G3B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | S24 | doub | 1.42Å | 1.50Å | |
| S24 | C18 | sing | 1.81Å | 1.80Å | |
| S24 | C14 | sing | 1.76Å | 1.80Å | |
| C14 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.48Å | 1.48Å | Aromatic |
| C12 | C9 | sing | 1.47Å | 1.49Å | Aromatic |
| C12 | C8 | doub | 1.35Å | 1.40Å | Aromatic |
| C9 | C13 | doub | 1.41Å | 1.45Å | Aromatic |
| C9 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | O22 | sing | 1.35Å | 1.39Å | Aromatic |
| C13 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| O22 | C8 | sing | 1.34Å | 1.47Å | Aromatic |
| C4 | C1 | doub | 1.36Å | 1.39Å | Aromatic |
| C7 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C15 | sing | 1.48Å | 1.48Å | Aromatic |
| C15 | O23 | sing | 1.35Å | 1.36Å | Aromatic |
| C15 | N19 | doub | 1.31Å | 1.35Å | Aromatic |
| O23 | C16 | sing | 1.34Å | 1.36Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C16 | N20 | doub | 1.30Å | 1.34Å | Aromatic |
| N20 | N19 | sing | 1.29Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | S24 | C18 | 111.0° | 109.5° |
| O21 | S24 | C14 | 106.2° | 103.0° |
| C18 | S24 | C14 | 111.4° | 103.0° |
| S24 | C18 | H18 | 109.5° | 109.4° |
| S24 | C18 | H18A | 109.5° | 109.5° |
| S24 | C18 | H18B | 109.4° | 109.5° |
| S24 | C14 | C5 | 119.3° | 119.8° |
| S24 | C14 | C6 | 120.1° | 119.9° |
| C5 | C14 | C6 | 120.7° | 120.3° |
| C14 | C5 | C2 | 120.1° | 120.1° |
| C14 | C5 | H5 | 119.9° | 119.9° |
| C14 | C6 | C3 | 119.3° | 120.1° |
| C14 | C6 | H6 | 120.3° | 119.9° |
| C5 | C2 | C10 | 118.5° | 119.9° |
| C2 | C5 | H5 | 120.0° | 119.9° |
| C5 | C2 | H2 | 120.7° | 120.1° |
| C6 | C3 | C10 | 119.9° | 119.9° |
| C3 | C6 | H6 | 120.3° | 120.0° |
| C6 | C3 | H3 | 120.0° | 120.1° |
| C3 | C10 | C2 | 121.4° | 119.7° |
| C3 | C10 | C12 | 118.6° | 120.1° |
| C10 | C3 | H3 | 120.1° | 120.0° |
| C2 | C10 | C12 | 119.9° | 120.1° |
| C10 | C2 | H2 | 120.8° | 120.0° |
| C10 | C12 | C9 | 127.6° | 127.1° |
| C10 | C12 | C8 | 123.1° | 127.1° |
| C9 | C12 | C8 | 109.3° | 105.9° |
| C12 | C9 | C13 | 104.7° | 105.5° |
| C12 | C9 | C7 | 134.6° | 134.2° |
| C12 | C8 | O22 | 107.4° | 110.0° |
| C12 | C8 | H8 | 126.3° | 125.0° |
| C13 | C9 | C7 | 120.7° | 120.3° |
| C9 | C13 | O22 | 109.7° | 107.5° |
| C9 | C13 | C4 | 122.3° | 119.5° |
| C9 | C7 | C11 | 116.5° | 119.4° |
| C9 | C7 | H7 | 121.8° | 120.3° |
| O22 | C13 | C4 | 127.9° | 133.0° |
| C13 | O22 | C8 | 108.8° | 111.2° |
| C13 | C4 | C1 | 115.5° | 120.3° |
| C13 | C4 | H4 | 122.3° | 119.9° |
| O22 | C8 | H8 | 126.3° | 125.0° |
| C4 | C1 | C11 | 123.1° | 120.7° |
| C1 | C4 | H4 | 122.2° | 119.9° |
| C4 | C1 | H1 | 118.4° | 119.7° |
| C7 | C11 | C1 | 121.9° | 119.9° |
| C7 | C11 | C15 | 119.2° | 120.1° |
| C11 | C7 | H7 | 121.8° | 120.3° |
| C1 | C11 | C15 | 118.8° | 120.1° |
| C11 | C1 | H1 | 118.5° | 119.6° |
| C11 | C15 | O23 | 126.4° | 126.4° |
| C11 | C15 | N19 | 124.6° | 126.4° |
| O23 | C15 | N19 | 108.9° | 107.2° |
| C15 | O23 | C16 | 105.9° | 106.4° |
| C15 | N19 | N20 | 108.4° | 109.2° |
| O23 | C16 | C17 | 115.6° | 126.2° |
| O23 | C16 | N20 | 111.6° | 107.7° |
| C17 | C16 | N20 | 132.8° | 126.2° |
| C16 | C17 | H17 | 109.5° | 109.5° |
| C16 | C17 | H17A | 109.5° | 109.5° |
| C16 | C17 | H17B | 109.5° | 109.5° |
| C16 | N20 | N19 | 105.1° | 109.5° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.4° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H17 | C17 | H17B | 109.4° | 109.4° |
| H17A | C17 | H17B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | S24 | C18 | C14 | 118.2° | 109.1° |
| O21 | S24 | C14 | C5 | 20.4° | 23.8° |
| O21 | S24 | C14 | C6 | 159.6° | 155.8° |
| O21 | S24 | C18 | H18 | 67.8° | 49.0° |
| O21 | S24 | C18 | H18A | 172.2° | 169.1° |
| O21 | S24 | C18 | H18B | 52.2° | 71.0° |
| C18 | S24 | C14 | C5 | 100.6° | 90.0° |
| C18 | S24 | C14 | C6 | 79.4° | 90.3° |
| S24 | C18 | H18 | H18A | 120.0° | 120.0° |
| S24 | C18 | H18 | H18B | 120.0° | 120.0° |
| S24 | C18 | H18A | H18B | 120.0° | 120.0° |
| S24 | C14 | C5 | C6 | 180.0° | 179.7° |
| S24 | C14 | C5 | C2 | 179.7° | 180.0° |
| S24 | C14 | C6 | C3 | 179.9° | 180.0° |
| C14 | S24 | C18 | H18 | 50.4° | 60.0° |
| C14 | S24 | C18 | H18A | 69.6° | 60.0° |
| C14 | S24 | C18 | H18B | 170.4° | 179.9° |
| S24 | C14 | C5 | H5 | 0.3° | 0.1° |
| S24 | C14 | C6 | H6 | 0.1° | 0.1° |
| C14 | C5 | C2 | H5 | 180.0° | 180.0° |
| C5 | C14 | C6 | C3 | 0.1° | 0.3° |
| C14 | C5 | C2 | C10 | 0.7° | 0.0° |
| C5 | C14 | C6 | H6 | 179.9° | 179.8° |
| C14 | C5 | C2 | H2 | 179.3° | 179.9° |
| C6 | C14 | C5 | C2 | 0.3° | 0.3° |
| C14 | C6 | C3 | H6 | 180.0° | 180.0° |
| C14 | C6 | C3 | C10 | 0.2° | 0.0° |
| C6 | C14 | C5 | H5 | 179.7° | 179.8° |
| C14 | C6 | C3 | H3 | 179.8° | 180.0° |
| C5 | C2 | C10 | C3 | 0.8° | 0.2° |
| C5 | C2 | C10 | H2 | 180.0° | 180.0° |
| C5 | C2 | C10 | C12 | 179.3° | 180.0° |
| C6 | C3 | C10 | H3 | 180.0° | 180.0° |
| C6 | C3 | C10 | C2 | 0.6° | 0.2° |
| C6 | C3 | C10 | C12 | 179.1° | 180.0° |
| C3 | C10 | C2 | C12 | 178.4° | 179.7° |
| C3 | C10 | C12 | C9 | 54.0° | 130.0° |
| C3 | C10 | C12 | C8 | 123.7° | 50.3° |
| C10 | C3 | C6 | H6 | 179.8° | 180.0° |
| C3 | C10 | C2 | H2 | 179.2° | 179.8° |
| C2 | C10 | C12 | C9 | 127.5° | 50.3° |
| C2 | C10 | C12 | C8 | 54.8° | 129.4° |
| C10 | C2 | C5 | H5 | 179.3° | 180.0° |
| C2 | C10 | C3 | H3 | 179.4° | 179.7° |
| C10 | C12 | C9 | C8 | 177.9° | 179.8° |
| C10 | C12 | C9 | C13 | 178.7° | 180.0° |
| C10 | C12 | C9 | C7 | 1.7° | 0.1° |
| C10 | C12 | C8 | O22 | 179.0° | 179.8° |
| C12 | C10 | C3 | H3 | 0.9° | 0.0° |
| C12 | C10 | C2 | H2 | 0.7° | 0.1° |
| C10 | C12 | C8 | H8 | 1.0° | 0.1° |
| C12 | C9 | C13 | C7 | 179.6° | 179.9° |
| C12 | C9 | C13 | O22 | 0.3° | 0.1° |
| C12 | C9 | C13 | C4 | 179.6° | 180.0° |
| C9 | C12 | C8 | O22 | 0.9° | 0.4° |
| C12 | C9 | C7 | C11 | 180.0° | 179.9° |
| C9 | C12 | C8 | H8 | 179.0° | 179.7° |
| C12 | C9 | C7 | H7 | 0.0° | 0.1° |
| C8 | C12 | C9 | C13 | 0.8° | 0.2° |
| C8 | C12 | C9 | C7 | 179.7° | 179.7° |
| C12 | C8 | O22 | C13 | 0.7° | 0.5° |
| C12 | C8 | O22 | H8 | 180.0° | 179.9° |
| C9 | C13 | O22 | C4 | 179.9° | 180.0° |
| C9 | C13 | O22 | C8 | 0.2° | 0.3° |
| C9 | C13 | C4 | C1 | 0.2° | 0.1° |
| C13 | C9 | C7 | C11 | 0.5° | 0.0° |
| C9 | C13 | C4 | H4 | 179.8° | 180.0° |
| C13 | C9 | C7 | H7 | 179.5° | 180.0° |
| C7 | C9 | C13 | O22 | 180.0° | 180.0° |
| C7 | C9 | C13 | C4 | 0.1° | 0.0° |
| C9 | C7 | C11 | H7 | 180.0° | 180.0° |
| C9 | C7 | C11 | C1 | 1.3° | 0.0° |
| C9 | C7 | C11 | C15 | 178.3° | 180.0° |
| O22 | C13 | C4 | C1 | 179.7° | 180.0° |
| C13 | O22 | C8 | H8 | 179.2° | 179.7° |
| O22 | C13 | C4 | H4 | 0.3° | 0.1° |
| C4 | C13 | O22 | C8 | 179.9° | 179.7° |
| C13 | C4 | C1 | H4 | 180.0° | 179.9° |
| C13 | C4 | C1 | C11 | 1.0° | 0.1° |
| C13 | C4 | C1 | H1 | 179.0° | 180.0° |
| C4 | C1 | C11 | C7 | 1.7° | 0.0° |
| C4 | C1 | C11 | H1 | 180.0° | 179.9° |
| C4 | C1 | C11 | C15 | 178.7° | 180.0° |
| C7 | C11 | C1 | C15 | 177.0° | 180.0° |
| C7 | C11 | C15 | O23 | 13.6° | 180.0° |
| C7 | C11 | C15 | N19 | 163.2° | 0.3° |
| C7 | C11 | C1 | H1 | 178.3° | 180.0° |
| C1 | C11 | C15 | O23 | 169.3° | 0.0° |
| C1 | C11 | C15 | N19 | 13.9° | 179.7° |
| C11 | C1 | C4 | H4 | 179.0° | 180.0° |
| C1 | C11 | C7 | H7 | 178.6° | 180.0° |
| C11 | C15 | O23 | N19 | 177.2° | 179.7° |
| C11 | C15 | O23 | C16 | 177.6° | 180.0° |
| C11 | C15 | N19 | N20 | 177.8° | 179.8° |
| C15 | C11 | C7 | H7 | 1.6° | 0.0° |
| C15 | C11 | C1 | H1 | 1.3° | 0.1° |
| C15 | O23 | C16 | C17 | 179.5° | 180.0° |
| C15 | O23 | C16 | N20 | 0.0° | 0.0° |
| O23 | C15 | N19 | N20 | 0.6° | 0.5° |
| N19 | C15 | O23 | C16 | 0.4° | 0.3° |
| C15 | N19 | N20 | C16 | 0.5° | 0.5° |
| O23 | C16 | C17 | N20 | 179.3° | 180.0° |
| O23 | C16 | N20 | N19 | 0.3° | 0.3° |
| O23 | C16 | C17 | H17 | 127.3° | 90.0° |
| O23 | C16 | C17 | H17A | 112.6° | 150.0° |
| O23 | C16 | C17 | H17B | 7.4° | 30.0° |
| C17 | C16 | N20 | N19 | 179.0° | 179.7° |
| C16 | C17 | H17 | H17A | 120.0° | 120.0° |
| C16 | C17 | H17 | H17B | 120.0° | 120.0° |
| C16 | C17 | H17A | H17B | 120.0° | 120.0° |
| N20 | C16 | C17 | H17 | 52.0° | 90.0° |
| N20 | C16 | C17 | H17A | 68.0° | 30.0° |
| N20 | C16 | C17 | H17B | 172.0° | 150.0° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| H5 | C5 | C2 | H2 | 0.7° | 0.0° |
| H6 | C6 | C3 | H3 | 0.2° | 0.1° |
| H4 | C4 | C1 | H1 | 1.0° | 0.1° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
