G9E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | N24 | doub | 1.31Å | 1.32Å | Aromatic |
| C23 | N22 | sing | 1.33Å | 1.32Å | Aromatic |
| N24 | C25 | sing | 1.34Å | 1.34Å | Aromatic |
| N22 | C21 | doub | 1.32Å | 1.33Å | Aromatic |
| C25 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C32 | sing | 1.42Å | 1.44Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C32 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | C18 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| F11 | C8 | sing | 1.40Å | 1.39Å | |
| C32 | C31 | doub | 1.40Å | 1.42Å | Aromatic |
| F10 | C8 | sing | 1.40Å | 1.39Å | |
| O7 | C6 | sing | 1.36Å | 1.36Å | |
| O7 | C8 | sing | 1.43Å | 1.42Å | |
| C27 | O28 | sing | 1.36Å | 1.36Å | |
| C27 | C30 | doub | 1.40Å | 1.40Å | Aromatic |
| O28 | C29 | sing | 1.43Å | 1.43Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C6 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | F9 | sing | 1.40Å | 1.40Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.47Å | 1.46Å | |
| C3 | C13 | doub | 1.41Å | 1.41Å | Aromatic |
| C31 | C30 | sing | 1.36Å | 1.36Å | Aromatic |
| O1 | C2 | doub | 1.22Å | 1.22Å | |
| C2 | N15 | sing | 1.35Å | 1.35Å | |
| N15 | C20 | sing | 1.47Å | 1.48Å | |
| N15 | C16 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | N14 | sing | 1.39Å | 1.40Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| N14 | H9 | sing | 0.97Å | 1.00Å | |
| N14 | H10 | sing | 0.97Å | 1.00Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å | |
| C31 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N24 | C23 | N22 | 122.9° | 122.8° |
| C23 | N24 | C25 | 120.0° | 120.2° |
| N24 | C23 | H16 | 118.6° | 118.6° |
| C23 | N22 | C21 | 122.3° | 121.6° |
| N22 | C23 | H16 | 118.5° | 118.6° |
| N24 | C25 | C26 | 121.2° | 122.0° |
| N24 | C25 | C32 | 119.3° | 118.7° |
| N22 | C21 | C32 | 117.9° | 118.4° |
| N22 | C21 | C18 | 118.9° | 120.7° |
| C26 | C25 | C32 | 119.5° | 119.4° |
| C25 | C26 | C27 | 120.1° | 119.4° |
| C25 | C26 | H7 | 120.0° | 120.3° |
| C25 | C32 | C21 | 117.6° | 118.2° |
| C25 | C32 | C31 | 118.3° | 119.8° |
| C26 | C27 | O28 | 120.1° | 119.5° |
| C26 | C27 | C30 | 120.3° | 120.9° |
| C27 | C26 | H7 | 120.0° | 120.3° |
| C4 | C5 | C6 | 120.5° | 120.4° |
| C5 | C4 | C3 | 120.1° | 120.1° |
| C5 | C4 | H1 | 119.9° | 119.9° |
| C4 | C5 | H2 | 119.7° | 119.8° |
| C5 | C6 | O7 | 119.2° | 119.9° |
| C5 | C6 | C12 | 119.8° | 120.3° |
| C6 | C5 | H2 | 119.7° | 119.8° |
| C32 | C21 | C18 | 123.1° | 120.8° |
| C21 | C32 | C31 | 124.1° | 122.0° |
| C21 | C18 | C19 | 111.1° | 109.5° |
| C21 | C18 | C17 | 105.6° | 109.5° |
| C21 | C18 | H13 | 109.9° | 109.4° |
| C4 | C3 | C2 | 118.9° | 120.2° |
| C4 | C3 | C13 | 120.4° | 119.7° |
| C3 | C4 | H1 | 120.0° | 120.0° |
| F11 | C8 | F10 | 109.1° | 109.5° |
| F11 | C8 | O7 | 109.4° | 109.5° |
| F11 | C8 | F9 | 109.6° | 109.5° |
| C32 | C31 | C30 | 120.9° | 119.7° |
| C32 | C31 | H21 | 119.6° | 120.2° |
| F10 | C8 | O7 | 108.2° | 109.4° |
| F10 | C8 | F9 | 109.5° | 109.5° |
| C6 | O7 | C8 | 118.9° | 117.0° |
| O7 | C6 | C12 | 121.0° | 119.8° |
| O7 | C8 | F9 | 111.1° | 109.5° |
| O28 | C27 | C30 | 119.6° | 119.6° |
| C27 | O28 | C29 | 117.5° | 117.0° |
| C27 | C30 | C31 | 120.9° | 120.9° |
| C27 | C30 | H20 | 119.5° | 119.6° |
| O28 | C29 | H17 | 109.5° | 109.5° |
| O28 | C29 | H18 | 109.4° | 109.5° |
| O28 | C29 | H19 | 109.5° | 109.5° |
| C18 | C19 | C20 | 108.3° | 109.3° |
| C19 | C18 | C17 | 110.6° | 109.5° |
| C19 | C18 | H13 | 109.9° | 109.4° |
| C18 | C19 | H14 | 109.8° | 109.5° |
| C18 | C19 | H15 | 109.8° | 109.5° |
| C19 | C20 | N15 | 106.1° | 108.8° |
| C19 | C20 | H5 | 110.3° | 109.6° |
| C19 | C20 | H6 | 110.3° | 109.7° |
| C20 | C19 | H14 | 109.7° | 109.5° |
| C20 | C19 | H15 | 109.8° | 109.5° |
| C6 | C12 | C13 | 120.6° | 119.9° |
| C6 | C12 | H8 | 119.7° | 120.1° |
| C18 | C17 | C16 | 111.9° | 109.3° |
| C18 | C17 | H3 | 108.9° | 109.5° |
| C18 | C17 | H4 | 108.8° | 109.5° |
| C17 | C18 | H13 | 109.7° | 109.5° |
| C17 | C16 | N15 | 109.3° | 108.7° |
| C16 | C17 | H3 | 108.9° | 109.5° |
| C16 | C17 | H4 | 108.9° | 109.5° |
| C17 | C16 | H11 | 109.5° | 109.6° |
| C17 | C16 | H12 | 109.5° | 109.6° |
| C2 | C3 | C13 | 120.6° | 120.2° |
| C3 | C2 | O1 | 117.1° | 120.0° |
| C3 | C2 | N15 | 120.7° | 120.0° |
| C3 | C13 | C12 | 118.5° | 119.6° |
| C3 | C13 | N14 | 121.6° | 120.2° |
| C31 | C30 | H20 | 119.6° | 119.6° |
| C30 | C31 | H21 | 119.6° | 120.1° |
| O1 | C2 | N15 | 122.2° | 120.0° |
| C2 | N15 | C20 | 123.1° | 120.6° |
| C2 | N15 | C16 | 121.8° | 120.6° |
| C20 | N15 | C16 | 115.1° | 118.7° |
| N15 | C20 | H5 | 110.3° | 109.6° |
| N15 | C20 | H6 | 110.3° | 109.6° |
| N15 | C16 | H11 | 109.5° | 109.6° |
| N15 | C16 | H12 | 109.5° | 109.6° |
| C12 | C13 | N14 | 119.9° | 120.3° |
| C13 | C12 | H8 | 119.7° | 120.0° |
| C13 | N14 | H9 | 109.5° | 120.1° |
| C13 | N14 | H10 | 109.5° | 120.0° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.4° | 109.6° |
| H9 | N14 | H10 | 109.4° | 120.0° |
| H11 | C16 | H12 | 109.5° | 109.7° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H17 | C29 | H18 | 109.5° | 109.5° |
| H17 | C29 | H19 | 109.4° | 109.5° |
| H18 | C29 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N24 | C23 | N22 | H16 | 180.0° | 179.9° |
| N24 | C23 | N22 | C21 | 0.3° | 0.0° |
| C23 | N24 | C25 | C26 | 179.6° | 180.0° |
| C23 | N24 | C25 | C32 | 0.6° | 0.0° |
| N22 | C23 | N24 | C25 | 0.9° | 0.0° |
| C23 | N22 | C21 | C32 | 0.5° | 0.0° |
| C23 | N22 | C21 | C18 | 178.6° | 179.7° |
| N24 | C25 | C26 | C32 | 179.8° | 180.0° |
| N24 | C25 | C26 | C27 | 179.6° | 180.0° |
| N24 | C25 | C32 | C21 | 0.2° | 0.0° |
| N24 | C25 | C32 | C31 | 179.9° | 179.7° |
| N24 | C25 | C26 | H7 | 0.4° | 0.0° |
| C25 | N24 | C23 | H16 | 179.2° | 180.0° |
| N22 | C21 | C32 | C25 | 0.7° | 0.0° |
| N22 | C21 | C32 | C18 | 178.0° | 179.7° |
| N22 | C21 | C32 | C31 | 179.6° | 179.7° |
| N22 | C21 | C18 | C19 | 45.3° | 60.4° |
| N22 | C21 | C18 | C17 | 74.6° | 59.7° |
| N22 | C21 | C18 | H13 | 167.1° | 179.7° |
| C21 | N22 | C23 | H16 | 179.7° | 180.0° |
| C25 | C26 | C27 | H7 | 180.0° | 179.9° |
| C26 | C25 | C32 | C21 | 179.7° | 180.0° |
| C26 | C25 | C32 | C31 | 0.1° | 0.3° |
| C25 | C26 | C27 | O28 | 179.9° | 180.0° |
| C25 | C26 | C27 | C30 | 1.0° | 0.0° |
| C32 | C25 | C26 | C27 | 0.6° | 0.0° |
| C25 | C32 | C21 | C31 | 179.7° | 179.7° |
| C25 | C32 | C21 | C18 | 178.7° | 179.7° |
| C25 | C32 | C31 | C30 | 0.1° | 0.6° |
| C32 | C25 | C26 | H7 | 179.4° | 179.9° |
| C25 | C32 | C31 | H21 | 179.9° | 180.0° |
| C26 | C27 | O28 | C30 | 178.9° | 180.0° |
| C26 | C27 | O28 | C29 | 117.7° | 180.0° |
| C26 | C27 | C30 | C31 | 0.8° | 0.3° |
| C26 | C27 | C30 | H20 | 179.2° | 180.0° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | H1 | 180.0° | 179.6° |
| C4 | C5 | C6 | O7 | 179.2° | 180.0° |
| C4 | C5 | C6 | C12 | 0.4° | 0.1° |
| C5 | C4 | C3 | C2 | 180.0° | 179.7° |
| C5 | C4 | C3 | C13 | 0.0° | 0.4° |
| C6 | C5 | C4 | C3 | 0.2° | 0.1° |
| C5 | C6 | O7 | C12 | 178.8° | 179.9° |
| C5 | C6 | O7 | C8 | 105.2° | 0.0° |
| C5 | C6 | C12 | C13 | 0.5° | 0.4° |
| C6 | C5 | C4 | H1 | 179.8° | 179.7° |
| C5 | C6 | C12 | H8 | 179.5° | 180.0° |
| C32 | C21 | C18 | C19 | 136.7° | 119.9° |
| C32 | C21 | C18 | C17 | 103.3° | 120.0° |
| C21 | C32 | C31 | C30 | 179.8° | 179.7° |
| C32 | C21 | C18 | H13 | 14.9° | 0.0° |
| C21 | C32 | C31 | H21 | 0.2° | 0.2° |
| C18 | C21 | C32 | C31 | 1.6° | 0.0° |
| C21 | C18 | C19 | C17 | 117.0° | 120.1° |
| C21 | C18 | C19 | H13 | 121.8° | 119.9° |
| C21 | C18 | C19 | C20 | 178.1° | 178.6° |
| C21 | C18 | C17 | H13 | 118.4° | 119.9° |
| C21 | C18 | C17 | C16 | 174.1° | 178.6° |
| C21 | C18 | C17 | H3 | 65.6° | 61.4° |
| C21 | C18 | C17 | H4 | 53.7° | 58.6° |
| C21 | C18 | C19 | H14 | 58.3° | 58.6° |
| C21 | C18 | C19 | H15 | 62.1° | 61.4° |
| C4 | C3 | C2 | C13 | 180.0° | 180.0° |
| C4 | C3 | C2 | O1 | 77.0° | 124.9° |
| C4 | C3 | C2 | N15 | 104.3° | 55.1° |
| C4 | C3 | C13 | C12 | 0.0° | 0.6° |
| C4 | C3 | C13 | N14 | 179.2° | 180.0° |
| C3 | C4 | C5 | H2 | 179.8° | 180.0° |
| F11 | C8 | F10 | O7 | 118.9° | 120.0° |
| F11 | C8 | F10 | F9 | 119.9° | 120.0° |
| F11 | C8 | O7 | C6 | 59.0° | 60.0° |
| F11 | C8 | O7 | F9 | 121.1° | 120.0° |
| C32 | C31 | C30 | C27 | 0.3° | 0.6° |
| C32 | C31 | C30 | H21 | 180.0° | 179.4° |
| C32 | C31 | C30 | H20 | 179.7° | 179.7° |
| F10 | C8 | O7 | C6 | 177.8° | 180.0° |
| F10 | C8 | O7 | F9 | 120.2° | 120.0° |
| C6 | O7 | C8 | F9 | 62.1° | 60.0° |
| O7 | C6 | C12 | C13 | 179.3° | 179.7° |
| O7 | C6 | C5 | H2 | 0.8° | 0.0° |
| O7 | C6 | C12 | H8 | 0.7° | 0.1° |
| C8 | O7 | C6 | C12 | 76.0° | 179.9° |
| O28 | C27 | C30 | C31 | 179.8° | 179.7° |
| O28 | C27 | C26 | H7 | 0.1° | 0.1° |
| C27 | O28 | C29 | H17 | 180.0° | 60.0° |
| C27 | O28 | C29 | H18 | 60.0° | 60.0° |
| C27 | O28 | C29 | H19 | 60.0° | 180.0° |
| O28 | C27 | C30 | H20 | 0.2° | 0.0° |
| C30 | C27 | O28 | C29 | 63.3° | 0.0° |
| C27 | C30 | C31 | H20 | 180.0° | 179.7° |
| C30 | C27 | C26 | H7 | 179.0° | 179.9° |
| C27 | C30 | C31 | H21 | 179.7° | 180.0° |
| O28 | C29 | H17 | H18 | 120.0° | 120.0° |
| O28 | C29 | H17 | H19 | 120.0° | 120.0° |
| O28 | C29 | H18 | H19 | 120.0° | 120.0° |
| C18 | C19 | C20 | H14 | 119.8° | 120.0° |
| C18 | C19 | C20 | H15 | 119.8° | 119.9° |
| C19 | C18 | C17 | H13 | 121.4° | 120.0° |
| C19 | C18 | C17 | C16 | 53.8° | 61.4° |
| C18 | C19 | C20 | N15 | 63.5° | 54.6° |
| C19 | C18 | C17 | H3 | 174.2° | 58.6° |
| C19 | C18 | C17 | H4 | 66.6° | 178.6° |
| C18 | C19 | C20 | H5 | 177.0° | 65.2° |
| C18 | C19 | C20 | H6 | 56.0° | 174.5° |
| C18 | C19 | H14 | H15 | 120.6° | 120.0° |
| C20 | C19 | C18 | C17 | 61.2° | 61.3° |
| C19 | C20 | N15 | C2 | 116.4° | 126.5° |
| C19 | C20 | N15 | H5 | 119.5° | 119.8° |
| C19 | C20 | N15 | H6 | 119.5° | 119.9° |
| C19 | C20 | N15 | C16 | 63.3° | 53.6° |
| C19 | C20 | H5 | H6 | 121.6° | 120.4° |
| C20 | C19 | C18 | H13 | 60.1° | 58.7° |
| C20 | C19 | H14 | H15 | 120.5° | 120.1° |
| C6 | C12 | C13 | C3 | 0.3° | 0.7° |
| C6 | C12 | C13 | H8 | 180.0° | 179.6° |
| C6 | C12 | C13 | N14 | 179.5° | 180.0° |
| C12 | C6 | C5 | H2 | 179.6° | 179.9° |
| C18 | C17 | C16 | H3 | 120.3° | 119.9° |
| C18 | C17 | C16 | H4 | 120.3° | 120.0° |
| C18 | C17 | C16 | N15 | 48.8° | 54.6° |
| C18 | C17 | H3 | H4 | 118.9° | 120.1° |
| C18 | C17 | C16 | H11 | 71.1° | 65.1° |
| C18 | C17 | C16 | H12 | 168.8° | 174.4° |
| C17 | C18 | C19 | H14 | 58.6° | 178.7° |
| C17 | C18 | C19 | H15 | 179.0° | 58.6° |
| C17 | C16 | N15 | C2 | 123.8° | 126.5° |
| C17 | C16 | N15 | C20 | 55.8° | 53.6° |
| C17 | C16 | N15 | H11 | 120.0° | 119.8° |
| C17 | C16 | N15 | H12 | 120.0° | 119.8° |
| C16 | C17 | H3 | H4 | 118.9° | 120.1° |
| C17 | C16 | H11 | H12 | 120.1° | 120.4° |
| C16 | C17 | C18 | H13 | 67.5° | 58.6° |
| C3 | C2 | O1 | N15 | 178.6° | 179.9° |
| C3 | C2 | N15 | C20 | 1.3° | 175.7° |
| C3 | C2 | N15 | C16 | 179.0° | 4.3° |
| C2 | C3 | C13 | C12 | 180.0° | 179.4° |
| C2 | C3 | C13 | N14 | 0.8° | 0.0° |
| C2 | C3 | C4 | H1 | 0.0° | 0.1° |
| C13 | C3 | C2 | O1 | 102.9° | 55.0° |
| C13 | C3 | C2 | N15 | 75.7° | 124.9° |
| C3 | C13 | C12 | N14 | 179.2° | 179.4° |
| C13 | C3 | C4 | H1 | 180.0° | 180.0° |
| C3 | C13 | C12 | H8 | 179.7° | 179.7° |
| C3 | C13 | N14 | H9 | 180.0° | 5.0° |
| C3 | C13 | N14 | H10 | 60.0° | 175.0° |
| O1 | C2 | N15 | C20 | 179.9° | 4.2° |
| O1 | C2 | N15 | C16 | 0.5° | 175.7° |
| C2 | N15 | C20 | C16 | 179.7° | 179.9° |
| C2 | N15 | C20 | H5 | 3.1° | 113.7° |
| C2 | N15 | C20 | H6 | 124.1° | 6.5° |
| C2 | N15 | C16 | H11 | 116.2° | 113.8° |
| C2 | N15 | C16 | H12 | 3.9° | 6.7° |
| N15 | C20 | H5 | H6 | 121.5° | 120.3° |
| C20 | N15 | C16 | H11 | 64.1° | 66.2° |
| C20 | N15 | C16 | H12 | 175.8° | 173.4° |
| N15 | C20 | C19 | H14 | 56.3° | 174.6° |
| N15 | C20 | C19 | H15 | 176.7° | 65.3° |
| N15 | C16 | C17 | H3 | 169.2° | 65.3° |
| N15 | C16 | C17 | H4 | 71.5° | 174.6° |
| C16 | N15 | C20 | H5 | 177.3° | 66.2° |
| C16 | N15 | C20 | H6 | 56.2° | 173.5° |
| N15 | C16 | H11 | H12 | 120.1° | 120.3° |
| C12 | C13 | N14 | H9 | 0.8° | 174.4° |
| C12 | C13 | N14 | H10 | 119.2° | 5.7° |
| N14 | C13 | C12 | H8 | 0.5° | 0.4° |
| C13 | N14 | H9 | H10 | 120.0° | 180.0° |
| H1 | C4 | C5 | H2 | 0.2° | 0.3° |
| H3 | C17 | C16 | H11 | 49.2° | 174.9° |
| H3 | C17 | C16 | H12 | 70.9° | 54.5° |
| H3 | C17 | C18 | H13 | 52.8° | 178.6° |
| H4 | C17 | C16 | H11 | 168.5° | 54.9° |
| H4 | C17 | C16 | H12 | 48.4° | 65.6° |
| H4 | C17 | C18 | H13 | 172.1° | 61.3° |
| H5 | C20 | C19 | H14 | 63.2° | 54.8° |
| H5 | C20 | C19 | H15 | 57.2° | 174.9° |
| H6 | C20 | C19 | H14 | 175.8° | 65.5° |
| H6 | C20 | C19 | H15 | 63.8° | 54.6° |
| H13 | C18 | C19 | H14 | 179.9° | 61.3° |
| H13 | C18 | C19 | H15 | 59.8° | 178.7° |
| H17 | C29 | H18 | H19 | 120.0° | 120.0° |
| H20 | C30 | C31 | H21 | 0.3° | 0.3° |
