G30
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | F11 | sing | 1.35Å | 1.35Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| F14 | C14 | sing | 1.35Å | 1.34Å | |
| C14 | C9 | sing | 1.39Å | 1.49Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | N5 | sing | 1.40Å | 1.36Å | |
| N5 | C4 | sing | 1.35Å | 1.34Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C4 | O15 | doub | 1.21Å | 1.23Å | |
| C1 | C3 | sing | 1.53Å | 1.56Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | C1 | sing | 1.51Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| O7 | C6 | doub | 1.21Å | 1.25Å | |
| O8 | C6 | sing | 1.34Å | 1.26Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F11 | C11 | C12 | 119.1° | 120.0° |
| F11 | C11 | C10 | 119.9° | 119.9° |
| C12 | C11 | C10 | 121.1° | 120.1° |
| C11 | C12 | C13 | 121.1° | 120.1° |
| C11 | C12 | H12 | 119.4° | 119.9° |
| C11 | C10 | C9 | 120.4° | 119.9° |
| C11 | C10 | H10 | 119.8° | 120.1° |
| C13 | C12 | H12 | 119.5° | 119.9° |
| C12 | C13 | C14 | 119.6° | 120.1° |
| C12 | C13 | H13 | 120.2° | 120.0° |
| C14 | C13 | H13 | 120.2° | 119.9° |
| C13 | C14 | F14 | 120.2° | 120.1° |
| C13 | C14 | C9 | 120.4° | 119.9° |
| F14 | C14 | C9 | 119.5° | 120.0° |
| C14 | C9 | C10 | 117.5° | 119.9° |
| C14 | C9 | N5 | 117.6° | 120.1° |
| C9 | C10 | H10 | 119.8° | 120.0° |
| C10 | C9 | N5 | 124.9° | 120.1° |
| C9 | N5 | C4 | 126.4° | 120.0° |
| C9 | N5 | HN5 | 116.8° | 120.0° |
| C4 | N5 | HN5 | 116.8° | 120.1° |
| N5 | C4 | C3 | 119.3° | 120.0° |
| N5 | C4 | O15 | 121.1° | 120.1° |
| C3 | C4 | O15 | 119.5° | 120.0° |
| C4 | C3 | C1 | 125.3° | 117.5° |
| C4 | C3 | C2 | 108.7° | 117.5° |
| C4 | C3 | H3 | 93.9° | 115.5° |
| C1 | C3 | C2 | 59.2° | 60.0° |
| C1 | C3 | H3 | 128.8° | 117.6° |
| C3 | C1 | C6 | 122.5° | 117.5° |
| C3 | C1 | C2 | 59.4° | 60.0° |
| C3 | C1 | H1 | 130.5° | 117.5° |
| C2 | C3 | H3 | 143.0° | 117.5° |
| C3 | C2 | C1 | 61.4° | 60.0° |
| C3 | C2 | H2 | 130.1° | 117.5° |
| C3 | C2 | H2A | 135.2° | 117.5° |
| C6 | C1 | C2 | 110.5° | 117.5° |
| C6 | C1 | H1 | 94.3° | 115.6° |
| C1 | C6 | O7 | 118.3° | 120.0° |
| C1 | C6 | O8 | 120.1° | 120.0° |
| C2 | C1 | H1 | 140.6° | 117.5° |
| C1 | C2 | H2 | 130.1° | 117.5° |
| C1 | C2 | H2A | 135.2° | 117.5° |
| H2 | C2 | H2A | 75.8° | 115.6° |
| O7 | C6 | O8 | 121.5° | 119.9° |
| C6 | O8 | HO8 | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F11 | C11 | C12 | C10 | 179.9° | 179.8° |
| F11 | C11 | C12 | C13 | 179.6° | 180.0° |
| F11 | C11 | C12 | H12 | 0.4° | 0.0° |
| F11 | C11 | C10 | C9 | 179.6° | 179.7° |
| F11 | C11 | C10 | H10 | 0.4° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.5° | 0.0° |
| C11 | C12 | C13 | H13 | 179.5° | 179.9° |
| C12 | C11 | C10 | C9 | 0.3° | 0.5° |
| C12 | C11 | C10 | H10 | 179.7° | 179.7° |
| C10 | C11 | C12 | C13 | 0.3° | 0.2° |
| C10 | C11 | C12 | H12 | 179.7° | 179.8° |
| C11 | C10 | C9 | C14 | 0.5° | 0.5° |
| C11 | C10 | C9 | H10 | 180.0° | 179.8° |
| C11 | C10 | C9 | N5 | 179.2° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | F14 | 179.3° | 180.0° |
| C12 | C13 | C14 | C9 | 0.6° | 0.0° |
| H12 | C12 | C13 | C14 | 179.5° | 180.0° |
| H12 | C12 | C13 | H13 | 0.5° | 0.1° |
| C13 | C14 | F14 | C9 | 180.0° | 180.0° |
| C13 | C14 | C9 | C10 | 0.6° | 0.2° |
| C13 | C14 | C9 | N5 | 179.5° | 180.0° |
| H13 | C13 | C14 | F14 | 0.6° | 0.1° |
| H13 | C13 | C14 | C9 | 179.4° | 179.9° |
| F14 | C14 | C9 | C10 | 179.3° | 179.7° |
| F14 | C14 | C9 | N5 | 0.5° | 0.1° |
| C14 | C9 | C10 | N5 | 178.8° | 179.8° |
| C14 | C9 | C10 | H10 | 179.5° | 179.7° |
| C14 | C9 | N5 | C4 | 141.8° | 145.7° |
| C14 | C9 | N5 | HN5 | 38.2° | 34.4° |
| C10 | C9 | N5 | C4 | 39.5° | 34.1° |
| C10 | C9 | N5 | HN5 | 140.5° | 145.9° |
| H10 | C10 | C9 | N5 | 0.8° | 0.1° |
| C9 | N5 | C4 | HN5 | 180.0° | 180.0° |
| C9 | N5 | C4 | C3 | 142.8° | 176.3° |
| C9 | N5 | C4 | O15 | 34.6° | 3.7° |
| N5 | C4 | C3 | O15 | 177.5° | 180.0° |
| N5 | C4 | C3 | C1 | 46.0° | 114.2° |
| N5 | C4 | C3 | C2 | 110.9° | 177.2° |
| N5 | C4 | C3 | H3 | 98.8° | 31.6° |
| HN5 | N5 | C4 | C3 | 37.2° | 3.7° |
| HN5 | N5 | C4 | O15 | 145.4° | 176.3° |
| C4 | C3 | C1 | C2 | 92.0° | 107.5° |
| C4 | C3 | C1 | H3 | 132.5° | 145.0° |
| C4 | C3 | C2 | H3 | 124.6° | 144.9° |
| C4 | C3 | C1 | C6 | 4.1° | 0.0° |
| C4 | C3 | C1 | H1 | 135.4° | 145.0° |
| C4 | C3 | C2 | H2 | 0.6° | 0.0° |
| C4 | C3 | C2 | H2A | 112.7° | 145.0° |
| O15 | C4 | C3 | C1 | 136.6° | 65.8° |
| O15 | C4 | C3 | C2 | 71.6° | 2.8° |
| O15 | C4 | C3 | H3 | 78.6° | 148.4° |
| C1 | C3 | C2 | H3 | 114.8° | 107.6° |
| C3 | C1 | C6 | C2 | 66.1° | 68.6° |
| C3 | C1 | C6 | H1 | 145.0° | 145.7° |
| C3 | C1 | C2 | H1 | 117.9° | 107.5° |
| C3 | C1 | C2 | H2 | 120.0° | 107.5° |
| C3 | C1 | C2 | H2A | 126.8° | 107.5° |
| C3 | C1 | C6 | O7 | 36.0° | 5.6° |
| C3 | C1 | C6 | O8 | 146.7° | 174.3° |
| C3 | C2 | H2 | H2A | 138.1° | 145.7° |
| H3 | C3 | C1 | C6 | 128.3° | 145.0° |
| H3 | C3 | C1 | H1 | 2.9° | 0.0° |
| H3 | C3 | C2 | H2 | 125.2° | 144.9° |
| H3 | C3 | C2 | H2A | 12.0° | 0.1° |
| C6 | C1 | C2 | H1 | 125.7° | 145.1° |
| C6 | C1 | C2 | H2 | 3.6° | 0.0° |
| C6 | C1 | C2 | H2A | 116.8° | 145.1° |
| C1 | C6 | O7 | O8 | 177.3° | 179.9° |
| C1 | C6 | O8 | HO8 | 177.3° | 180.0° |
| C1 | C2 | H2 | H2A | 138.1° | 145.7° |
| C2 | C1 | C6 | O7 | 102.0° | 74.2° |
| C2 | C1 | C6 | O8 | 80.6° | 105.7° |
| H1 | C1 | C2 | H2 | 122.1° | 145.1° |
| H1 | C1 | C2 | H2A | 8.8° | 0.0° |
| H1 | C1 | C6 | O7 | 109.1° | 140.0° |
| H1 | C1 | C6 | O8 | 68.3° | 40.0° |
| O7 | C6 | O8 | HO8 | 0.0° | 0.1° |
