7G9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F31 | C1 | sing | 1.35Å | 1.35Å | |
| N19 | C20 | sing | 1.40Å | 1.39Å | |
| N19 | C6 | sing | 1.39Å | 1.39Å | |
| C21 | C20 | doub | 1.39Å | 1.44Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.42Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.40Å | 1.47Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.36Å | Aromatic |
| N26 | C22 | sing | 1.40Å | 1.40Å | |
| N26 | C27 | sing | 1.35Å | 1.40Å | |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | N5 | sing | 1.33Å | 1.34Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.36Å | |
| C23 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | O30 | doub | 1.21Å | 1.25Å | |
| N5 | C4 | doub | 1.32Å | 1.35Å | Aromatic |
| N3 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | N7 | sing | 1.39Å | 1.37Å | |
| N7 | C8 | sing | 1.40Å | 1.38Å | |
| C13 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C16 | O17 | sing | 1.43Å | 1.43Å | |
| C11 | C10 | sing | 1.39Å | 1.36Å | Aromatic |
| C11 | O14 | sing | 1.36Å | 1.37Å | |
| C15 | O14 | sing | 1.43Å | 1.41Å | |
| O17 | C18 | sing | 1.43Å | 1.44Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| N26 | H12 | sing | 0.97Å | 1.00Å | |
| N7 | H13 | sing | 0.97Å | 1.00Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| N19 | H17 | sing | 0.97Å | 1.00Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F31 | C1 | C6 | 121.7° | 120.8° |
| F31 | C1 | C2 | 117.3° | 120.8° |
| C20 | N19 | C6 | 120.9° | 120.0° |
| N19 | C20 | C21 | 120.3° | 120.1° |
| N19 | C20 | C25 | 122.0° | 120.0° |
| C20 | N19 | H17 | 119.6° | 120.0° |
| N19 | C6 | C1 | 117.3° | 120.5° |
| N19 | C6 | N5 | 125.4° | 120.5° |
| C6 | N19 | H17 | 119.5° | 120.0° |
| C20 | C21 | C22 | 123.8° | 119.9° |
| C21 | C20 | C25 | 116.4° | 119.9° |
| C20 | C21 | H10 | 118.1° | 120.0° |
| C21 | C22 | N26 | 121.1° | 120.1° |
| C21 | C22 | C23 | 116.7° | 119.9° |
| C22 | C21 | H10 | 118.1° | 120.1° |
| C20 | C25 | C24 | 121.4° | 120.0° |
| C20 | C25 | H19 | 119.3° | 120.0° |
| C6 | C1 | C2 | 121.0° | 118.4° |
| C1 | C6 | N5 | 117.3° | 119.0° |
| C1 | C2 | N3 | 118.3° | 119.2° |
| C1 | C2 | H1 | 120.8° | 120.4° |
| C22 | N26 | C27 | 129.8° | 120.0° |
| N26 | C22 | C23 | 122.1° | 120.0° |
| C22 | N26 | H12 | 115.1° | 119.9° |
| N26 | C27 | C28 | 118.5° | 120.0° |
| N26 | C27 | O30 | 126.0° | 120.0° |
| C27 | N26 | H12 | 115.1° | 120.1° |
| C22 | C23 | C24 | 120.6° | 120.1° |
| C22 | C23 | H18 | 119.7° | 119.9° |
| C6 | N5 | C4 | 118.1° | 120.6° |
| C25 | C24 | C23 | 121.2° | 120.1° |
| C25 | C24 | H11 | 119.4° | 119.9° |
| C24 | C25 | H19 | 119.3° | 120.0° |
| C2 | N3 | C4 | 119.4° | 120.9° |
| N3 | C2 | H1 | 120.8° | 120.4° |
| C27 | C28 | C29 | 124.5° | 109.5° |
| C28 | C27 | O30 | 115.5° | 120.0° |
| C27 | C28 | H20 | 105.6° | 109.5° |
| C27 | C28 | H23 | 105.6° | 109.5° |
| C29 | C28 | H20 | 105.6° | 109.4° |
| C28 | C29 | H21 | 109.5° | 109.4° |
| C28 | C29 | H22 | 109.5° | 109.5° |
| C29 | C28 | H23 | 105.6° | 109.5° |
| C28 | C29 | H24 | 109.5° | 109.5° |
| C23 | C24 | H11 | 119.4° | 119.9° |
| C24 | C23 | H18 | 119.7° | 120.0° |
| N5 | C4 | N3 | 125.7° | 121.7° |
| N5 | C4 | N7 | 115.7° | 119.1° |
| N3 | C4 | N7 | 118.4° | 119.1° |
| C4 | N7 | C8 | 129.1° | 120.0° |
| C4 | N7 | H13 | 115.5° | 120.0° |
| N7 | C8 | C13 | 129.1° | 120.0° |
| N7 | C8 | C9 | 113.0° | 120.0° |
| C8 | N7 | H13 | 115.5° | 120.0° |
| C8 | C13 | C12 | 119.8° | 120.0° |
| C13 | C8 | C9 | 117.9° | 120.0° |
| C8 | C13 | H5 | 120.1° | 120.0° |
| C13 | C12 | C11 | 119.7° | 120.0° |
| C13 | C12 | H4 | 120.2° | 120.0° |
| C12 | C13 | H5 | 120.1° | 120.0° |
| C8 | C9 | C10 | 123.4° | 120.0° |
| C8 | C9 | H2 | 118.3° | 120.0° |
| C12 | C11 | C10 | 121.1° | 120.0° |
| C12 | C11 | O14 | 124.6° | 120.0° |
| C11 | C12 | H4 | 120.1° | 120.0° |
| C9 | C10 | C11 | 118.2° | 120.0° |
| C10 | C9 | H2 | 118.3° | 120.0° |
| C9 | C10 | H3 | 120.9° | 120.0° |
| C15 | C16 | O17 | 106.7° | 109.4° |
| C16 | C15 | O14 | 104.2° | 109.5° |
| C16 | C15 | H6 | 110.8° | 109.4° |
| C16 | C15 | H7 | 110.8° | 109.5° |
| C15 | C16 | H8 | 110.2° | 109.5° |
| C15 | C16 | H9 | 110.2° | 109.5° |
| C16 | O17 | C18 | 112.1° | 114.0° |
| O17 | C16 | H8 | 110.1° | 109.5° |
| O17 | C16 | H9 | 110.1° | 109.4° |
| C10 | C11 | O14 | 114.3° | 119.9° |
| C11 | C10 | H3 | 120.9° | 120.0° |
| C11 | O14 | C15 | 115.6° | 117.0° |
| O14 | C15 | H6 | 110.8° | 109.5° |
| O14 | C15 | H7 | 110.8° | 109.5° |
| O17 | C18 | H14 | 109.5° | 109.5° |
| O17 | C18 | H15 | 109.5° | 109.5° |
| O17 | C18 | H16 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H14 | C18 | H16 | 109.4° | 109.4° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H20 | C28 | H23 | 109.5° | 109.6° |
| H21 | C29 | H22 | 109.5° | 109.5° |
| H21 | C29 | H24 | 109.5° | 109.4° |
| H22 | C29 | H24 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F31 | C1 | C6 | N19 | 0.5° | 0.2° |
| F31 | C1 | C6 | C2 | 178.0° | 179.8° |
| F31 | C1 | C6 | N5 | 179.7° | 179.7° |
| F31 | C1 | C2 | N3 | 178.0° | 179.7° |
| F31 | C1 | C2 | H1 | 2.0° | 0.2° |
| C20 | N19 | C6 | H17 | 180.0° | 180.0° |
| N19 | C20 | C21 | C25 | 166.9° | 179.7° |
| N19 | C20 | C21 | C22 | 170.6° | 179.7° |
| C20 | N19 | C6 | C1 | 172.8° | 174.0° |
| C20 | N19 | C6 | N5 | 8.1° | 6.1° |
| N19 | C20 | C25 | C24 | 170.5° | 179.7° |
| N19 | C20 | C21 | H10 | 9.4° | 0.3° |
| N19 | C20 | C25 | H19 | 9.5° | 0.3° |
| C6 | N19 | C20 | C21 | 104.2° | 33.5° |
| C6 | N19 | C20 | C25 | 62.0° | 146.8° |
| N19 | C6 | C1 | N5 | 179.2° | 180.0° |
| N19 | C6 | C1 | C2 | 178.5° | 180.0° |
| N19 | C6 | N5 | C4 | 177.9° | 180.0° |
| C20 | C21 | C22 | H10 | 180.0° | 180.0° |
| C20 | C21 | C22 | N26 | 177.2° | 180.0° |
| C20 | C21 | C22 | C23 | 2.4° | 0.1° |
| C21 | C20 | C25 | C24 | 3.8° | 0.0° |
| C21 | C20 | N19 | H17 | 75.8° | 146.5° |
| C21 | C20 | C25 | H19 | 176.2° | 180.0° |
| C22 | C21 | C20 | C25 | 3.7° | 0.0° |
| C21 | C22 | N26 | C23 | 174.5° | 179.9° |
| C21 | C22 | N26 | C27 | 154.5° | 144.1° |
| C21 | C22 | C23 | C24 | 1.3° | 0.0° |
| C21 | C22 | N26 | H12 | 25.5° | 35.8° |
| C21 | C22 | C23 | H18 | 178.7° | 180.0° |
| C20 | C25 | C24 | H19 | 180.0° | 180.0° |
| C20 | C25 | C24 | C23 | 3.0° | 0.0° |
| C25 | C20 | C21 | H10 | 176.3° | 180.0° |
| C20 | C25 | C24 | H11 | 177.1° | 179.9° |
| C25 | C20 | N19 | H17 | 118.0° | 33.2° |
| C6 | C1 | C2 | N3 | 4.0° | 0.1° |
| C1 | C6 | N5 | C4 | 1.2° | 0.0° |
| C6 | C1 | C2 | H1 | 176.0° | 180.0° |
| C1 | C6 | N19 | H17 | 7.3° | 6.0° |
| C2 | C1 | C6 | N5 | 2.3° | 0.0° |
| C1 | C2 | N3 | H1 | 180.0° | 179.9° |
| C1 | C2 | N3 | C4 | 2.1° | 0.0° |
| C22 | N26 | C27 | H12 | 180.0° | 179.9° |
| C22 | N26 | C27 | C28 | 170.8° | 175.1° |
| N26 | C22 | C23 | C24 | 176.0° | 180.0° |
| C22 | N26 | C27 | O30 | 5.9° | 4.9° |
| N26 | C22 | C21 | H10 | 2.7° | 0.0° |
| N26 | C22 | C23 | H18 | 4.0° | 0.0° |
| C27 | N26 | C22 | C23 | 20.0° | 35.9° |
| N26 | C27 | C28 | O30 | 177.0° | 180.0° |
| N26 | C27 | C28 | C29 | 145.1° | 180.0° |
| N26 | C27 | C28 | H20 | 23.1° | 60.0° |
| N26 | C27 | C28 | H23 | 92.8° | 60.1° |
| C22 | C23 | C24 | C25 | 1.6° | 0.0° |
| C22 | C23 | C24 | H18 | 180.0° | 180.0° |
| C23 | C22 | C21 | H10 | 177.5° | 180.0° |
| C22 | C23 | C24 | H11 | 178.4° | 180.0° |
| C23 | C22 | N26 | H12 | 160.0° | 144.2° |
| C6 | N5 | C4 | N3 | 3.3° | 0.0° |
| C6 | N5 | C4 | N7 | 179.0° | 179.9° |
| N5 | C6 | N19 | H17 | 171.8° | 174.0° |
| C25 | C24 | C23 | H11 | 180.0° | 180.0° |
| C25 | C24 | C23 | H18 | 178.4° | 180.0° |
| C2 | N3 | C4 | N5 | 1.6° | 0.0° |
| C2 | N3 | C4 | N7 | 177.2° | 179.9° |
| C27 | C28 | C29 | H20 | 122.0° | 120.0° |
| C27 | C28 | C29 | H23 | 122.0° | 120.0° |
| C28 | C27 | N26 | H12 | 9.2° | 5.0° |
| C27 | C28 | H20 | H23 | 113.2° | 120.0° |
| C27 | C28 | C29 | H21 | 180.0° | 60.0° |
| C27 | C28 | C29 | H22 | 60.0° | 60.0° |
| C27 | C28 | C29 | H24 | 60.0° | 180.0° |
| C29 | C28 | C27 | O30 | 31.9° | 0.0° |
| C29 | C28 | H20 | H23 | 113.3° | 120.0° |
| C28 | C29 | H21 | H22 | 120.0° | 120.0° |
| C28 | C29 | H21 | H24 | 120.0° | 119.9° |
| C28 | C29 | H22 | H24 | 120.0° | 120.0° |
| C23 | C24 | C25 | H19 | 177.0° | 180.0° |
| O30 | C27 | N26 | H12 | 174.1° | 175.0° |
| O30 | C27 | C28 | H20 | 154.0° | 120.0° |
| O30 | C27 | C28 | H23 | 90.1° | 119.9° |
| N5 | C4 | N3 | N7 | 175.6° | 180.0° |
| N5 | C4 | N7 | C8 | 6.2° | 174.4° |
| N5 | C4 | N7 | H13 | 173.8° | 5.5° |
| N3 | C4 | N7 | C8 | 177.7° | 5.5° |
| C4 | N3 | C2 | H1 | 177.9° | 180.0° |
| N3 | C4 | N7 | H13 | 2.3° | 174.5° |
| C4 | N7 | C8 | H13 | 180.0° | 180.0° |
| C4 | N7 | C8 | C13 | 7.9° | 34.6° |
| C4 | N7 | C8 | C9 | 173.3° | 145.7° |
| N7 | C8 | C13 | C9 | 178.8° | 179.7° |
| N7 | C8 | C13 | C12 | 179.3° | 179.8° |
| N7 | C8 | C9 | C10 | 179.2° | 179.7° |
| N7 | C8 | C9 | H2 | 0.8° | 0.3° |
| N7 | C8 | C13 | H5 | 0.7° | 0.2° |
| C8 | C13 | C12 | H5 | 180.0° | 180.0° |
| C8 | C13 | C12 | C11 | 2.2° | 0.1° |
| C13 | C8 | C9 | C10 | 1.8° | 0.0° |
| C13 | C8 | C9 | H2 | 178.2° | 180.0° |
| C8 | C13 | C12 | H4 | 177.8° | 180.0° |
| C13 | C8 | N7 | H13 | 172.1° | 145.4° |
| C12 | C13 | C8 | C9 | 1.9° | 0.1° |
| C13 | C12 | C11 | H4 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 2.2° | 0.0° |
| C13 | C12 | C11 | O14 | 179.3° | 179.9° |
| C8 | C9 | C10 | H2 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 1.8° | 0.0° |
| C8 | C9 | C10 | H3 | 178.1° | 179.9° |
| C9 | C8 | C13 | H5 | 178.1° | 179.9° |
| C9 | C8 | N7 | H13 | 6.7° | 34.3° |
| C12 | C11 | C10 | C9 | 2.0° | 0.0° |
| C12 | C11 | C10 | O14 | 178.7° | 180.0° |
| C12 | C11 | O14 | C15 | 48.9° | 0.0° |
| C12 | C11 | C10 | H3 | 178.0° | 179.9° |
| C11 | C12 | C13 | H5 | 177.8° | 179.9° |
| C9 | C10 | C11 | H3 | 180.0° | 179.9° |
| C9 | C10 | C11 | O14 | 179.3° | 180.0° |
| C15 | C16 | O17 | H8 | 119.6° | 120.0° |
| C15 | C16 | O17 | H9 | 119.6° | 119.9° |
| C16 | C15 | O14 | C11 | 91.9° | 180.0° |
| C16 | C15 | O14 | H6 | 119.1° | 120.0° |
| C16 | C15 | O14 | H7 | 119.1° | 120.0° |
| C15 | C16 | O17 | C18 | 20.5° | 180.0° |
| C16 | C15 | H6 | H7 | 122.4° | 120.0° |
| C15 | C16 | H8 | H9 | 121.3° | 120.0° |
| O17 | C16 | C15 | O14 | 101.4° | 65.0° |
| O17 | C16 | C15 | H6 | 17.8° | 175.0° |
| O17 | C16 | C15 | H7 | 139.5° | 55.1° |
| O17 | C16 | H8 | H9 | 121.2° | 120.0° |
| C16 | O17 | C18 | H14 | 180.0° | 60.0° |
| C16 | O17 | C18 | H15 | 60.0° | 180.0° |
| C16 | O17 | C18 | H16 | 60.0° | 60.0° |
| C10 | C11 | O14 | C15 | 129.7° | 180.0° |
| C11 | C10 | C9 | H2 | 178.1° | 180.0° |
| C10 | C11 | C12 | H4 | 177.8° | 180.0° |
| O14 | C11 | C10 | H3 | 0.7° | 0.1° |
| O14 | C11 | C12 | H4 | 0.8° | 0.0° |
| C11 | O14 | C15 | H6 | 149.0° | 60.0° |
| C11 | O14 | C15 | H7 | 27.3° | 60.0° |
| O14 | C15 | H6 | H7 | 122.5° | 120.0° |
| O14 | C15 | C16 | H8 | 18.2° | 175.0° |
| O14 | C15 | C16 | H9 | 139.0° | 54.9° |
| C18 | O17 | C16 | H8 | 99.1° | 60.0° |
| C18 | O17 | C16 | H9 | 140.1° | 60.0° |
| O17 | C18 | H14 | H15 | 120.0° | 120.0° |
| O17 | C18 | H14 | H16 | 120.0° | 120.0° |
| O17 | C18 | H15 | H16 | 120.0° | 120.0° |
| H2 | C9 | C10 | H3 | 1.9° | 0.0° |
| H4 | C12 | C13 | H5 | 2.2° | 0.0° |
| H6 | C15 | C16 | H8 | 137.3° | 55.0° |
| H6 | C15 | C16 | H9 | 101.8° | 65.1° |
| H7 | C15 | C16 | H8 | 101.0° | 65.0° |
| H7 | C15 | C16 | H9 | 19.9° | 175.0° |
| H11 | C24 | C23 | H18 | 1.6° | 0.0° |
| H11 | C24 | C25 | H19 | 3.0° | 0.0° |
| H14 | C18 | H15 | H16 | 120.0° | 119.9° |
| H20 | C28 | C29 | H21 | 58.0° | 180.0° |
| H20 | C28 | C29 | H22 | 178.0° | 60.0° |
| H20 | C28 | C29 | H24 | 62.0° | 60.1° |
| H21 | C29 | H22 | H24 | 120.0° | 120.0° |
| H21 | C29 | C28 | H23 | 58.0° | 60.0° |
| H22 | C29 | C28 | H23 | 62.1° | 180.0° |
| H23 | C28 | C29 | H24 | 178.0° | 60.0° |
