G9C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F18 | C17 | sing | 1.40Å | 1.40Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C14 | sing | 1.51Å | 1.50Å | |
| C17 | F19 | sing | 1.40Å | 1.39Å | |
| C17 | F20 | sing | 1.40Å | 1.39Å | |
| C16 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C3 | sing | 1.48Å | 1.48Å | |
| C11 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| N7 | C8 | doub | 1.31Å | 1.31Å | Aromatic |
| N7 | C4 | sing | 1.34Å | 1.34Å | Aromatic |
| C3 | C4 | doub | 1.42Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C21 | sing | 1.48Å | 1.48Å | |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.36Å | 1.36Å | Aromatic |
| O31 | C21 | doub | 1.21Å | 1.23Å | |
| C21 | N22 | sing | 1.35Å | 1.36Å | |
| N22 | C23 | sing | 1.46Å | 1.46Å | |
| C30 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | N25 | doub | 1.32Å | 1.32Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| N25 | C26 | sing | 1.32Å | 1.32Å | Aromatic |
| C29 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C27 | H10 | sing | 1.08Å | 1.08Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| C29 | H12 | sing | 1.08Å | 1.08Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| N22 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F18 | C17 | C14 | 109.8° | 109.5° |
| F18 | C17 | F19 | 111.3° | 109.5° |
| F18 | C17 | F20 | 109.2° | 109.4° |
| C16 | C15 | C14 | 120.5° | 120.1° |
| C15 | C16 | C11 | 119.2° | 119.9° |
| C16 | C15 | H6 | 119.8° | 119.9° |
| C15 | C16 | H7 | 120.4° | 120.1° |
| C15 | C14 | C17 | 121.0° | 119.9° |
| C15 | C14 | C13 | 120.4° | 120.3° |
| C14 | C15 | H6 | 119.8° | 120.0° |
| C14 | C17 | F19 | 108.8° | 109.4° |
| C14 | C17 | F20 | 110.3° | 109.5° |
| C17 | C14 | C13 | 118.6° | 119.9° |
| F19 | C17 | F20 | 107.5° | 109.5° |
| C16 | C11 | C3 | 125.3° | 120.1° |
| C16 | C11 | C12 | 119.5° | 119.7° |
| C11 | C16 | H7 | 120.4° | 120.1° |
| C14 | C13 | C12 | 119.3° | 120.2° |
| C14 | C13 | H5 | 120.4° | 119.9° |
| C3 | C11 | C12 | 115.2° | 120.1° |
| C11 | C3 | C4 | 121.1° | 120.2° |
| C11 | C3 | C2 | 119.6° | 120.3° |
| C11 | C12 | C13 | 121.2° | 119.8° |
| C11 | C12 | H17 | 119.4° | 120.1° |
| C12 | C13 | H5 | 120.4° | 119.9° |
| C13 | C12 | H17 | 119.4° | 120.1° |
| C8 | N7 | C4 | 121.9° | 121.8° |
| N7 | C8 | C9 | 121.7° | 121.5° |
| N7 | C8 | H4 | 119.1° | 119.3° |
| N7 | C4 | C3 | 121.0° | 120.8° |
| N7 | C4 | C5 | 120.2° | 120.3° |
| C4 | C3 | C2 | 119.2° | 119.5° |
| C3 | C4 | C5 | 118.8° | 118.9° |
| C3 | C2 | C1 | 121.3° | 120.8° |
| C3 | C2 | H2 | 119.4° | 119.6° |
| C8 | C9 | C21 | 120.0° | 120.3° |
| C8 | C9 | C10 | 119.0° | 119.5° |
| C9 | C8 | H4 | 119.2° | 119.3° |
| C4 | C5 | C10 | 119.0° | 119.1° |
| C4 | C5 | C6 | 120.3° | 119.8° |
| C2 | C1 | C6 | 120.7° | 121.0° |
| C2 | C1 | H1 | 119.6° | 119.5° |
| C1 | C2 | H2 | 119.3° | 119.6° |
| C21 | C9 | C10 | 121.0° | 120.2° |
| C9 | C21 | O31 | 119.8° | 120.0° |
| C9 | C21 | N22 | 119.7° | 119.9° |
| C9 | C10 | C5 | 118.3° | 118.0° |
| C9 | C10 | H16 | 120.9° | 121.0° |
| C10 | C5 | C6 | 120.7° | 121.1° |
| C5 | C10 | H16 | 120.9° | 121.0° |
| C5 | C6 | C1 | 119.6° | 120.0° |
| C5 | C6 | H3 | 120.2° | 120.0° |
| C6 | C1 | H1 | 119.7° | 119.5° |
| C1 | C6 | H3 | 120.2° | 119.9° |
| O31 | C21 | N22 | 120.5° | 120.0° |
| C21 | N22 | C23 | 120.9° | 120.0° |
| C21 | N22 | H18 | 119.6° | 120.0° |
| N22 | C23 | C30 | 108.0° | 109.5° |
| N22 | C23 | C24 | 111.6° | 109.5° |
| N22 | C23 | H8 | 109.5° | 109.5° |
| C23 | N22 | H18 | 119.6° | 120.0° |
| C30 | C23 | C24 | 110.2° | 109.5° |
| C30 | C23 | H8 | 108.6° | 109.5° |
| C23 | C30 | H13 | 109.5° | 109.5° |
| C23 | C30 | H14 | 109.5° | 109.5° |
| C23 | C30 | H15 | 109.4° | 109.5° |
| C23 | C24 | N25 | 118.0° | 119.6° |
| C23 | C24 | C29 | 121.4° | 119.6° |
| C24 | C23 | H8 | 108.9° | 109.4° |
| N25 | C24 | C29 | 120.6° | 120.8° |
| C24 | N25 | C26 | 121.7° | 121.7° |
| C24 | C29 | C28 | 119.0° | 119.1° |
| C24 | C29 | H12 | 120.5° | 120.5° |
| N25 | C26 | C27 | 121.1° | 120.7° |
| N25 | C26 | H9 | 119.4° | 119.6° |
| C29 | C28 | C27 | 118.9° | 118.4° |
| C29 | C28 | H11 | 120.6° | 120.8° |
| C28 | C29 | H12 | 120.5° | 120.4° |
| C26 | C27 | C28 | 118.7° | 119.2° |
| C27 | C26 | H9 | 119.5° | 119.7° |
| C26 | C27 | H10 | 120.6° | 120.4° |
| C28 | C27 | H10 | 120.6° | 120.3° |
| C27 | C28 | H11 | 120.6° | 120.8° |
| H13 | C30 | H14 | 109.5° | 109.5° |
| H13 | C30 | H15 | 109.5° | 109.4° |
| H14 | C30 | H15 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F18 | C17 | C14 | C15 | 30.7° | 30.0° |
| F18 | C17 | C14 | F19 | 121.9° | 120.0° |
| F18 | C17 | C14 | F20 | 120.4° | 120.0° |
| F18 | C17 | F19 | F20 | 119.5° | 120.0° |
| F18 | C17 | C14 | C13 | 149.7° | 150.0° |
| C16 | C15 | C14 | H6 | 180.0° | 179.8° |
| C16 | C15 | C14 | C17 | 179.7° | 180.0° |
| C15 | C16 | C11 | H7 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C16 | C11 | C3 | 179.6° | 180.0° |
| C15 | C16 | C11 | C12 | 1.6° | 0.5° |
| C15 | C14 | C17 | C13 | 179.6° | 179.9° |
| C15 | C14 | C17 | F19 | 91.2° | 90.0° |
| C15 | C14 | C17 | F20 | 151.1° | 150.0° |
| C14 | C15 | C16 | C11 | 0.8° | 0.3° |
| C15 | C14 | C13 | C12 | 0.3° | 0.0° |
| C15 | C14 | C13 | H5 | 179.6° | 179.8° |
| C14 | C15 | C16 | H7 | 179.2° | 180.0° |
| C14 | C17 | F19 | F20 | 119.4° | 120.0° |
| C17 | C14 | C13 | C12 | 179.9° | 180.0° |
| C17 | C14 | C13 | H5 | 0.1° | 0.3° |
| C17 | C14 | C15 | H6 | 0.3° | 0.2° |
| F19 | C17 | C14 | C13 | 88.4° | 90.0° |
| F20 | C17 | C14 | C13 | 29.3° | 30.0° |
| C16 | C11 | C3 | C12 | 178.1° | 179.5° |
| C16 | C11 | C12 | C13 | 1.4° | 0.5° |
| C16 | C11 | C3 | C4 | 58.5° | 130.1° |
| C16 | C11 | C3 | C2 | 124.5° | 50.0° |
| C11 | C16 | C15 | H6 | 179.2° | 179.9° |
| C16 | C11 | C12 | H17 | 178.6° | 179.5° |
| C14 | C13 | C12 | C11 | 0.4° | 0.3° |
| C14 | C13 | C12 | H5 | 180.0° | 179.8° |
| C13 | C14 | C15 | H6 | 179.9° | 179.8° |
| C14 | C13 | C12 | H17 | 179.6° | 179.7° |
| C3 | C11 | C12 | C13 | 179.6° | 180.0° |
| C11 | C3 | C4 | N7 | 2.5° | 0.1° |
| C11 | C3 | C4 | C2 | 177.0° | 180.0° |
| C11 | C3 | C4 | C5 | 177.8° | 180.0° |
| C11 | C3 | C2 | C1 | 178.1° | 180.0° |
| C11 | C3 | C2 | H2 | 1.9° | 0.0° |
| C3 | C11 | C16 | H7 | 0.4° | 0.3° |
| C3 | C11 | C12 | H17 | 0.4° | 0.0° |
| C11 | C12 | C13 | H17 | 180.0° | 180.0° |
| C12 | C11 | C3 | C4 | 119.6° | 50.5° |
| C12 | C11 | C3 | C2 | 57.4° | 129.5° |
| C11 | C12 | C13 | H5 | 179.6° | 180.0° |
| C12 | C11 | C16 | H7 | 178.4° | 179.7° |
| C8 | N7 | C4 | C3 | 179.4° | 180.0° |
| N7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C8 | N7 | C4 | C5 | 0.3° | 0.1° |
| N7 | C8 | C9 | C21 | 179.5° | 179.9° |
| N7 | C8 | C9 | C10 | 0.8° | 0.0° |
| N7 | C4 | C3 | C5 | 179.6° | 179.9° |
| N7 | C4 | C3 | C2 | 179.6° | 180.0° |
| C4 | N7 | C8 | C9 | 0.8° | 0.0° |
| N7 | C4 | C5 | C10 | 0.3° | 0.0° |
| N7 | C4 | C5 | C6 | 179.9° | 179.9° |
| C4 | N7 | C8 | H4 | 179.2° | 180.0° |
| C4 | C3 | C2 | C1 | 1.0° | 0.1° |
| C3 | C4 | C5 | C10 | 179.9° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C4 | C3 | C2 | H2 | 179.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.1° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.7° | 0.0° |
| C3 | C2 | C1 | H1 | 179.3° | 179.8° |
| C8 | C9 | C21 | C10 | 179.7° | 180.0° |
| C8 | C9 | C10 | C5 | 0.3° | 0.1° |
| C8 | C9 | C21 | O31 | 14.9° | 180.0° |
| C8 | C9 | C21 | N22 | 165.4° | 0.0° |
| C8 | C9 | C10 | H16 | 179.7° | 180.0° |
| C4 | C5 | C10 | C9 | 0.2° | 0.0° |
| C4 | C5 | C10 | C6 | 179.8° | 180.0° |
| C4 | C5 | C6 | C1 | 0.0° | 0.0° |
| C4 | C5 | C6 | H3 | 180.0° | 179.7° |
| C4 | C5 | C10 | H16 | 179.8° | 179.9° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | H3 | 179.8° | 179.7° |
| C21 | C9 | C10 | C5 | 180.0° | 179.9° |
| C9 | C21 | O31 | N22 | 179.7° | 180.0° |
| C9 | C21 | N22 | C23 | 179.7° | 180.0° |
| C21 | C9 | C8 | H4 | 0.5° | 0.1° |
| C21 | C9 | C10 | H16 | 0.0° | 0.0° |
| C9 | C21 | N22 | H18 | 0.3° | 0.1° |
| C9 | C10 | C5 | H16 | 180.0° | 179.9° |
| C9 | C10 | C5 | C6 | 179.9° | 180.0° |
| C10 | C9 | C21 | O31 | 165.3° | 0.0° |
| C10 | C9 | C21 | N22 | 14.4° | 180.0° |
| C10 | C9 | C8 | H4 | 179.2° | 179.9° |
| C10 | C5 | C6 | C1 | 179.8° | 180.0° |
| C10 | C5 | C6 | H3 | 0.2° | 0.3° |
| C5 | C6 | C1 | H3 | 180.0° | 179.7° |
| C5 | C6 | C1 | H1 | 179.9° | 179.8° |
| C6 | C5 | C10 | H16 | 0.1° | 0.1° |
| C6 | C1 | C2 | H2 | 179.3° | 180.0° |
| O31 | C21 | N22 | C23 | 0.7° | 0.0° |
| O31 | C21 | N22 | H18 | 179.4° | 179.9° |
| C21 | N22 | C23 | H18 | 180.0° | 179.9° |
| C21 | N22 | C23 | C30 | 160.2° | 85.0° |
| C21 | N22 | C23 | C24 | 78.5° | 155.0° |
| C21 | N22 | C23 | H8 | 42.1° | 35.1° |
| N22 | C23 | C30 | C24 | 122.2° | 120.0° |
| N22 | C23 | C30 | H8 | 118.7° | 120.0° |
| N22 | C23 | C24 | H8 | 121.0° | 119.9° |
| N22 | C23 | C24 | N25 | 156.8° | 25.0° |
| N22 | C23 | C24 | C29 | 23.1° | 155.2° |
| N22 | C23 | C30 | H13 | 180.0° | 60.0° |
| N22 | C23 | C30 | H14 | 60.0° | 180.0° |
| N22 | C23 | C30 | H15 | 60.0° | 60.0° |
| C30 | C23 | C24 | H8 | 119.0° | 120.0° |
| C30 | C23 | C24 | N25 | 83.2° | 95.0° |
| C30 | C23 | C24 | C29 | 96.9° | 84.7° |
| C23 | C30 | H13 | H14 | 120.0° | 120.0° |
| C23 | C30 | H13 | H15 | 120.0° | 120.0° |
| C23 | C30 | H14 | H15 | 120.0° | 120.0° |
| C30 | C23 | N22 | H18 | 19.7° | 94.9° |
| C23 | C24 | N25 | C29 | 179.9° | 179.7° |
| C23 | C24 | N25 | C26 | 179.6° | 179.9° |
| C23 | C24 | C29 | C28 | 180.0° | 180.0° |
| C23 | C24 | C29 | H12 | 0.0° | 0.1° |
| C24 | C23 | C30 | H13 | 57.8° | 60.0° |
| C24 | C23 | C30 | H14 | 177.9° | 60.0° |
| C24 | C23 | C30 | H15 | 62.2° | 180.0° |
| C24 | C23 | N22 | H18 | 101.5° | 25.1° |
| N25 | C24 | C29 | C28 | 0.2° | 0.2° |
| C24 | N25 | C26 | C27 | 0.4° | 0.1° |
| N25 | C24 | C23 | H8 | 35.8° | 145.0° |
| C24 | N25 | C26 | H9 | 179.6° | 179.8° |
| N25 | C24 | C29 | H12 | 179.8° | 179.8° |
| C29 | C24 | N25 | C26 | 0.5° | 0.2° |
| C24 | C29 | C28 | H12 | 180.0° | 180.0° |
| C24 | C29 | C28 | C27 | 0.2° | 0.1° |
| C29 | C24 | C23 | H8 | 144.1° | 35.3° |
| C24 | C29 | C28 | H11 | 179.7° | 179.8° |
| N25 | C26 | C27 | H9 | 180.0° | 179.7° |
| N25 | C26 | C27 | C28 | 0.1° | 0.2° |
| N25 | C26 | C27 | H10 | 179.9° | 179.7° |
| C29 | C28 | C27 | C26 | 0.4° | 0.2° |
| C29 | C28 | C27 | H11 | 180.0° | 179.9° |
| C29 | C28 | C27 | H10 | 179.6° | 179.8° |
| C26 | C27 | C28 | H10 | 180.0° | 180.0° |
| C26 | C27 | C28 | H11 | 179.6° | 179.9° |
| C28 | C27 | C26 | H9 | 179.9° | 180.0° |
| C27 | C28 | C29 | H12 | 179.8° | 180.0° |
| H1 | C1 | C2 | H2 | 0.7° | 0.2° |
| H1 | C1 | C6 | H3 | 0.2° | 0.0° |
| H5 | C13 | C12 | H17 | 0.4° | 0.0° |
| H6 | C15 | C16 | H7 | 0.8° | 0.2° |
| H8 | C23 | C30 | H13 | 61.4° | 180.0° |
| H8 | C23 | C30 | H14 | 58.7° | 60.0° |
| H8 | C23 | C30 | H15 | 178.6° | 60.0° |
| H8 | C23 | N22 | H18 | 137.8° | 145.0° |
| H9 | C26 | C27 | H10 | 0.1° | 0.0° |
| H10 | C27 | C28 | H11 | 0.4° | 0.1° |
| H11 | C28 | C29 | H12 | 0.3° | 0.1° |
| H13 | C30 | H14 | H15 | 120.0° | 120.0° |
