0.1° |
| C19 | C18 | C16 | F17 | 179.6° | 180.0° |
| C18 | C19 | C20 | H2 | 179.0° | 179.2° |
| C14 | C12 | N11 | N10 | 177.2° | 180.0° |
| C12 | C14 | C15 | C16 | 177.3° | 180.0° |
| C12 | C14 | C15 | H1 | 2.8° | 0.3° |
| C12 | C14 | C20 | H2 | 2.4° | 0.5° |
| C14 | C12 | N11 | H11 | 2.8° | 0.0° |
| N11 | C12 | C14 | C15 | 40.1° | 0.0° |
| C12 | N11 | N10 | H11 | 180.0° | 180.0° |
| C12 | N11 | N10 | S07 | 102.5° | 125.0° |
| C12 | N11 | N10 | H10 | 136.2° | 55.0° |
| C14 | C15 | C16 | C18 | 0.4° | 0.2° |
| C14 | C15 | C16 | H1 | 180.0° | 179.7° |
| C14 | C15 | C16 | F17 | 179.8° | 179.7° |
| C15 | C14 | C20 | H2 | 179.2° | 179.5° |
| N11 | N10 | S07 | H10 | 121.3° | 180.0° |
| N11 | N10 | S07 | O08 | 168.6° | 53.5° |
| N11 | N10 | S07 | O09 | 50.5° | 173.5° |
| N11 | N10 | S07 | C03 | 69.9° | 60.0° |
| N10 | S07 | O08 | O09 | 121.2° | 123.0° |
| N10 | S07 | O08 | C03 | 122.3° | 114.1° |
| N10 | S07 | O09 | C03 | 122.0° | 114.1° |
| N10 | S07 | C03 | S04 | 113.5° | 0.0° |
| N10 | S07 | C03 | C02 | 67.2° | 180.0° |
| S07 | N10 | N11 | H11 | 77.5° | 55.0° |
| O08 | S07 | O09 | C03 | 117.3° | 122.9° |
| O08 | S07 | C03 | S04 | 8.8° | 113.6° |
| O08 | S07 | C03 | C02 | 170.5° | 66.4° |
| O08 | S07 | N10 | H10 | 70.1° | 126.5° |
| C18 | C16 | C15 | F17 | 179.8° | 180.0° |
| C18 | C16 | C15 | H1 | 179.6° | 180.0° |
| O09 | S07 | C03 | S04 | 124.1° | 113.5° |
| O09 | S07 | C03 | C02 | 55.2° | 66.5° |
| O09 | S07 | N10 | H10 | 171.8° | 6.5° |
| S07 | C03 | S04 | C02 | 179.4° | 180.0° |
| S07 | C03 | S04 | C05 | 179.7° | 180.0° |
| S07 | C03 | C02 | F01 | 1.2° | 0.4° |
| S07 | C03 | C02 | C06 | 179.8° | 180.0° |
| C03 | S07 | N10 | H10 | 51.4° | 120.0° |
| C15 | C16 | C18 | H7 | 179.5° | 180.0° |
| F17 | C16 | C15 | H1 | 0.2° | 0.0° |
| F17 | C16 | C18 | H7 | 0.4° | 0.1° |
| S04 | C03 | C02 | F01 | 178.2° | 179.7° |
| S04 | C03 | C02 | C06 | 0.4° | 0.1° |
| C03 | S04 | C05 | C06 | 0.2° | 0.1° |
| C03 | S04 | C05 | H5 | 179.8° | 179.9° |
| C02 | C03 | S04 | C05 | 0.4° | 0.0° |
| C03 | C02 | F01 | C06 | 178.3° | 179.6° |
| C03 | C02 | C06 | C05 | 0.2° | 0.1° |
| C03 | C02 | C06 | H6 | 179.8° | 180.0° |
| S04 | C05 | C06 | C02 | 0.0° | 0.1° |
| S04 | C05 | C06 | H5 | 180.0° | 179.9° |
| S04 | C05 | C06 | H6 | 180.0° | 180.0° |
| F01 | C02 | C06 | C05 | 178.3° | 179.7° |
| F01 | C02 | C06 | H6 | 1.7° | 0.4° |
| C02 | C06 | C05 | H6 | 180.0° | 179.9° |
| C02 | C06 | C05 | H5 | 180.0° | 180.0° |
| H3 | C22 | C23 | H8 | 0.8° | 0.0° |
| H4 | C24 | C23 | H8 | 0.1° | 0.2° |
| H4 | C24 | C25 | H9 | 0.1° | 0.8° |
| H5 | C05 | C06 | H6 | 0.1° | 0.1° |
| H10 | N10 | N11 | H11 | 43.8° | 125.0° |
