GFV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O26 | C02 | sing | 1.43Å | 1.44Å | |
| C02 | C03 | sing | 1.51Å | 1.55Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C08 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.43Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.45Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.42Å | Aromatic |
| C04 | N05 | doub | 1.32Å | 1.32Å | Aromatic |
| C06 | N05 | sing | 1.32Å | 1.35Å | Aromatic |
| C06 | C09 | sing | 1.51Å | 1.53Å | |
| C09 | C10 | sing | 1.53Å | 1.64Å | |
| C10 | O11 | sing | 1.43Å | 1.36Å | |
| O11 | C12 | sing | 1.36Å | 1.44Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C18 | sing | 1.51Å | 1.56Å | |
| S25 | C19 | sing | 1.82Å | 1.62Å | |
| S25 | C23 | sing | 1.77Å | 1.70Å | |
| C18 | C19 | sing | 1.53Å | 1.50Å | |
| C19 | C20 | sing | 1.51Å | 1.57Å | |
| C23 | O24 | doub | 1.22Å | 1.13Å | |
| C23 | N22 | sing | 1.33Å | 1.51Å | |
| C20 | N22 | sing | 1.32Å | 1.64Å | |
| C20 | O21 | doub | 1.21Å | 1.19Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.08Å | 1.08Å | |
| C07 | H10 | sing | 1.08Å | 1.08Å | |
| C08 | H11 | sing | 1.08Å | 1.08Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| N22 | H19 | sing | 0.97Å | 1.00Å | |
| O26 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | C02 | C03 | 107.4° | 109.5° |
| O26 | C02 | C01 | 107.5° | 109.5° |
| O26 | C02 | H8 | 110.7° | 109.5° |
| C02 | O26 | H20 | 109.5° | 114.0° |
| C03 | C02 | C01 | 112.7° | 109.5° |
| C02 | C03 | C08 | 120.8° | 120.4° |
| C02 | C03 | C04 | 119.5° | 120.5° |
| C03 | C02 | H8 | 109.0° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.4° |
| C01 | C02 | H8 | 109.5° | 109.4° |
| C03 | C08 | C07 | 118.5° | 118.4° |
| C08 | C03 | C04 | 119.7° | 119.1° |
| C03 | C08 | H11 | 120.8° | 120.8° |
| C08 | C07 | C06 | 118.4° | 119.2° |
| C08 | C07 | H10 | 120.8° | 120.4° |
| C07 | C08 | H11 | 120.7° | 120.8° |
| C03 | C04 | N05 | 120.2° | 120.8° |
| C03 | C04 | H9 | 119.9° | 119.6° |
| C07 | C06 | N05 | 121.6° | 120.8° |
| C07 | C06 | C09 | 119.5° | 119.6° |
| C06 | C07 | H10 | 120.8° | 120.4° |
| C04 | N05 | C06 | 121.6° | 121.7° |
| N05 | C04 | H9 | 119.9° | 119.6° |
| N05 | C06 | C09 | 118.9° | 119.6° |
| C06 | C09 | C10 | 111.2° | 109.5° |
| C06 | C09 | H12 | 109.0° | 109.5° |
| C06 | C09 | H13 | 109.0° | 109.5° |
| C09 | C10 | O11 | 106.6° | 109.5° |
| C09 | C10 | H1 | 110.2° | 109.4° |
| C09 | C10 | H2 | 110.2° | 109.4° |
| C10 | C09 | H12 | 109.0° | 109.5° |
| C10 | C09 | H13 | 109.0° | 109.5° |
| C10 | O11 | C12 | 114.5° | 117.0° |
| O11 | C10 | H1 | 110.2° | 109.5° |
| O11 | C10 | H2 | 110.2° | 109.5° |
| O11 | C12 | C13 | 119.0° | 120.1° |
| O11 | C12 | C17 | 120.4° | 120.0° |
| C13 | C12 | C17 | 120.6° | 119.9° |
| C12 | C13 | C14 | 119.7° | 119.9° |
| C12 | C13 | H3 | 120.2° | 120.1° |
| C12 | C17 | C16 | 119.8° | 119.9° |
| C12 | C17 | H4 | 120.1° | 120.1° |
| C13 | C14 | C15 | 119.9° | 120.1° |
| C14 | C13 | H3 | 120.2° | 120.0° |
| C13 | C14 | H14 | 120.1° | 120.0° |
| C17 | C16 | C15 | 119.6° | 120.0° |
| C16 | C17 | H4 | 120.1° | 120.0° |
| C17 | C16 | H15 | 120.2° | 120.0° |
| C14 | C15 | C16 | 120.4° | 120.1° |
| C14 | C15 | C18 | 119.7° | 120.0° |
| C15 | C14 | H14 | 120.0° | 120.0° |
| C16 | C15 | C18 | 120.0° | 119.9° |
| C15 | C16 | H15 | 120.2° | 120.0° |
| C15 | C18 | C19 | 108.9° | 109.5° |
| C15 | C18 | H16 | 109.6° | 109.5° |
| C15 | C18 | H17 | 109.6° | 109.4° |
| C19 | S25 | C23 | 105.6° | 94.2° |
| S25 | C19 | C18 | 110.7° | 110.7° |
| S25 | C19 | C20 | 107.2° | 103.0° |
| S25 | C19 | H18 | 109.1° | 110.8° |
| S25 | C23 | O24 | 126.3° | 126.1° |
| S25 | C23 | N22 | 107.5° | 107.7° |
| C18 | C19 | C20 | 109.2° | 110.7° |
| C19 | C18 | H16 | 109.6° | 109.5° |
| C19 | C18 | H17 | 109.6° | 109.5° |
| C18 | C19 | H18 | 110.7° | 110.6° |
| C19 | C20 | N22 | 109.0° | 113.8° |
| C19 | C20 | O21 | 125.5° | 123.1° |
| C20 | C19 | H18 | 109.9° | 110.7° |
| O24 | C23 | N22 | 126.3° | 126.2° |
| C23 | N22 | C20 | 109.0° | 121.3° |
| C23 | N22 | H19 | 125.5° | 119.4° |
| N22 | C20 | O21 | 125.5° | 123.1° |
| C20 | N22 | H19 | 125.5° | 119.4° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.4° | 109.5° |
| H5 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H12 | C09 | H13 | 109.5° | 109.4° |
| H16 | C18 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | C02 | C03 | C01 | 118.2° | 120.0° |
| O26 | C02 | C03 | H8 | 120.0° | 120.0° |
| O26 | C02 | C01 | H8 | 120.3° | 120.0° |
| O26 | C02 | C03 | C08 | 111.5° | 144.7° |
| O26 | C02 | C03 | C04 | 68.5° | 35.0° |
| O26 | C02 | C01 | H5 | 180.0° | 180.0° |
| O26 | C02 | C01 | H6 | 60.0° | 59.9° |
| O26 | C02 | C01 | H7 | 60.0° | 60.0° |
| C03 | C02 | C01 | H8 | 121.5° | 120.0° |
| C02 | C03 | C08 | C04 | 180.0° | 179.7° |
| C02 | C03 | C08 | C07 | 180.0° | 180.0° |
| C02 | C03 | C04 | N05 | 179.9° | 180.0° |
| C03 | C02 | C01 | H5 | 61.9° | 60.0° |
| C03 | C02 | C01 | H6 | 178.1° | 179.9° |
| C03 | C02 | C01 | H7 | 58.1° | 60.0° |
| C02 | C03 | C04 | H9 | 0.1° | 0.0° |
| C02 | C03 | C08 | H11 | 0.0° | 0.0° |
| C03 | C02 | O26 | H20 | 180.0° | 180.0° |
| C01 | C02 | C03 | C08 | 130.3° | 95.3° |
| C01 | C02 | C03 | C04 | 49.7° | 85.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C01 | C02 | O26 | H20 | 58.5° | 60.0° |
| C03 | C08 | C07 | H11 | 180.0° | 180.0° |
| C03 | C08 | C07 | C06 | 0.1° | 0.0° |
| C08 | C03 | C04 | N05 | 0.1° | 0.2° |
| C08 | C03 | C02 | H8 | 8.4° | 24.7° |
| C08 | C03 | C04 | H9 | 179.9° | 179.8° |
| C03 | C08 | C07 | H10 | 179.9° | 179.8° |
| C07 | C08 | C03 | C04 | 0.0° | 0.3° |
| C08 | C07 | C06 | H10 | 180.0° | 179.8° |
| C08 | C07 | C06 | N05 | 0.2° | 0.3° |
| C08 | C07 | C06 | C09 | 179.9° | 180.0° |
| C03 | C04 | N05 | H9 | 180.0° | 180.0° |
| C03 | C04 | N05 | C06 | 0.0° | 0.0° |
| C04 | C03 | C02 | H8 | 171.6° | 155.0° |
| C04 | C03 | C08 | H11 | 180.0° | 179.8° |
| C07 | C06 | N05 | C04 | 0.1° | 0.3° |
| C07 | C06 | N05 | C09 | 180.0° | 179.7° |
| C07 | C06 | C09 | C10 | 109.2° | 125.3° |
| C06 | C07 | C08 | H11 | 179.9° | 180.0° |
| C07 | C06 | C09 | H12 | 130.6° | 5.2° |
| C07 | C06 | C09 | H13 | 11.0° | 114.7° |
| C04 | N05 | C06 | C09 | 179.9° | 180.0° |
| N05 | C06 | C09 | C10 | 70.8° | 55.0° |
| C06 | N05 | C04 | H9 | 180.0° | 180.0° |
| N05 | C06 | C07 | H10 | 179.8° | 180.0° |
| N05 | C06 | C09 | H12 | 49.5° | 175.1° |
| N05 | C06 | C09 | H13 | 169.0° | 65.0° |
| C06 | C09 | C10 | H12 | 120.2° | 120.0° |
| C06 | C09 | C10 | H13 | 120.2° | 120.0° |
| C06 | C09 | C10 | O11 | 72.8° | 180.0° |
| C06 | C09 | C10 | H1 | 46.8° | 60.0° |
| C06 | C09 | C10 | H2 | 167.7° | 60.0° |
| C09 | C06 | C07 | H10 | 0.1° | 0.2° |
| C06 | C09 | H12 | H13 | 119.2° | 120.0° |
| C09 | C10 | O11 | H1 | 119.5° | 120.0° |
| C09 | C10 | O11 | H2 | 119.6° | 120.0° |
| C09 | C10 | O11 | C12 | 169.8° | 180.0° |
| C09 | C10 | H1 | H2 | 121.4° | 119.9° |
| C10 | C09 | H12 | H13 | 119.2° | 120.0° |
| C10 | O11 | C12 | C13 | 179.2° | 180.0° |
| C10 | O11 | C12 | C17 | 0.8° | 0.0° |
| O11 | C10 | H1 | H2 | 121.3° | 120.0° |
| O11 | C10 | C09 | H12 | 167.0° | 60.0° |
| O11 | C10 | C09 | H13 | 47.5° | 60.0° |
| O11 | C12 | C13 | C17 | 179.9° | 180.0° |
| O11 | C12 | C13 | C14 | 179.9° | 179.9° |
| O11 | C12 | C17 | C16 | 180.0° | 179.5° |
| C12 | O11 | C10 | H1 | 50.3° | 60.0° |
| C12 | O11 | C10 | H2 | 70.6° | 60.1° |
| O11 | C12 | C13 | H3 | 0.1° | 0.3° |
| O11 | C12 | C17 | H4 | 0.0° | 0.3° |
| C12 | C13 | C14 | H3 | 180.0° | 179.7° |
| C13 | C12 | C17 | C16 | 0.0° | 0.6° |
| C12 | C13 | C14 | C15 | 0.3° | 0.3° |
| C13 | C12 | C17 | H4 | 179.9° | 179.7° |
| C12 | C13 | C14 | H14 | 179.8° | 179.7° |
| C17 | C12 | C13 | C14 | 0.2° | 0.0° |
| C12 | C17 | C16 | H4 | 180.0° | 179.1° |
| C12 | C17 | C16 | C15 | 0.1° | 0.9° |
| C17 | C12 | C13 | H3 | 179.8° | 179.7° |
| C12 | C17 | C16 | H15 | 179.9° | 179.2° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C13 | C14 | C15 | C18 | 179.6° | 180.0° |
| C17 | C16 | C15 | C14 | 0.0° | 0.5° |
| C17 | C16 | C15 | H15 | 180.0° | 180.0° |
| C17 | C16 | C15 | C18 | 179.8° | 179.4° |
| C14 | C15 | C16 | C18 | 179.8° | 180.0° |
| C14 | C15 | C18 | C19 | 96.1° | 90.0° |
| C15 | C14 | C13 | H3 | 179.7° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.5° |
| C14 | C15 | C18 | H16 | 144.0° | 150.0° |
| C14 | C15 | C18 | H17 | 23.9° | 30.0° |
| C16 | C15 | C18 | C19 | 83.7° | 90.0° |
| C15 | C16 | C17 | H4 | 179.9° | 180.0° |
| C16 | C15 | C14 | H14 | 179.9° | 180.0° |
| C16 | C15 | C18 | H16 | 36.2° | 30.0° |
| C16 | C15 | C18 | H17 | 156.3° | 149.9° |
| C15 | C18 | C19 | S25 | 72.4° | 71.4° |
| C15 | C18 | C19 | H16 | 119.9° | 120.0° |
| C15 | C18 | C19 | H17 | 119.9° | 120.0° |
| C15 | C18 | C19 | C20 | 169.8° | 175.0° |
| C18 | C15 | C14 | H14 | 0.3° | 0.0° |
| C18 | C15 | C16 | H15 | 0.2° | 0.5° |
| C15 | C18 | H16 | H17 | 120.2° | 119.9° |
| C15 | C18 | C19 | H18 | 48.7° | 51.9° |
| S25 | C19 | C18 | C20 | 117.7° | 113.6° |
| S25 | C19 | C18 | H18 | 121.2° | 123.3° |
| S25 | C19 | C20 | H18 | 118.5° | 118.5° |
| C19 | S25 | C23 | O24 | 167.1° | 179.9° |
| C19 | S25 | C23 | N22 | 12.6° | 0.3° |
| S25 | C19 | C20 | N22 | 8.3° | 0.1° |
| S25 | C19 | C20 | O21 | 171.9° | 179.8° |
| S25 | C19 | C18 | H16 | 167.6° | 168.6° |
| S25 | C19 | C18 | H17 | 47.5° | 48.6° |
| C23 | S25 | C19 | C18 | 131.4° | 118.2° |
| C23 | S25 | C19 | C20 | 12.5° | 0.2° |
| S25 | C23 | O24 | N22 | 179.6° | 179.5° |
| S25 | C23 | N22 | C20 | 7.7° | 0.4° |
| C23 | S25 | C19 | H18 | 106.5° | 118.6° |
| S25 | C23 | N22 | H19 | 172.2° | 179.6° |
| C18 | C19 | C20 | H18 | 121.6° | 123.1° |
| C18 | C19 | C20 | N22 | 128.2° | 118.4° |
| C18 | C19 | C20 | O21 | 52.0° | 61.8° |
| C19 | C18 | H16 | H17 | 120.3° | 120.1° |
| C19 | C20 | N22 | C23 | 0.1° | 0.2° |
| C19 | C20 | N22 | O21 | 179.8° | 179.8° |
| C20 | C19 | C18 | H16 | 49.9° | 55.0° |
| C20 | C19 | C18 | H17 | 70.3° | 65.1° |
| C19 | C20 | N22 | H19 | 179.9° | 179.8° |
| O24 | C23 | N22 | C20 | 172.0° | 180.0° |
| O24 | C23 | N22 | H19 | 8.1° | 0.0° |
| C23 | N22 | C20 | H19 | 180.0° | 180.0° |
| C23 | N22 | C20 | O21 | 179.9° | 180.0° |
| N22 | C20 | C19 | H18 | 110.2° | 118.6° |
| O21 | C20 | C19 | H18 | 69.6° | 61.3° |
| O21 | C20 | N22 | H19 | 0.1° | 0.1° |
| H1 | C10 | C09 | H12 | 73.5° | 60.1° |
| H1 | C10 | C09 | H13 | 167.0° | 180.0° |
| H2 | C10 | C09 | H12 | 47.5° | 180.0° |
| H2 | C10 | C09 | H13 | 72.0° | 60.0° |
| H3 | C13 | C14 | H14 | 0.2° | 0.0° |
| H4 | C17 | C16 | H15 | 0.1° | 0.0° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H5 | C01 | C02 | H8 | 59.7° | 60.0° |
| H6 | C01 | C02 | H8 | 60.3° | 60.0° |
| H7 | C01 | C02 | H8 | 179.7° | 180.0° |
| H8 | C02 | O26 | H20 | 61.1° | 60.0° |
| H10 | C07 | C08 | H11 | 0.1° | 0.2° |
| H16 | C18 | C19 | H18 | 71.2° | 68.1° |
| H17 | C18 | C19 | H18 | 168.6° | 171.9° |
