GW7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C20 | sing | 1.74Å | 1.72Å | |
| O1 | C6 | sing | 1.43Å | 1.43Å | |
| O1 | C7 | sing | 1.36Å | 1.40Å | |
| C6 | C5 | sing | 1.51Å | 1.49Å | |
| C20 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| F1 | C1 | sing | 1.35Å | 1.34Å | |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | N1 | sing | 1.40Å | 1.41Å | |
| N1 | C11 | sing | 1.39Å | 1.41Å | |
| N2 | C11 | doub | 1.33Å | 1.34Å | Aromatic |
| N2 | C12 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | C18 | sing | 1.41Å | 1.38Å | Aromatic |
| C12 | N3 | doub | 1.31Å | 1.34Å | Aromatic |
| C18 | S1 | sing | 1.76Å | 1.72Å | Aromatic |
| C18 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| N3 | C13 | sing | 1.35Å | 1.35Å | Aromatic |
| S1 | C15 | sing | 1.76Å | 1.72Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C15 | doub | 1.32Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.48Å | |
| C16 | C17 | sing | 1.53Å | 1.38Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C20 | C7 | 120.3° | 120.0° |
| CL1 | C20 | C19 | 118.9° | 120.0° |
| C6 | O1 | C7 | 112.0° | 117.1° |
| O1 | C6 | C5 | 109.2° | 109.5° |
| O1 | C6 | H61 | 109.6° | 109.5° |
| O1 | C6 | H62 | 109.6° | 109.5° |
| O1 | C7 | C20 | 117.0° | 120.1° |
| O1 | C7 | C8 | 124.0° | 119.9° |
| C6 | C5 | C21 | 120.7° | 120.0° |
| C6 | C5 | C4 | 120.0° | 120.0° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.6° | 109.5° |
| C7 | C20 | C19 | 120.9° | 120.0° |
| C20 | C7 | C8 | 118.9° | 120.0° |
| C20 | C19 | C10 | 120.7° | 120.0° |
| C20 | C19 | H19 | 119.6° | 120.1° |
| C7 | C8 | C9 | 119.9° | 120.0° |
| C7 | C8 | H8 | 120.0° | 120.0° |
| C5 | C21 | C1 | 120.0° | 120.0° |
| C21 | C5 | C4 | 119.3° | 120.0° |
| C5 | C21 | H21 | 120.0° | 120.1° |
| C21 | C1 | F1 | 119.0° | 120.0° |
| C21 | C1 | C2 | 121.0° | 120.0° |
| C1 | C21 | H21 | 120.0° | 120.0° |
| C5 | C4 | C3 | 120.5° | 120.1° |
| C5 | C4 | H4 | 119.8° | 120.0° |
| F1 | C1 | C2 | 120.0° | 120.0° |
| C1 | C2 | C3 | 119.0° | 120.0° |
| C1 | C2 | H2 | 120.5° | 120.0° |
| C19 | C10 | C9 | 118.2° | 120.0° |
| C19 | C10 | N1 | 120.6° | 120.0° |
| C10 | C19 | H19 | 119.6° | 120.0° |
| C4 | C3 | C2 | 120.3° | 120.0° |
| C4 | C3 | H3 | 119.8° | 119.9° |
| C3 | C4 | H4 | 119.8° | 120.0° |
| C8 | C9 | C10 | 121.3° | 120.0° |
| C9 | C8 | H8 | 120.1° | 120.0° |
| C8 | C9 | H9 | 119.3° | 119.9° |
| C3 | C2 | H2 | 120.5° | 120.0° |
| C2 | C3 | H3 | 119.9° | 120.0° |
| C9 | C10 | N1 | 121.2° | 120.0° |
| C10 | C9 | H9 | 119.4° | 120.1° |
| C10 | N1 | C11 | 125.8° | 120.0° |
| C10 | N1 | H1 | 117.1° | 120.0° |
| N1 | C11 | N2 | 124.6° | 120.6° |
| N1 | C11 | C18 | 119.3° | 120.6° |
| C11 | N1 | H1 | 117.1° | 120.0° |
| C11 | N2 | C12 | 118.4° | 120.8° |
| N2 | C11 | C18 | 116.1° | 118.8° |
| N2 | C12 | N3 | 129.3° | 122.6° |
| N2 | C12 | H12 | 115.4° | 118.7° |
| C11 | C18 | S1 | 127.4° | 131.6° |
| C11 | C18 | C13 | 122.3° | 118.9° |
| C12 | N3 | C13 | 112.4° | 121.1° |
| N3 | C12 | H12 | 115.3° | 118.7° |
| S1 | C18 | C13 | 110.3° | 109.5° |
| C18 | S1 | C15 | 93.6° | 91.5° |
| C18 | C13 | N3 | 121.5° | 117.8° |
| C18 | C13 | C14 | 112.5° | 112.5° |
| N3 | C13 | C14 | 126.0° | 129.7° |
| S1 | C15 | C14 | 110.0° | 110.7° |
| S1 | C15 | C16 | 118.7° | 124.6° |
| C13 | C14 | C15 | 113.6° | 115.8° |
| C13 | C14 | H14 | 123.2° | 122.1° |
| C14 | C15 | C16 | 131.3° | 124.6° |
| C15 | C14 | H14 | 123.2° | 122.1° |
| C15 | C16 | C17 | 115.6° | 109.4° |
| C15 | C16 | H161 | 107.5° | 109.5° |
| C15 | C16 | H162 | 106.1° | 109.5° |
| C17 | C16 | H161 | 107.5° | 109.5° |
| C17 | C16 | H162 | 106.1° | 109.5° |
| C16 | C17 | H171 | 109.5° | 109.4° |
| C16 | C17 | H172 | 109.5° | 109.4° |
| C16 | C17 | H173 | 109.5° | 109.4° |
| H61 | C6 | H62 | 109.3° | 109.4° |
| H161 | C16 | H162 | 114.4° | 109.5° |
| H171 | C17 | H172 | 109.4° | 109.5° |
| H171 | C17 | H173 | 109.4° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C20 | C7 | O1 | 0.3° | 0.0° |
| CL1 | C20 | C7 | C19 | 179.9° | 179.8° |
| CL1 | C20 | C7 | C8 | 179.9° | 179.7° |
| CL1 | C20 | C19 | C10 | 179.9° | 179.7° |
| CL1 | C20 | C19 | H19 | 0.1° | 0.1° |
| O1 | C6 | C5 | H61 | 120.0° | 120.0° |
| O1 | C6 | C5 | H62 | 120.1° | 120.0° |
| C6 | O1 | C7 | C20 | 166.7° | 179.7° |
| C6 | O1 | C7 | C8 | 13.7° | 0.0° |
| O1 | C6 | C5 | C21 | 3.4° | 89.7° |
| O1 | C6 | C5 | C4 | 175.9° | 90.0° |
| O1 | C6 | H61 | H62 | 120.1° | 120.0° |
| C7 | O1 | C6 | C5 | 93.8° | 180.0° |
| O1 | C7 | C20 | C8 | 179.6° | 179.8° |
| O1 | C7 | C20 | C19 | 179.6° | 179.7° |
| O1 | C7 | C8 | C9 | 179.6° | 180.0° |
| C7 | O1 | C6 | H61 | 146.2° | 60.0° |
| C7 | O1 | C6 | H62 | 26.3° | 60.0° |
| O1 | C7 | C8 | H8 | 0.4° | 0.0° |
| C6 | C5 | C21 | C4 | 179.4° | 179.7° |
| C6 | C5 | C21 | C1 | 179.2° | 179.8° |
| C6 | C5 | C4 | C3 | 179.7° | 180.0° |
| C6 | C5 | C4 | H4 | 0.4° | 0.0° |
| C5 | C6 | H61 | H62 | 120.1° | 120.0° |
| C6 | C5 | C21 | H21 | 0.8° | 0.3° |
| C7 | C20 | C19 | C10 | 0.2° | 0.5° |
| C20 | C7 | C8 | C9 | 0.0° | 0.3° |
| C20 | C7 | C8 | H8 | 180.0° | 179.7° |
| C7 | C20 | C19 | H19 | 179.8° | 179.7° |
| C19 | C20 | C7 | C8 | 0.0° | 0.5° |
| C20 | C19 | C10 | H19 | 180.0° | 179.8° |
| C20 | C19 | C10 | C9 | 0.3° | 0.2° |
| C20 | C19 | C10 | N1 | 179.5° | 179.7° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C7 | C8 | C9 | H9 | 179.9° | 180.0° |
| C5 | C21 | C1 | H21 | 180.0° | 179.5° |
| C5 | C21 | C1 | F1 | 179.7° | 179.7° |
| C5 | C21 | C1 | C2 | 0.4° | 0.5° |
| C21 | C5 | C4 | C3 | 0.3° | 0.3° |
| C21 | C5 | C4 | H4 | 179.7° | 179.7° |
| C21 | C5 | C6 | H61 | 116.6° | 30.3° |
| C21 | C5 | C6 | H62 | 123.5° | 150.3° |
| C1 | C21 | C5 | C4 | 0.1° | 0.6° |
| C21 | C1 | F1 | C2 | 179.9° | 179.7° |
| C21 | C1 | C2 | C3 | 0.3° | 0.3° |
| C21 | C1 | C2 | H2 | 179.7° | 179.8° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.5° | 0.0° |
| C5 | C4 | C3 | H3 | 179.5° | 179.9° |
| C4 | C5 | C6 | H61 | 64.1° | 150.0° |
| C4 | C5 | C6 | H62 | 55.8° | 30.0° |
| C4 | C5 | C21 | H21 | 179.9° | 180.0° |
| F1 | C1 | C2 | C3 | 179.9° | 180.0° |
| F1 | C1 | C2 | H2 | 0.1° | 0.1° |
| F1 | C1 | C21 | H21 | 0.3° | 0.2° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | H3 | 179.8° | 179.9° |
| C2 | C1 | C21 | H21 | 179.6° | 180.0° |
| C19 | C10 | C9 | C8 | 0.3° | 0.1° |
| C19 | C10 | C9 | N1 | 179.1° | 179.9° |
| C19 | C10 | N1 | C11 | 51.2° | 147.1° |
| C19 | C10 | C9 | H9 | 179.7° | 180.0° |
| C19 | C10 | N1 | H1 | 128.8° | 32.9° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | H2 | 179.8° | 179.9° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | N1 | 179.4° | 180.0° |
| C2 | C3 | C4 | H4 | 179.6° | 180.0° |
| C9 | C10 | N1 | C11 | 129.7° | 32.8° |
| C10 | C9 | C8 | H8 | 179.9° | 180.0° |
| C9 | C10 | N1 | H1 | 50.3° | 147.2° |
| C9 | C10 | C19 | H19 | 179.7° | 180.0° |
| C10 | N1 | C11 | H1 | 180.0° | 179.9° |
| C10 | N1 | C11 | N2 | 2.9° | 5.9° |
| C10 | N1 | C11 | C18 | 177.5° | 174.4° |
| N1 | C10 | C9 | H9 | 0.6° | 0.1° |
| N1 | C10 | C19 | H19 | 0.6° | 0.1° |
| N1 | C11 | N2 | C18 | 179.6° | 179.7° |
| N1 | C11 | N2 | C12 | 179.8° | 180.0° |
| N1 | C11 | C18 | S1 | 0.2° | 0.6° |
| N1 | C11 | C18 | C13 | 179.7° | 179.8° |
| C11 | N2 | C12 | N3 | 0.3° | 0.0° |
| N2 | C11 | C18 | S1 | 179.8° | 179.7° |
| N2 | C11 | C18 | C13 | 0.1° | 0.5° |
| N2 | C11 | N1 | H1 | 177.1° | 174.2° |
| C11 | N2 | C12 | H12 | 179.7° | 179.9° |
| C12 | N2 | C11 | C18 | 0.2° | 0.3° |
| N2 | C12 | N3 | H12 | 180.0° | 180.0° |
| N2 | C12 | N3 | C13 | 0.3° | 0.0° |
| C11 | C18 | S1 | C13 | 179.9° | 179.3° |
| C11 | C18 | C13 | N3 | 0.1° | 0.5° |
| C11 | C18 | S1 | C15 | 179.7° | 179.6° |
| C11 | C18 | C13 | C14 | 179.7° | 179.7° |
| C18 | C11 | N1 | H1 | 2.5° | 5.5° |
| C12 | N3 | C13 | C18 | 0.2° | 0.2° |
| C12 | N3 | C13 | C14 | 179.7° | 180.0° |
| S1 | C18 | C13 | N3 | 179.8° | 179.8° |
| S1 | C18 | C13 | C14 | 0.2° | 0.3° |
| C18 | S1 | C15 | C14 | 0.2° | 0.2° |
| C18 | S1 | C15 | C16 | 179.6° | 179.8° |
| C18 | C13 | N3 | C14 | 179.5° | 179.8° |
| C13 | C18 | S1 | C15 | 0.3° | 0.3° |
| C18 | C13 | C14 | C15 | 0.1° | 0.2° |
| C18 | C13 | C14 | H14 | 179.9° | 179.8° |
| N3 | C13 | C14 | C15 | 179.6° | 180.0° |
| C13 | N3 | C12 | H12 | 179.7° | 180.0° |
| N3 | C13 | C14 | H14 | 0.3° | 0.0° |
| S1 | C15 | C14 | C13 | 0.1° | 0.1° |
| S1 | C15 | C14 | C16 | 179.8° | 179.9° |
| S1 | C15 | C16 | C17 | 40.3° | 90.0° |
| S1 | C15 | C14 | H14 | 179.9° | 180.0° |
| S1 | C15 | C16 | H161 | 79.7° | 30.0° |
| S1 | C15 | C16 | H162 | 157.6° | 150.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 179.7° | 180.0° |
| C14 | C15 | C16 | C17 | 139.4° | 90.1° |
| C14 | C15 | C16 | H161 | 100.6° | 149.9° |
| C14 | C15 | C16 | H162 | 22.2° | 29.9° |
| C15 | C16 | C17 | H161 | 120.0° | 120.0° |
| C15 | C16 | C17 | H162 | 117.2° | 120.0° |
| C16 | C15 | C14 | H14 | 0.3° | 0.0° |
| C15 | C16 | H161 | H162 | 117.5° | 120.0° |
| C15 | C16 | C17 | H171 | 63.5° | 60.0° |
| C15 | C16 | C17 | H172 | 176.5° | 60.0° |
| C15 | C16 | C17 | H173 | 56.5° | 180.0° |
| C17 | C16 | H161 | H162 | 117.5° | 120.0° |
| C16 | C17 | H171 | H172 | 120.0° | 119.9° |
| C16 | C17 | H171 | H173 | 120.0° | 119.9° |
| C16 | C17 | H172 | H173 | 120.0° | 120.0° |
| H2 | C2 | C3 | H3 | 0.2° | 0.0° |
| H3 | C3 | C4 | H4 | 0.4° | 0.1° |
| H8 | C8 | C9 | H9 | 0.1° | 0.1° |
| H161 | C16 | C17 | H171 | 56.4° | 180.0° |
| H161 | C16 | C17 | H172 | 63.5° | 60.0° |
| H161 | C16 | C17 | H173 | 176.4° | 60.0° |
| H162 | C16 | C17 | H171 | 179.2° | 60.0° |
| H162 | C16 | C17 | H172 | 59.2° | 180.0° |
| H162 | C16 | C17 | H173 | 60.8° | 60.0° |
| H171 | C17 | H172 | H173 | 120.0° | 120.1° |
