GGN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C21 | sing | 1.40Å | 1.29Å | |
| O1 | C18 | doub | 1.22Å | 1.28Å | |
| C21 | F3 | sing | 1.40Å | 1.34Å | |
| C21 | F2 | sing | 1.40Å | 1.30Å | |
| C21 | C20 | sing | 1.53Å | 1.49Å | |
| C14 | C13 | doub | 1.37Å | 1.36Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C15 | sing | 1.48Å | 1.50Å | |
| C18 | N3 | sing | 1.35Å | 1.31Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | N3 | sing | 1.46Å | 1.46Å | |
| C13 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.42Å | Aromatic |
| C8 | N1 | sing | 1.32Å | 1.32Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.35Å | Aromatic |
| N1 | C4 | doub | 1.32Å | 1.35Å | Aromatic |
| N2 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| N2 | C9 | doub | 1.30Å | 1.36Å | Aromatic |
| C12 | C10 | sing | 1.48Å | 1.45Å | |
| C12 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.37Å | 1.41Å | Aromatic |
| C6 | C9 | sing | 1.48Å | 1.47Å | |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.35Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C9 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C11 | S1 | sing | 1.71Å | 1.73Å | Aromatic |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C21 | F3 | 112.2° | 109.4° |
| F1 | C21 | F2 | 104.0° | 109.5° |
| F1 | C21 | C20 | 108.9° | 109.5° |
| O1 | C18 | C15 | 119.1° | 119.9° |
| O1 | C18 | N3 | 121.0° | 120.0° |
| F3 | C21 | F2 | 103.2° | 109.5° |
| F3 | C21 | C20 | 112.2° | 109.5° |
| F2 | C21 | C20 | 116.1° | 109.5° |
| C21 | C20 | C19 | 114.8° | 109.4° |
| C21 | C20 | H19 | 108.1° | 109.5° |
| C21 | C20 | H20 | 108.1° | 109.5° |
| C13 | C14 | C15 | 122.5° | 120.0° |
| C14 | C13 | C12 | 119.7° | 120.0° |
| C13 | C14 | H1 | 118.7° | 120.0° |
| C14 | C13 | H6 | 120.1° | 120.0° |
| C14 | C15 | C18 | 123.5° | 120.0° |
| C14 | C15 | C16 | 118.9° | 120.0° |
| C15 | C14 | H1 | 118.7° | 120.0° |
| C15 | C18 | N3 | 119.9° | 120.0° |
| C18 | C15 | C16 | 117.5° | 120.0° |
| C18 | N3 | C19 | 120.8° | 120.0° |
| C18 | N3 | H9 | 119.6° | 120.0° |
| C20 | C19 | N3 | 109.8° | 109.5° |
| C20 | C19 | H17 | 109.4° | 109.5° |
| C20 | C19 | H18 | 109.4° | 109.5° |
| C19 | C20 | H19 | 108.2° | 109.5° |
| C19 | C20 | H20 | 108.1° | 109.4° |
| C19 | N3 | H9 | 119.6° | 120.0° |
| N3 | C19 | H17 | 109.4° | 109.5° |
| N3 | C19 | H18 | 109.4° | 109.5° |
| C13 | C12 | C10 | 119.9° | 120.0° |
| C13 | C12 | C17 | 118.8° | 120.0° |
| C12 | C13 | H6 | 120.1° | 119.9° |
| C7 | C8 | N1 | 122.1° | 120.9° |
| C8 | C7 | C6 | 118.5° | 119.0° |
| C8 | C7 | H4 | 120.8° | 120.5° |
| C7 | C8 | H5 | 118.9° | 119.5° |
| C8 | N1 | C4 | 120.3° | 122.1° |
| N1 | C8 | H5 | 118.9° | 119.6° |
| C15 | C16 | C17 | 118.2° | 119.9° |
| C15 | C16 | H15 | 120.9° | 120.1° |
| C7 | C6 | C9 | 118.6° | 120.9° |
| C7 | C6 | C5 | 119.7° | 118.2° |
| C6 | C7 | H4 | 120.8° | 120.5° |
| N1 | C4 | C5 | 119.9° | 120.9° |
| N1 | C4 | C3 | 117.6° | 119.5° |
| C10 | N2 | C9 | 113.2° | 115.8° |
| N2 | C10 | C12 | 123.3° | 122.3° |
| N2 | C10 | C11 | 115.5° | 115.4° |
| N2 | C9 | C6 | 125.7° | 125.4° |
| N2 | C9 | S1 | 111.0° | 109.2° |
| C10 | C12 | C17 | 121.3° | 120.0° |
| C12 | C10 | C11 | 121.2° | 122.3° |
| C12 | C17 | C16 | 121.8° | 120.0° |
| C12 | C17 | H16 | 119.1° | 120.0° |
| C17 | C16 | H15 | 120.9° | 120.0° |
| C16 | C17 | H16 | 119.1° | 119.9° |
| C9 | C6 | C5 | 121.6° | 120.9° |
| C6 | C9 | S1 | 123.2° | 125.4° |
| C6 | C5 | C4 | 119.4° | 119.0° |
| C6 | C5 | H2 | 120.3° | 120.5° |
| C10 | C11 | S1 | 108.6° | 109.1° |
| C10 | C11 | H3 | 125.7° | 125.5° |
| C5 | C4 | C3 | 122.5° | 119.5° |
| C4 | C5 | H2 | 120.3° | 120.5° |
| C4 | C3 | C2 | 108.6° | 109.5° |
| C4 | C3 | H7 | 109.7° | 109.5° |
| C4 | C3 | H8 | 109.7° | 109.5° |
| C9 | S1 | C11 | 91.4° | 90.5° |
| C3 | C2 | C1 | 112.1° | 109.5° |
| C2 | C3 | H7 | 109.7° | 109.5° |
| C2 | C3 | H8 | 109.7° | 109.4° |
| C3 | C2 | H13 | 108.8° | 109.5° |
| C3 | C2 | H14 | 108.8° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.4° | 109.5° |
| C1 | C2 | H13 | 108.8° | 109.4° |
| C1 | C2 | H14 | 108.8° | 109.4° |
| S1 | C11 | H3 | 125.7° | 125.4° |
| H7 | C3 | H8 | 109.4° | 109.5° |
| H10 | C1 | H11 | 109.4° | 109.5° |
| H10 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H13 | C2 | H14 | 109.4° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H19 | C20 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C21 | F3 | F2 | 111.3° | 120.0° |
| F1 | C21 | F3 | C20 | 123.0° | 120.0° |
| F1 | C21 | F2 | C20 | 119.5° | 120.0° |
| F1 | C21 | C20 | C19 | 59.6° | 180.0° |
| F1 | C21 | C20 | H19 | 179.6° | 60.0° |
| F1 | C21 | C20 | H20 | 61.1° | 60.1° |
| O1 | C18 | C15 | C14 | 13.0° | 0.0° |
| O1 | C18 | C15 | N3 | 178.3° | 179.9° |
| O1 | C18 | N3 | C19 | 6.0° | 0.0° |
| O1 | C18 | C15 | C16 | 163.6° | 179.9° |
| O1 | C18 | N3 | H9 | 174.0° | 179.9° |
| F3 | C21 | F2 | C20 | 123.2° | 120.0° |
| F3 | C21 | C20 | C19 | 175.5° | 60.1° |
| F3 | C21 | C20 | H19 | 54.7° | 60.0° |
| F3 | C21 | C20 | H20 | 63.7° | 180.0° |
| F2 | C21 | C20 | C19 | 57.2° | 60.0° |
| F2 | C21 | C20 | H19 | 63.6° | 180.0° |
| F2 | C21 | C20 | H20 | 177.9° | 59.9° |
| C21 | C20 | C19 | H19 | 120.8° | 120.0° |
| C21 | C20 | C19 | H20 | 120.8° | 119.9° |
| C21 | C20 | C19 | N3 | 168.2° | 180.0° |
| C21 | C20 | C19 | H17 | 48.2° | 60.0° |
| C21 | C20 | C19 | H18 | 71.7° | 60.0° |
| C21 | C20 | H19 | H20 | 117.6° | 120.0° |
| C13 | C14 | C15 | H1 | 180.0° | 179.8° |
| C13 | C14 | C15 | C18 | 178.5° | 180.0° |
| C14 | C13 | C12 | H6 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.9° | 0.1° |
| C14 | C13 | C12 | C10 | 179.5° | 180.0° |
| C14 | C13 | C12 | C17 | 0.1° | 0.0° |
| C14 | C15 | C18 | C16 | 176.6° | 179.9° |
| C14 | C15 | C18 | N3 | 168.7° | 180.0° |
| C15 | C14 | C13 | C12 | 1.5° | 0.1° |
| C14 | C15 | C16 | C17 | 1.0° | 0.0° |
| C15 | C14 | C13 | H6 | 178.5° | 180.0° |
| C14 | C15 | C16 | H15 | 178.9° | 180.0° |
| C15 | C18 | N3 | C19 | 172.2° | 180.0° |
| C18 | C15 | C16 | C17 | 177.8° | 180.0° |
| C18 | C15 | C14 | H1 | 1.5° | 0.2° |
| C15 | C18 | N3 | H9 | 7.8° | 0.0° |
| C18 | C15 | C16 | H15 | 2.2° | 0.0° |
| C18 | N3 | C19 | C20 | 93.1° | 180.0° |
| C18 | N3 | C19 | H9 | 180.0° | 180.0° |
| N3 | C18 | C15 | C16 | 14.7° | 0.0° |
| C18 | N3 | C19 | H17 | 27.0° | 60.0° |
| C18 | N3 | C19 | H18 | 146.9° | 60.0° |
| C20 | C19 | N3 | H17 | 120.1° | 120.0° |
| C20 | C19 | N3 | H18 | 120.0° | 120.0° |
| C20 | C19 | N3 | H9 | 86.9° | 0.1° |
| C20 | C19 | H17 | H18 | 119.8° | 120.0° |
| C19 | C20 | H19 | H20 | 117.6° | 120.0° |
| N3 | C19 | H17 | H18 | 119.8° | 120.0° |
| N3 | C19 | C20 | H19 | 71.0° | 60.0° |
| N3 | C19 | C20 | H20 | 47.5° | 60.1° |
| C13 | C12 | C10 | N2 | 23.0° | 180.0° |
| C13 | C12 | C10 | C17 | 179.4° | 180.0° |
| C13 | C12 | C17 | C16 | 0.7° | 0.0° |
| C13 | C12 | C10 | C11 | 159.2° | 0.0° |
| C12 | C13 | C14 | H1 | 178.5° | 179.7° |
| C13 | C12 | C17 | H16 | 179.3° | 179.9° |
| C7 | C8 | N1 | H5 | 180.0° | 179.7° |
| C8 | C7 | C6 | H4 | 180.0° | 179.9° |
| C7 | C8 | N1 | C4 | 2.5° | 0.6° |
| C8 | C7 | C6 | C9 | 178.7° | 180.0° |
| C8 | C7 | C6 | C5 | 2.6° | 0.1° |
| N1 | C8 | C7 | C6 | 3.0° | 0.3° |
| C8 | N1 | C4 | C5 | 1.8° | 0.5° |
| C8 | N1 | C4 | C3 | 178.7° | 179.7° |
| N1 | C8 | C7 | H4 | 177.0° | 179.8° |
| C15 | C16 | C17 | C12 | 0.3° | 0.0° |
| C15 | C16 | C17 | H15 | 180.0° | 180.0° |
| C16 | C15 | C14 | H1 | 178.0° | 179.7° |
| C15 | C16 | C17 | H16 | 179.7° | 179.9° |
| C7 | C6 | C9 | N2 | 22.2° | 0.0° |
| C7 | C6 | C9 | C5 | 176.0° | 180.0° |
| C7 | C6 | C5 | C4 | 2.0° | 0.0° |
| C7 | C6 | C9 | S1 | 162.4° | 180.0° |
| C7 | C6 | C5 | H2 | 178.0° | 180.0° |
| C6 | C7 | C8 | H5 | 177.0° | 180.0° |
| N1 | C4 | C5 | C6 | 1.5° | 0.3° |
| N1 | C4 | C5 | C3 | 179.5° | 179.8° |
| N1 | C4 | C3 | C2 | 76.9° | 55.2° |
| N1 | C4 | C5 | H2 | 178.5° | 179.8° |
| C4 | N1 | C8 | H5 | 177.5° | 179.7° |
| N1 | C4 | C3 | H7 | 163.2° | 64.8° |
| N1 | C4 | C3 | H8 | 43.0° | 175.2° |
| N2 | C10 | C12 | C11 | 177.9° | 180.0° |
| N2 | C10 | C12 | C17 | 157.6° | 0.0° |
| C10 | N2 | C9 | C6 | 169.0° | 180.0° |
| C10 | N2 | C9 | S1 | 6.9° | 0.0° |
| N2 | C10 | C11 | S1 | 0.2° | 0.0° |
| N2 | C10 | C11 | H3 | 179.8° | 179.8° |
| C9 | N2 | C10 | C12 | 173.3° | 180.0° |
| N2 | C9 | C6 | S1 | 175.4° | 180.0° |
| N2 | C9 | C6 | C5 | 153.9° | 179.9° |
| C9 | N2 | C10 | C11 | 4.7° | 0.0° |
| N2 | C9 | S1 | C11 | 5.7° | 0.0° |
| C10 | C12 | C17 | C16 | 178.7° | 180.0° |
| C12 | C10 | C11 | S1 | 177.8° | 180.0° |
| C12 | C10 | C11 | H3 | 2.2° | 0.2° |
| C10 | C12 | C13 | H6 | 0.4° | 0.0° |
| C10 | C12 | C17 | H16 | 1.3° | 0.0° |
| C12 | C17 | C16 | H16 | 180.0° | 179.9° |
| C17 | C12 | C10 | C11 | 20.3° | 180.0° |
| C17 | C12 | C13 | H6 | 179.9° | 180.0° |
| C12 | C17 | C16 | H15 | 179.8° | 180.0° |
| C9 | C6 | C5 | C4 | 178.0° | 180.0° |
| C6 | C9 | S1 | C11 | 170.3° | 180.0° |
| C9 | C6 | C5 | H2 | 2.0° | 0.0° |
| C9 | C6 | C7 | H4 | 1.2° | 0.1° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 179.0° | 179.9° |
| C5 | C6 | C9 | S1 | 21.6° | 0.1° |
| C5 | C6 | C7 | H4 | 177.4° | 180.0° |
| C10 | C11 | S1 | C9 | 3.1° | 0.0° |
| C10 | C11 | S1 | H3 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 103.6° | 125.0° |
| C5 | C4 | C3 | H7 | 16.3° | 115.0° |
| C5 | C4 | C3 | H8 | 136.5° | 5.0° |
| C4 | C3 | C2 | H7 | 119.9° | 120.0° |
| C4 | C3 | C2 | H8 | 119.9° | 120.0° |
| C4 | C3 | C2 | C1 | 71.6° | 180.0° |
| C3 | C4 | C5 | H2 | 1.0° | 0.0° |
| C4 | C3 | H7 | H8 | 120.4° | 120.0° |
| C4 | C3 | C2 | H13 | 168.0° | 60.0° |
| C4 | C3 | C2 | H14 | 48.8° | 60.0° |
| C9 | S1 | C11 | H3 | 176.9° | 179.8° |
| C3 | C2 | C1 | H13 | 120.4° | 120.0° |
| C3 | C2 | C1 | H14 | 120.4° | 120.0° |
| C2 | C3 | H7 | H8 | 120.4° | 120.0° |
| C3 | C2 | C1 | H10 | 180.0° | 60.0° |
| C3 | C2 | C1 | H11 | 60.0° | 60.0° |
| C3 | C2 | C1 | H12 | 60.0° | 180.0° |
| C3 | C2 | H13 | H14 | 118.8° | 120.0° |
| C1 | C2 | C3 | H7 | 48.2° | 60.0° |
| C1 | C2 | C3 | H8 | 168.5° | 60.0° |
| C2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C1 | C2 | H13 | H14 | 118.8° | 120.0° |
| H1 | C14 | C13 | H6 | 1.5° | 0.3° |
| H4 | C7 | C8 | H5 | 3.0° | 0.1° |
| H7 | C3 | C2 | H13 | 72.2° | 180.0° |
| H7 | C3 | C2 | H14 | 168.6° | 60.0° |
| H8 | C3 | C2 | H13 | 48.1° | 60.0° |
| H8 | C3 | C2 | H14 | 71.1° | 180.0° |
| H9 | N3 | C19 | H17 | 153.0° | 119.9° |
| H9 | N3 | C19 | H18 | 33.1° | 120.1° |
| H10 | C1 | H11 | H12 | 120.0° | 120.0° |
| H10 | C1 | C2 | H13 | 59.6° | 180.0° |
| H10 | C1 | C2 | H14 | 59.6° | 60.0° |
| H11 | C1 | C2 | H13 | 179.6° | 60.0° |
| H11 | C1 | C2 | H14 | 60.4° | 180.0° |
| H12 | C1 | C2 | H13 | 60.4° | 60.0° |
| H12 | C1 | C2 | H14 | 179.6° | 60.0° |
| H15 | C16 | C17 | H16 | 0.2° | 0.1° |
| H17 | C19 | C20 | H19 | 169.0° | 180.0° |
| H17 | C19 | C20 | H20 | 72.6° | 59.9° |
| H18 | C19 | C20 | H19 | 49.1° | 60.0° |
| H18 | C19 | C20 | H20 | 167.5° | 180.0° |
