6G9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C18 | sing | 1.89Å | 1.88Å | |
| C18 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| C18 | C20 | doub | 1.36Å | 1.36Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| BR2 | C20 | sing | 1.89Å | 1.88Å | |
| C20 | N22 | sing | 1.36Å | 1.34Å | Aromatic |
| C16 | N22 | sing | 1.38Å | 1.36Å | Aromatic |
| C16 | C14 | sing | 1.46Å | 1.44Å | |
| N13 | C14 | sing | 1.35Å | 1.35Å | |
| N13 | C12 | sing | 1.38Å | 1.36Å | |
| C14 | O15 | doub | 1.22Å | 1.22Å | |
| N11 | C12 | doub | 1.29Å | 1.28Å | Aromatic |
| N11 | C10 | sing | 1.35Å | 1.34Å | Aromatic |
| C12 | S23 | sing | 1.76Å | 1.75Å | Aromatic |
| C9 | C10 | doub | 1.41Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| C10 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| S23 | C24 | sing | 1.76Å | 1.73Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.42Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | N6 | sing | 1.40Å | 1.41Å | |
| N6 | C4 | sing | 1.35Å | 1.38Å | |
| C4 | O5 | doub | 1.21Å | 1.22Å | |
| C4 | C2 | sing | 1.49Å | 1.49Å | |
| C2 | O1 | doub | 1.21Å | 1.21Å | |
| C2 | O3 | sing | 1.35Å | 1.34Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| N13 | H2 | sing | 0.97Å | 1.00Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| N22 | H4 | sing | 0.97Å | 1.00Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å | |
| N6 | H6 | sing | 0.97Å | 1.00Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C25 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C18 | C17 | 122.0° | 126.0° |
| BR1 | C18 | C20 | 129.9° | 126.1° |
| C17 | C18 | C20 | 108.1° | 107.9° |
| C18 | C17 | C16 | 106.2° | 107.1° |
| C18 | C17 | H3 | 126.9° | 126.5° |
| C18 | C20 | BR2 | 128.5° | 125.6° |
| C18 | C20 | N22 | 108.9° | 108.9° |
| C17 | C16 | N22 | 109.1° | 107.5° |
| C17 | C16 | C14 | 126.8° | 126.2° |
| C16 | C17 | H3 | 126.9° | 126.4° |
| BR2 | C20 | N22 | 122.7° | 125.6° |
| C20 | N22 | C16 | 107.8° | 108.6° |
| C20 | N22 | H4 | 126.1° | 125.7° |
| N22 | C16 | C14 | 124.1° | 126.2° |
| C16 | N22 | H4 | 126.1° | 125.7° |
| C16 | C14 | N13 | 117.2° | 120.0° |
| C16 | C14 | O15 | 117.2° | 120.0° |
| C14 | N13 | C12 | 122.1° | 120.0° |
| N13 | C14 | O15 | 125.6° | 120.0° |
| C14 | N13 | H2 | 118.9° | 120.0° |
| N13 | C12 | N11 | 124.7° | 124.8° |
| N13 | C12 | S23 | 122.3° | 124.8° |
| C12 | N13 | H2 | 118.9° | 119.9° |
| C12 | N11 | C10 | 115.8° | 117.9° |
| N11 | C12 | S23 | 113.0° | 110.4° |
| N11 | C10 | C9 | 130.1° | 128.7° |
| N11 | C10 | C24 | 112.1° | 112.9° |
| C12 | S23 | C24 | 88.4° | 90.5° |
| C10 | C9 | C8 | 119.9° | 120.7° |
| C9 | C10 | C24 | 117.8° | 118.4° |
| C10 | C9 | H7 | 120.1° | 119.7° |
| C9 | C8 | C7 | 121.7° | 120.6° |
| C9 | C8 | H1 | 119.1° | 119.7° |
| C8 | C9 | H7 | 120.1° | 119.6° |
| C10 | C24 | S23 | 110.6° | 108.4° |
| C10 | C24 | C25 | 122.4° | 120.4° |
| S23 | C24 | C25 | 126.9° | 131.2° |
| C8 | C7 | C25 | 118.3° | 119.9° |
| C8 | C7 | N6 | 120.2° | 120.1° |
| C7 | C8 | H1 | 119.2° | 119.7° |
| C24 | C25 | C7 | 119.9° | 120.0° |
| C24 | C25 | H8 | 120.0° | 120.0° |
| C25 | C7 | N6 | 121.5° | 120.1° |
| C7 | C25 | H8 | 120.1° | 120.0° |
| C7 | N6 | C4 | 130.1° | 120.1° |
| C7 | N6 | H6 | 115.0° | 120.0° |
| N6 | C4 | O5 | 121.3° | 120.0° |
| N6 | C4 | C2 | 126.1° | 120.0° |
| C4 | N6 | H6 | 114.9° | 120.0° |
| O5 | C4 | C2 | 112.6° | 120.0° |
| C4 | C2 | O1 | 119.1° | 120.0° |
| C4 | C2 | O3 | 120.6° | 119.9° |
| O1 | C2 | O3 | 120.2° | 120.0° |
| C2 | O3 | H5 | 109.5° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C18 | C17 | C20 | 179.9° | 179.9° |
| BR1 | C18 | C17 | C16 | 179.4° | 180.0° |
| BR1 | C18 | C20 | BR2 | 0.0° | 0.1° |
| BR1 | C18 | C20 | N22 | 179.9° | 180.0° |
| BR1 | C18 | C17 | H3 | 0.6° | 0.0° |
| C18 | C17 | C16 | H3 | 180.0° | 180.0° |
| C17 | C18 | C20 | BR2 | 179.9° | 179.9° |
| C17 | C18 | C20 | N22 | 0.1° | 0.1° |
| C18 | C17 | C16 | N22 | 1.0° | 0.0° |
| C18 | C17 | C16 | C14 | 178.7° | 179.7° |
| C20 | C18 | C17 | C16 | 0.7° | 0.1° |
| C18 | C20 | BR2 | N22 | 179.9° | 179.9° |
| C18 | C20 | N22 | C16 | 0.5° | 0.0° |
| C20 | C18 | C17 | H3 | 179.3° | 179.9° |
| C18 | C20 | N22 | H4 | 179.5° | 179.6° |
| C17 | C16 | N22 | C20 | 0.9° | 0.0° |
| C17 | C16 | N22 | C14 | 177.8° | 179.8° |
| C17 | C16 | C14 | N13 | 21.3° | 179.7° |
| C17 | C16 | C14 | O15 | 160.2° | 0.3° |
| C17 | C16 | N22 | H4 | 179.1° | 179.7° |
| BR2 | C20 | N22 | C16 | 179.5° | 179.9° |
| BR2 | C20 | N22 | H4 | 0.6° | 0.3° |
| C20 | N22 | C16 | H4 | 180.0° | 179.7° |
| C20 | N22 | C16 | C14 | 178.7° | 179.8° |
| N22 | C16 | C14 | N13 | 156.1° | 0.0° |
| N22 | C16 | C14 | O15 | 22.5° | 180.0° |
| N22 | C16 | C17 | H3 | 179.0° | 180.0° |
| C16 | C14 | N13 | O15 | 178.4° | 180.0° |
| C16 | C14 | N13 | C12 | 178.0° | 180.0° |
| C16 | C14 | N13 | H2 | 2.0° | 0.0° |
| C14 | C16 | C17 | H3 | 1.3° | 0.3° |
| C14 | C16 | N22 | H4 | 1.3° | 0.1° |
| C14 | N13 | C12 | H2 | 180.0° | 180.0° |
| C14 | N13 | C12 | N11 | 165.7° | 0.0° |
| C14 | N13 | C12 | S23 | 16.9° | 180.0° |
| C12 | N13 | C14 | O15 | 0.3° | 0.0° |
| N13 | C12 | N11 | S23 | 177.7° | 180.0° |
| N13 | C12 | N11 | C10 | 178.8° | 180.0° |
| N13 | C12 | S23 | C24 | 178.7° | 180.0° |
| O15 | C14 | N13 | H2 | 179.6° | 180.0° |
| C12 | N11 | C10 | C9 | 179.2° | 180.0° |
| C12 | N11 | C10 | C24 | 0.6° | 0.0° |
| N11 | C12 | S23 | C24 | 1.0° | 0.0° |
| N11 | C12 | N13 | H2 | 14.3° | 180.0° |
| C10 | N11 | C12 | S23 | 1.1° | 0.0° |
| N11 | C10 | C9 | C24 | 179.7° | 180.0° |
| N11 | C10 | C9 | C8 | 179.7° | 180.0° |
| N11 | C10 | C24 | S23 | 0.2° | 0.0° |
| N11 | C10 | C24 | C25 | 179.9° | 180.0° |
| N11 | C10 | C9 | H7 | 0.3° | 0.1° |
| C12 | S23 | C24 | C10 | 0.6° | 0.0° |
| C12 | S23 | C24 | C25 | 179.5° | 180.0° |
| S23 | C12 | N13 | H2 | 163.2° | 0.0° |
| C10 | C9 | C8 | H7 | 180.0° | 179.9° |
| C9 | C10 | C24 | S23 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.5° | 0.0° |
| C9 | C10 | C24 | C25 | 0.1° | 0.0° |
| C10 | C9 | C8 | H1 | 179.5° | 180.0° |
| C8 | C9 | C10 | C24 | 0.6° | 0.1° |
| C9 | C8 | C7 | H1 | 180.0° | 180.0° |
| C9 | C8 | C7 | C25 | 0.1° | 0.0° |
| C9 | C8 | C7 | N6 | 179.3° | 179.8° |
| C10 | C24 | S23 | C25 | 179.9° | 180.0° |
| C10 | C24 | C25 | C7 | 0.4° | 0.0° |
| C24 | C10 | C9 | H7 | 179.4° | 180.0° |
| C10 | C24 | C25 | H8 | 179.5° | 179.7° |
| S23 | C24 | C25 | C7 | 179.4° | 180.0° |
| S23 | C24 | C25 | H8 | 0.6° | 0.3° |
| C8 | C7 | C25 | C24 | 0.6° | 0.0° |
| C8 | C7 | C25 | N6 | 179.2° | 179.8° |
| C8 | C7 | N6 | C4 | 164.3° | 145.2° |
| C8 | C7 | N6 | H6 | 15.7° | 34.9° |
| C7 | C8 | C9 | H7 | 179.5° | 180.0° |
| C8 | C7 | C25 | H8 | 179.4° | 179.7° |
| C24 | C25 | C7 | H8 | 180.0° | 179.7° |
| C24 | C25 | C7 | N6 | 179.7° | 179.8° |
| C25 | C7 | N6 | C4 | 16.6° | 35.0° |
| C25 | C7 | C8 | H1 | 179.9° | 180.0° |
| C25 | C7 | N6 | H6 | 163.5° | 144.9° |
| C7 | N6 | C4 | H6 | 180.0° | 179.9° |
| C7 | N6 | C4 | O5 | 2.8° | 4.6° |
| C7 | N6 | C4 | C2 | 177.8° | 175.4° |
| N6 | C7 | C8 | H1 | 0.7° | 0.2° |
| N6 | C7 | C25 | H8 | 0.2° | 0.1° |
| N6 | C4 | O5 | C2 | 179.5° | 180.0° |
| N6 | C4 | C2 | O1 | 100.3° | 0.0° |
| N6 | C4 | C2 | O3 | 82.0° | 179.7° |
| O5 | C4 | C2 | O1 | 80.2° | 180.0° |
| O5 | C4 | C2 | O3 | 97.5° | 0.3° |
| O5 | C4 | N6 | H6 | 177.3° | 175.4° |
| C4 | C2 | O1 | O3 | 177.7° | 179.7° |
| C4 | C2 | O3 | H5 | 177.7° | 179.7° |
| C2 | C4 | N6 | H6 | 2.1° | 4.7° |
| O1 | C2 | O3 | H5 | 0.0° | 0.0° |
| H1 | C8 | C9 | H7 | 0.5° | 0.0° |
