A1A4G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | N02 | sing | 1.40Å | 1.42Å | |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | N03 | sing | 1.40Å | 1.43Å | |
| C07 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C07 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| C07 | N01 | sing | 1.40Å | 1.42Å | |
| C08 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| N01 | N02 | sing | 1.40Å | 1.26Å | |
| N03 | C15 | sing | 1.34Å | 1.40Å | |
| N03 | C16 | sing | 1.34Å | 1.42Å | |
| C13 | C14 | sing | 1.54Å | 1.53Å | |
| C13 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | O01 | doub | 1.21Å | 1.22Å | |
| C16 | O02 | doub | 1.21Å | 1.21Å | |
| C10 | H07 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C04 | H03 | sing | 1.08Å | 1.08Å | |
| C05 | H04 | sing | 1.08Å | 1.08Å | |
| C08 | H05 | sing | 1.08Å | 1.08Å | |
| C09 | H06 | sing | 1.08Å | 1.08Å | |
| C11 | H08 | sing | 1.08Å | 1.08Å | |
| C12 | H09 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| N02 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 119.3° | 120.0° |
| C01 | C02 | C03 | 120.7° | 120.0° |
| C02 | C01 | H01 | 120.4° | 120.0° |
| C01 | C02 | H02 | 119.6° | 119.9° |
| C01 | C06 | C05 | 120.5° | 120.0° |
| C01 | C06 | N03 | 119.7° | 120.0° |
| C06 | C01 | H01 | 120.3° | 120.0° |
| C02 | C03 | C04 | 119.5° | 120.0° |
| C02 | C03 | N02 | 115.6° | 120.0° |
| C03 | C02 | H02 | 119.7° | 120.0° |
| C04 | C03 | N02 | 124.9° | 120.0° |
| C03 | C04 | C05 | 120.1° | 120.0° |
| C03 | C04 | H03 | 120.0° | 120.0° |
| C03 | N02 | N01 | 114.5° | 120.0° |
| C03 | N02 | H2 | 108.2° | 120.0° |
| C04 | C05 | C06 | 119.9° | 120.0° |
| C05 | C04 | H03 | 120.0° | 120.0° |
| C04 | C05 | H04 | 120.0° | 120.0° |
| C05 | C06 | N03 | 119.8° | 120.0° |
| C06 | C05 | H04 | 120.1° | 120.0° |
| C06 | N03 | C15 | 123.8° | 122.7° |
| C06 | N03 | C16 | 123.6° | 122.8° |
| C08 | C07 | C09 | 120.0° | 119.8° |
| C08 | C07 | N01 | 115.4° | 120.1° |
| C07 | C08 | C10 | 120.2° | 119.9° |
| C07 | C08 | H05 | 119.9° | 120.0° |
| C09 | C07 | N01 | 124.7° | 120.1° |
| C07 | C09 | C11 | 119.5° | 119.9° |
| C07 | C09 | H06 | 120.2° | 120.0° |
| C07 | N01 | N02 | 115.0° | 120.0° |
| C07 | N01 | H1 | 108.0° | 120.0° |
| C08 | C10 | C12 | 119.8° | 120.1° |
| C08 | C10 | H07 | 120.1° | 119.9° |
| C10 | C08 | H05 | 119.9° | 120.1° |
| C09 | C11 | C12 | 120.4° | 120.1° |
| C11 | C09 | H06 | 120.3° | 120.0° |
| C09 | C11 | H08 | 119.7° | 119.9° |
| C10 | C12 | C11 | 120.1° | 120.1° |
| C12 | C10 | H07 | 120.1° | 120.0° |
| C10 | C12 | H09 | 119.9° | 120.0° |
| C12 | C11 | H08 | 119.8° | 120.0° |
| C11 | C12 | H09 | 120.0° | 119.9° |
| N02 | N01 | H1 | 108.1° | 120.0° |
| N01 | N02 | H2 | 108.2° | 120.0° |
| C15 | N03 | C16 | 112.6° | 114.5° |
| N03 | C15 | C13 | 108.5° | 109.2° |
| N03 | C15 | O01 | 124.7° | 125.5° |
| N03 | C16 | C14 | 107.8° | 109.2° |
| N03 | C16 | O02 | 124.9° | 125.4° |
| C14 | C13 | C15 | 104.5° | 103.5° |
| C13 | C14 | C16 | 105.8° | 103.6° |
| C14 | C13 | H10 | 110.7° | 110.6° |
| C14 | C13 | H3 | 110.7° | 110.6° |
| C13 | C14 | H12 | 110.4° | 110.6° |
| C13 | C14 | H11 | 110.4° | 110.6° |
| C13 | C15 | O01 | 126.8° | 125.4° |
| C15 | C13 | H10 | 110.7° | 110.6° |
| C15 | C13 | H3 | 110.7° | 110.6° |
| C14 | C16 | O02 | 127.2° | 125.4° |
| C16 | C14 | H12 | 110.4° | 110.6° |
| C16 | C14 | H11 | 110.4° | 110.6° |
| H10 | C13 | H3 | 109.4° | 110.7° |
| H12 | C14 | H11 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | H01 | 180.0° | 179.8° |
| C01 | C02 | C03 | H02 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.3° | 0.1° |
| C01 | C02 | C03 | N02 | 179.8° | 180.0° |
| C02 | C01 | C06 | C05 | 0.1° | 0.1° |
| C02 | C01 | C06 | N03 | 179.6° | 180.0° |
| C06 | C01 | C02 | C03 | 0.3° | 0.1° |
| C01 | C06 | C05 | C04 | 0.4° | 0.1° |
| C01 | C06 | C05 | N03 | 179.5° | 179.8° |
| C01 | C06 | N03 | C15 | 137.0° | 67.4° |
| C01 | C06 | N03 | C16 | 43.0° | 112.7° |
| C06 | C01 | C02 | H02 | 179.7° | 180.0° |
| C01 | C06 | C05 | H04 | 179.6° | 180.0° |
| C02 | C03 | C04 | N02 | 179.9° | 179.9° |
| C02 | C03 | C04 | C05 | 0.1° | 0.1° |
| C02 | C03 | N02 | N01 | 179.2° | 180.0° |
| C03 | C02 | C01 | H01 | 179.7° | 179.7° |
| C02 | C03 | C04 | H03 | 179.9° | 180.0° |
| C02 | C03 | N02 | H2 | 60.0° | 0.0° |
| C03 | C04 | C05 | H03 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.4° | 0.1° |
| C04 | C03 | N02 | N01 | 0.9° | 0.1° |
| C04 | C03 | C02 | H02 | 179.7° | 180.0° |
| C03 | C04 | C05 | H04 | 179.5° | 180.0° |
| C04 | C03 | N02 | H2 | 119.9° | 180.0° |
| N02 | C03 | C04 | C05 | 179.8° | 180.0° |
| C03 | N02 | N01 | C07 | 179.9° | 180.0° |
| C03 | N02 | N01 | H2 | 120.8° | 179.9° |
| N02 | C03 | C02 | H02 | 0.1° | 0.1° |
| N02 | C03 | C04 | H03 | 0.2° | 0.0° |
| C03 | N02 | N01 | H1 | 59.1° | 0.1° |
| C04 | C05 | C06 | H04 | 180.0° | 179.9° |
| C04 | C05 | C06 | N03 | 179.9° | 180.0° |
| C05 | C06 | N03 | C15 | 43.5° | 112.8° |
| C05 | C06 | N03 | C16 | 136.5° | 67.1° |
| C05 | C06 | C01 | H01 | 179.9° | 179.7° |
| C06 | C05 | C04 | H03 | 179.6° | 179.9° |
| C06 | N03 | C15 | C16 | 180.0° | 179.9° |
| C06 | N03 | C15 | C13 | 176.9° | 180.0° |
| C06 | N03 | C16 | C14 | 177.0° | 180.0° |
| C06 | N03 | C15 | O01 | 1.3° | 0.0° |
| C06 | N03 | C16 | O02 | 1.9° | 0.1° |
| N03 | C06 | C01 | H01 | 0.4° | 0.1° |
| N03 | C06 | C05 | H04 | 0.1° | 0.2° |
| C08 | C07 | C09 | N01 | 179.9° | 180.0° |
| C07 | C08 | C10 | H05 | 180.0° | 179.9° |
| C08 | C07 | C09 | C11 | 0.0° | 0.3° |
| C07 | C08 | C10 | C12 | 0.0° | 0.0° |
| C08 | C07 | N01 | N02 | 179.7° | 180.0° |
| C07 | C08 | C10 | H07 | 180.0° | 179.7° |
| C08 | C07 | C09 | H06 | 180.0° | 180.0° |
| C08 | C07 | N01 | H1 | 59.5° | 0.0° |
| C09 | C07 | C08 | C10 | 0.0° | 0.0° |
| C07 | C09 | C11 | H06 | 180.0° | 179.7° |
| C07 | C09 | C11 | C12 | 0.0° | 0.5° |
| C09 | C07 | N01 | N02 | 0.3° | 0.0° |
| C09 | C07 | C08 | H05 | 180.0° | 179.9° |
| C07 | C09 | C11 | H08 | 180.0° | 180.0° |
| C09 | C07 | N01 | H1 | 120.5° | 180.0° |
| N01 | C07 | C08 | C10 | 180.0° | 180.0° |
| N01 | C07 | C09 | C11 | 180.0° | 179.7° |
| C07 | N01 | N02 | H1 | 120.8° | 179.9° |
| N01 | C07 | C08 | H05 | 0.0° | 0.1° |
| N01 | C07 | C09 | H06 | 0.1° | 0.0° |
| C07 | N01 | N02 | H2 | 59.1° | 0.1° |
| C08 | C10 | C12 | H07 | 180.0° | 179.7° |
| C08 | C10 | C12 | C11 | 0.1° | 0.3° |
| C08 | C10 | C12 | H09 | 179.9° | 179.6° |
| C09 | C11 | C12 | C10 | 0.1° | 0.5° |
| C09 | C11 | C12 | H08 | 180.0° | 179.4° |
| C09 | C11 | C12 | H09 | 179.9° | 179.4° |
| C10 | C12 | C11 | H09 | 180.0° | 179.9° |
| C12 | C10 | C08 | H05 | 180.0° | 179.9° |
| C10 | C12 | C11 | H08 | 180.0° | 180.0° |
| C11 | C12 | C10 | H07 | 180.0° | 180.0° |
| C12 | C11 | C09 | H06 | 180.0° | 179.8° |
| N03 | C15 | C13 | C14 | 7.7° | 0.0° |
| N03 | C15 | C13 | O01 | 178.2° | 180.0° |
| C15 | N03 | C16 | C14 | 3.0° | 0.0° |
| C15 | N03 | C16 | O02 | 178.1° | 180.0° |
| N03 | C15 | C13 | H10 | 126.9° | 118.5° |
| N03 | C15 | C13 | H3 | 111.5° | 118.5° |
| N03 | C16 | C14 | C13 | 7.7° | 0.0° |
| C16 | N03 | C15 | C13 | 3.1° | 0.1° |
| N03 | C16 | C14 | O02 | 178.8° | 179.9° |
| C16 | N03 | C15 | O01 | 178.7° | 179.9° |
| N03 | C16 | C14 | H12 | 127.1° | 118.4° |
| N03 | C16 | C14 | H11 | 111.7° | 118.6° |
| C14 | C13 | C15 | H10 | 119.2° | 118.5° |
| C14 | C13 | C15 | H3 | 119.2° | 118.5° |
| C13 | C14 | C16 | H12 | 119.4° | 118.5° |
| C13 | C14 | C16 | H11 | 119.4° | 118.5° |
| C14 | C13 | C15 | O01 | 174.1° | 180.0° |
| C13 | C14 | C16 | O02 | 173.4° | 179.9° |
| C14 | C13 | H10 | H3 | 122.3° | 122.9° |
| C13 | C14 | H12 | H11 | 121.7° | 122.9° |
| C15 | C13 | C14 | C16 | 9.2° | 0.0° |
| C15 | C13 | H10 | H3 | 122.3° | 122.9° |
| C15 | C13 | C14 | H12 | 128.6° | 118.5° |
| C15 | C13 | C14 | H11 | 110.3° | 118.5° |
| C16 | C14 | C13 | H10 | 128.4° | 118.5° |
| C16 | C14 | C13 | H3 | 110.1° | 118.5° |
| C16 | C14 | H12 | H11 | 121.7° | 123.0° |
| O01 | C15 | C13 | H10 | 54.9° | 61.5° |
| O01 | C15 | C13 | H3 | 66.7° | 61.5° |
| O02 | C16 | C14 | H12 | 54.0° | 61.5° |
| O02 | C16 | C14 | H11 | 67.2° | 61.5° |
| H07 | C10 | C08 | H05 | 0.0° | 0.4° |
| H07 | C10 | C12 | H09 | 0.0° | 0.1° |
| H10 | C13 | C14 | H12 | 112.2° | 0.0° |
| H10 | C13 | C14 | H11 | 9.0° | 123.0° |
| H3 | C13 | C14 | H12 | 9.4° | 123.0° |
| H3 | C13 | C14 | H11 | 130.5° | 0.0° |
| H01 | C01 | C02 | H02 | 0.3° | 0.2° |
| H03 | C04 | C05 | H04 | 0.4° | 0.1° |
| H06 | C09 | C11 | H08 | 0.0° | 0.3° |
| H08 | C11 | C12 | H09 | 0.1° | 0.1° |
| H1 | N01 | N02 | H2 | 61.7° | NaN° |
