OFG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.43Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.43Å | Aromatic |
| C16 | C10 | doub | 1.38Å | 1.44Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | N25 | doub | 1.31Å | 1.33Å | Aromatic |
| C27 | N28 | doub | 1.31Å | 1.33Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | N3 | sing | 1.32Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.36Å | 1.43Å | Aromatic |
| C19 | N20 | sing | 1.35Å | 1.33Å | Aromatic |
| C5 | C18 | sing | 1.49Å | 1.48Å | |
| C18 | C22 | sing | 1.41Å | 1.41Å | Aromatic |
| C10 | C12 | sing | 1.39Å | 1.45Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.54Å | |
| C12 | N24 | sing | 1.40Å | 1.43Å | |
| C1 | C2 | sing | 1.40Å | 1.42Å | Aromatic |
| C1 | O7 | sing | 1.36Å | 1.39Å | |
| C15 | F17 | sing | 1.35Å | 1.34Å | |
| C22 | C23 | sing | 1.51Å | 1.49Å | |
| C22 | N21 | doub | 1.31Å | 1.37Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.38Å | Aromatic |
| C2 | N8 | sing | 1.39Å | 1.41Å | |
| C11 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | O7 | sing | 1.43Å | 1.46Å | |
| N25 | N24 | sing | 1.29Å | 1.36Å | Aromatic |
| N28 | N24 | sing | 1.29Å | 1.35Å | Aromatic |
| N20 | N21 | sing | 1.40Å | 1.33Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| N8 | H81N | sing | 0.97Å | 1.00Å | |
| N8 | H82N | sing | 0.97Å | 1.00Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 120.5° | 119.9° |
| C13 | C14 | C15 | 119.6° | 120.1° |
| C14 | C13 | H13 | 119.8° | 120.0° |
| C13 | C14 | H14 | 120.2° | 120.0° |
| C13 | C12 | C10 | 120.4° | 119.9° |
| C13 | C12 | N24 | 116.5° | 120.0° |
| C12 | C13 | H13 | 119.8° | 120.0° |
| C14 | C15 | C16 | 121.0° | 120.1° |
| C14 | C15 | F17 | 119.4° | 120.0° |
| C15 | C14 | H14 | 120.2° | 119.9° |
| C5 | C6 | C1 | 122.6° | 118.4° |
| C6 | C5 | C4 | 115.2° | 119.2° |
| C6 | C5 | C18 | 120.5° | 120.4° |
| C5 | C6 | H6 | 118.7° | 120.8° |
| C6 | C1 | C2 | 116.9° | 119.1° |
| C6 | C1 | O7 | 127.6° | 120.5° |
| C1 | C6 | H6 | 118.7° | 120.8° |
| C10 | C16 | C15 | 121.1° | 120.0° |
| C16 | C10 | C12 | 117.5° | 119.9° |
| C16 | C10 | C9 | 118.4° | 120.0° |
| C10 | C16 | H16 | 119.5° | 120.0° |
| C16 | C15 | F17 | 119.6° | 119.9° |
| C15 | C16 | H16 | 119.5° | 120.0° |
| C27 | C26 | N25 | 109.9° | 105.9° |
| C26 | C27 | N28 | 109.9° | 105.9° |
| C27 | C26 | H26 | 125.0° | 127.1° |
| C26 | C27 | H27 | 125.1° | 127.0° |
| C26 | N25 | N24 | 102.2° | 108.7° |
| N25 | C26 | H26 | 125.0° | 127.0° |
| C27 | N28 | N24 | 102.3° | 108.7° |
| N28 | C27 | H27 | 125.0° | 127.1° |
| C5 | C4 | N3 | 124.3° | 120.8° |
| C4 | C5 | C18 | 124.4° | 120.4° |
| C5 | C4 | H4 | 117.9° | 119.6° |
| C4 | N3 | C2 | 119.3° | 121.8° |
| N3 | C4 | H4 | 117.8° | 119.6° |
| C18 | C19 | N20 | 113.8° | 107.6° |
| C19 | C18 | C5 | 127.8° | 126.2° |
| C19 | C18 | C22 | 102.7° | 107.6° |
| C18 | C19 | H19 | 123.1° | 126.2° |
| C19 | N20 | N21 | 103.0° | 108.2° |
| N20 | C19 | H19 | 123.1° | 126.2° |
| C19 | N20 | H20 | 128.5° | 125.9° |
| C5 | C18 | C22 | 129.4° | 126.2° |
| C18 | C22 | C23 | 135.4° | 126.0° |
| C18 | C22 | N21 | 105.5° | 108.1° |
| C12 | C10 | C9 | 124.1° | 120.0° |
| C10 | C12 | N24 | 123.2° | 120.0° |
| C10 | C9 | C11 | 111.3° | 109.5° |
| C10 | C9 | O7 | 112.3° | 109.5° |
| C10 | C9 | H9 | 108.6° | 109.5° |
| C12 | N24 | N25 | 121.5° | 124.6° |
| C12 | N24 | N28 | 122.8° | 124.6° |
| C2 | C1 | O7 | 115.5° | 120.4° |
| C1 | C2 | N3 | 121.8° | 120.8° |
| C1 | C2 | N8 | 119.9° | 119.6° |
| C1 | O7 | C9 | 122.9° | 117.0° |
| C23 | C22 | N21 | 119.1° | 125.9° |
| C22 | C23 | H231 | 109.5° | 109.4° |
| C22 | C23 | H232 | 109.4° | 109.5° |
| C22 | C23 | H233 | 109.5° | 109.5° |
| C22 | N21 | N20 | 114.9° | 108.5° |
| N3 | C2 | N8 | 118.4° | 119.6° |
| C2 | N8 | H81N | 109.5° | 120.0° |
| C2 | N8 | H82N | 109.4° | 120.0° |
| C11 | C9 | O7 | 106.4° | 109.5° |
| C11 | C9 | H9 | 108.7° | 109.5° |
| C9 | C11 | H111 | 109.5° | 109.5° |
| C9 | C11 | H112 | 109.5° | 109.5° |
| C9 | C11 | H113 | 109.5° | 109.5° |
| O7 | C9 | H9 | 109.6° | 109.5° |
| N25 | N24 | N28 | 115.7° | 110.8° |
| N21 | N20 | H20 | 128.5° | 125.9° |
| H231 | C23 | H232 | 109.4° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.5° |
| H81N | N8 | H82N | 109.5° | 120.0° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H111 | C11 | H113 | 109.4° | 109.4° |
| H112 | C11 | H113 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H13 | 180.0° | 179.8° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C14 | C13 | C12 | C10 | 0.0° | 0.0° |
| C14 | C13 | C12 | N24 | 179.9° | 180.0° |
| C13 | C14 | C15 | F17 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.0° |
| C13 | C12 | C10 | C16 | 0.1° | 0.1° |
| C13 | C12 | C10 | N24 | 179.9° | 180.0° |
| C13 | C12 | C10 | C9 | 179.6° | 180.0° |
| C13 | C12 | N24 | N25 | 61.5° | 130.6° |
| C13 | C12 | N24 | N28 | 118.3° | 49.4° |
| C12 | C13 | C14 | H14 | 179.9° | 180.0° |
| C14 | C15 | C16 | C10 | 0.1° | 0.1° |
| C14 | C15 | C16 | F17 | 180.0° | 180.0° |
| C15 | C14 | C13 | H13 | 180.0° | 179.8° |
| C14 | C15 | C16 | H16 | 179.9° | 179.9° |
| C5 | C6 | C1 | H6 | 180.0° | 179.8° |
| C6 | C5 | C4 | C18 | 179.6° | 180.0° |
| C6 | C5 | C4 | N3 | 0.0° | 0.0° |
| C6 | C5 | C18 | C19 | 30.1° | 50.0° |
| C6 | C5 | C18 | C22 | 150.2° | 130.0° |
| C5 | C6 | C1 | C2 | 0.2° | 0.0° |
| C5 | C6 | C1 | O7 | 179.8° | 180.0° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | C18 | 179.4° | 180.0° |
| C6 | C1 | C2 | O7 | 180.0° | 180.0° |
| C6 | C1 | C2 | N3 | 0.2° | 0.0° |
| C6 | C1 | C2 | N8 | 180.0° | 180.0° |
| C6 | C1 | O7 | C9 | 0.1° | 4.9° |
| C10 | C16 | C15 | H16 | 180.0° | 179.9° |
| C16 | C10 | C12 | C9 | 179.7° | 179.9° |
| C16 | C10 | C12 | N24 | 180.0° | 179.9° |
| C10 | C16 | C15 | F17 | 179.9° | 180.0° |
| C16 | C10 | C9 | C11 | 69.0° | 95.6° |
| C16 | C10 | C9 | O7 | 50.1° | 24.4° |
| C16 | C10 | C9 | H9 | 171.5° | 144.3° |
| C15 | C16 | C10 | C12 | 0.1° | 0.1° |
| C15 | C16 | C10 | C9 | 179.6° | 180.0° |
| C16 | C15 | C14 | H14 | 180.0° | 180.0° |
| C27 | C26 | N25 | H26 | 180.0° | 179.7° |
| C26 | C27 | N28 | H27 | 180.0° | 180.0° |
| C27 | C26 | N25 | N24 | 0.1° | 0.0° |
| C26 | C27 | N28 | N24 | 0.1° | 0.0° |
| N25 | C26 | C27 | N28 | 0.1° | 0.0° |
| C26 | N25 | N24 | C12 | 179.9° | 179.9° |
| C26 | N25 | N24 | N28 | 0.0° | 0.0° |
| N25 | C26 | C27 | H27 | 179.9° | 180.0° |
| C27 | N28 | N24 | C12 | 179.9° | 180.0° |
| C27 | N28 | N24 | N25 | 0.1° | 0.0° |
| N28 | C27 | C26 | H26 | 179.9° | 179.7° |
| C5 | C4 | N3 | H4 | 180.0° | 179.9° |
| C4 | C5 | C18 | C19 | 149.5° | 130.0° |
| C4 | C5 | C18 | C22 | 30.2° | 50.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.1° |
| C4 | C5 | C6 | H6 | 179.9° | 179.8° |
| N3 | C4 | C5 | C18 | 179.6° | 179.9° |
| C4 | N3 | C2 | C1 | 0.0° | 0.1° |
| C4 | N3 | C2 | N8 | 179.9° | 180.0° |
| C18 | C19 | N20 | H19 | 180.0° | 179.7° |
| C19 | C18 | C5 | C22 | 179.7° | 179.9° |
| C19 | C18 | C22 | C23 | 179.9° | 180.0° |
| C19 | C18 | C22 | N21 | 0.0° | 0.0° |
| C18 | C19 | N20 | N21 | 0.0° | 0.0° |
| C18 | C19 | N20 | H20 | 180.0° | 179.9° |
| N20 | C19 | C18 | C5 | 179.8° | 179.9° |
| N20 | C19 | C18 | C22 | 0.0° | 0.0° |
| C19 | N20 | N21 | C22 | 0.0° | 0.0° |
| C19 | N20 | N21 | H20 | 180.0° | 179.9° |
| C5 | C18 | C22 | C23 | 0.1° | 0.1° |
| C5 | C18 | C22 | N21 | 179.8° | 180.0° |
| C18 | C5 | C6 | H6 | 0.6° | 0.3° |
| C18 | C5 | C4 | H4 | 0.4° | 0.0° |
| C5 | C18 | C19 | H19 | 0.2° | 0.3° |
| C18 | C22 | C23 | N21 | 179.9° | 180.0° |
| C18 | C22 | N21 | N20 | 0.0° | 0.0° |
| C22 | C18 | C19 | H19 | 180.0° | 179.7° |
| C18 | C22 | C23 | H231 | 179.9° | 90.1° |
| C18 | C22 | C23 | H232 | 60.1° | 149.9° |
| C18 | C22 | C23 | H233 | 59.9° | 29.9° |
| C12 | C10 | C9 | C11 | 111.3° | 84.2° |
| C12 | C10 | C9 | O7 | 129.6° | 155.8° |
| C10 | C12 | N24 | N25 | 118.3° | 49.4° |
| C10 | C12 | N24 | N28 | 61.8° | 130.7° |
| C10 | C12 | C13 | H13 | 179.9° | 179.7° |
| C12 | C10 | C16 | H16 | 179.9° | 180.0° |
| C12 | C10 | C9 | H9 | 8.3° | 35.8° |
| C9 | C10 | C12 | N24 | 0.3° | 0.1° |
| C10 | C9 | O7 | C1 | 75.3° | 154.9° |
| C10 | C9 | C11 | O7 | 122.6° | 120.0° |
| C10 | C9 | C11 | H9 | 119.5° | 120.0° |
| C10 | C9 | O7 | H9 | 120.8° | 120.0° |
| C9 | C10 | C16 | H16 | 0.4° | 0.1° |
| C10 | C9 | C11 | H111 | 180.0° | 180.0° |
| C10 | C9 | C11 | H112 | 60.0° | 60.0° |
| C10 | C9 | C11 | H113 | 60.0° | 60.0° |
| C12 | N24 | N25 | N28 | 179.9° | 180.0° |
| N24 | C12 | C13 | H13 | 0.1° | 0.2° |
| C1 | C2 | N3 | N8 | 179.8° | 180.0° |
| C2 | C1 | O7 | C9 | 179.9° | 175.1° |
| C2 | C1 | C6 | H6 | 179.8° | 179.8° |
| C1 | C2 | N8 | H81N | 179.8° | 0.0° |
| C1 | C2 | N8 | H82N | 60.2° | 180.0° |
| O7 | C1 | C2 | N3 | 179.8° | 180.0° |
| O7 | C1 | C2 | N8 | 0.0° | 0.0° |
| C1 | O7 | C9 | C11 | 162.7° | 85.1° |
| O7 | C1 | C6 | H6 | 0.2° | 0.2° |
| C1 | O7 | C9 | H9 | 45.4° | 35.0° |
| F17 | C15 | C14 | H14 | 0.0° | 0.0° |
| F17 | C15 | C16 | H16 | 0.1° | 0.1° |
| C23 | C22 | N21 | N20 | 179.9° | 180.0° |
| C22 | C23 | H231 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H233 | 120.0° | 120.0° |
| C22 | C23 | H232 | H233 | 120.0° | 120.0° |
| C22 | N21 | N20 | H20 | 180.0° | 179.9° |
| N21 | C22 | C23 | H231 | 0.0° | 90.0° |
| N21 | C22 | C23 | H232 | 120.0° | 30.0° |
| N21 | C22 | C23 | H233 | 120.0° | 150.0° |
| C2 | N3 | C4 | H4 | 180.0° | 180.0° |
| N3 | C2 | N8 | H81N | 0.0° | 180.0° |
| N3 | C2 | N8 | H82N | 120.0° | 0.0° |
| C2 | N8 | H81N | H82N | 120.0° | 180.0° |
| C11 | C9 | O7 | H9 | 117.3° | 120.0° |
| C9 | C11 | H111 | H112 | 120.0° | 120.0° |
| C9 | C11 | H111 | H113 | 120.0° | 120.0° |
| C9 | C11 | H112 | H113 | 120.0° | 120.1° |
| O7 | C9 | C11 | H111 | 57.4° | 60.0° |
| O7 | C9 | C11 | H112 | 177.4° | 180.0° |
| O7 | C9 | C11 | H113 | 62.6° | 60.0° |
| N24 | N25 | C26 | H26 | 179.9° | 179.7° |
| N24 | N28 | C27 | H27 | 179.9° | 180.0° |
| N21 | N20 | C19 | H19 | 180.0° | 179.7° |
| H13 | C13 | C14 | H14 | 0.0° | 0.3° |
| H26 | C26 | C27 | H27 | 0.1° | 0.3° |
| H19 | C19 | N20 | H20 | 0.0° | 0.4° |
| H9 | C9 | C11 | H111 | 60.5° | 60.0° |
| H9 | C9 | C11 | H112 | 59.5° | 60.0° |
| H9 | C9 | C11 | H113 | 179.5° | 180.0° |
| H231 | C23 | H232 | H233 | 120.0° | 120.1° |
| H111 | C11 | H112 | H113 | 120.0° | 119.9° |
