O8G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C14 | sing | 1.53Å | 1.56Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C4 | C1 | sing | 1.53Å | 1.51Å | |
| C4 | N7 | sing | 1.47Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| N7 | C8 | sing | 1.47Å | 1.54Å | |
| C8 | C11 | sing | 1.53Å | 1.54Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C14 | C11 | sing | 1.53Å | 1.53Å | |
| C14 | C22 | sing | 1.51Å | 1.51Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | N7 | sing | 1.35Å | 1.36Å | |
| C16 | C18 | sing | 1.51Å | 1.55Å | |
| O17 | C16 | doub | 1.21Å | 1.24Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| N21 | C22 | doub | 1.31Å | 1.32Å | Aromatic |
| N21 | C25 | sing | 1.35Å | 1.34Å | Aromatic |
| C22 | O23 | sing | 1.34Å | 1.37Å | Aromatic |
| O23 | N24 | sing | 1.21Å | 1.38Å | Aromatic |
| C25 | N24 | doub | 1.31Å | 1.34Å | Aromatic |
| C26 | C25 | sing | 1.48Å | 1.39Å | Aromatic |
| C26 | S33 | sing | 1.76Å | 1.69Å | Aromatic |
| C27 | C26 | doub | 1.35Å | 1.33Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.35Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | C31 | doub | 1.34Å | 1.35Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | S33 | sing | 1.76Å | 1.69Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N34 | C18 | sing | 1.46Å | 1.49Å | |
| N36 | N34 | doub | 1.12Å | 1.13Å | |
| N37 | N36 | doub | 1.12Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C1 | H1 | 109.1° | 109.5° |
| C14 | C1 | H1A | 109.1° | 109.5° |
| C14 | C1 | C4 | 110.5° | 109.3° |
| C1 | C14 | C11 | 108.4° | 109.5° |
| C1 | C14 | C22 | 112.4° | 109.4° |
| C1 | C14 | H14 | 107.4° | 109.4° |
| H1 | C1 | H1A | 109.8° | 109.5° |
| H1 | C1 | C4 | 109.1° | 109.5° |
| H1A | C1 | C4 | 109.1° | 109.5° |
| C1 | C4 | N7 | 114.6° | 108.8° |
| C1 | C4 | H4 | 107.8° | 109.6° |
| C1 | C4 | H4A | 107.8° | 109.5° |
| N7 | C4 | H4 | 107.8° | 109.6° |
| N7 | C4 | H4A | 107.8° | 109.5° |
| C4 | N7 | C8 | 119.9° | 118.7° |
| C4 | N7 | C16 | 121.5° | 120.7° |
| H4 | C4 | H4A | 111.1° | 109.7° |
| N7 | C8 | C11 | 114.4° | 108.8° |
| N7 | C8 | H8 | 107.9° | 109.6° |
| N7 | C8 | H8A | 107.9° | 109.6° |
| C8 | N7 | C16 | 118.5° | 120.6° |
| C11 | C8 | H8 | 107.9° | 109.6° |
| C11 | C8 | H8A | 107.9° | 109.6° |
| C8 | C11 | H11 | 109.5° | 109.5° |
| C8 | C11 | H11A | 109.5° | 109.5° |
| C8 | C11 | C14 | 109.5° | 109.3° |
| H8 | C8 | H8A | 111.0° | 109.7° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H11 | C11 | C14 | 109.5° | 109.5° |
| H11A | C11 | C14 | 109.5° | 109.5° |
| C11 | C14 | C22 | 106.8° | 109.5° |
| C11 | C14 | H14 | 113.0° | 109.5° |
| C22 | C14 | H14 | 109.0° | 109.5° |
| C14 | C22 | N21 | 125.5° | 126.4° |
| C14 | C22 | O23 | 123.6° | 126.4° |
| N7 | C16 | C18 | 121.3° | 120.0° |
| N7 | C16 | O17 | 122.8° | 120.0° |
| C18 | C16 | O17 | 115.9° | 120.0° |
| C16 | C18 | H18 | 109.7° | 109.5° |
| C16 | C18 | H18A | 109.7° | 109.5° |
| C16 | C18 | N34 | 108.8° | 109.5° |
| H18 | C18 | H18A | 109.2° | 109.4° |
| H18 | C18 | N34 | 109.7° | 109.4° |
| H18A | C18 | N34 | 109.7° | 109.5° |
| C22 | N21 | C25 | 106.5° | 105.5° |
| N21 | C22 | O23 | 110.9° | 107.2° |
| N21 | C25 | N24 | 110.3° | 107.2° |
| N21 | C25 | C26 | 125.1° | 126.4° |
| C22 | O23 | N24 | 104.7° | 110.1° |
| O23 | N24 | C25 | 107.6° | 110.0° |
| N24 | C25 | C26 | 124.6° | 126.4° |
| C25 | C26 | S33 | 122.4° | 125.3° |
| C25 | C26 | C27 | 129.3° | 125.3° |
| S33 | C26 | C27 | 108.3° | 109.5° |
| C26 | S33 | C31 | 95.4° | 91.0° |
| C26 | C27 | C29 | 113.3° | 114.7° |
| C26 | C27 | H27 | 123.4° | 122.7° |
| C29 | C27 | H27 | 123.4° | 122.6° |
| C27 | C29 | C31 | 117.7° | 115.0° |
| C27 | C29 | H29 | 121.2° | 122.5° |
| C31 | C29 | H29 | 121.1° | 122.5° |
| C29 | C31 | S33 | 105.4° | 109.7° |
| C29 | C31 | H31 | 127.3° | 125.1° |
| S33 | C31 | H31 | 127.3° | 125.2° |
| C18 | N34 | N36 | 117.1° | 120.0° |
| N34 | N36 | N37 | 178.6° | 180.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C1 | H1 | H1A | 119.6° | 120.1° |
| C14 | C1 | H1 | C4 | 120.9° | 119.8° |
| C14 | C1 | H1A | C4 | 120.9° | 119.8° |
| C14 | C1 | C4 | N7 | 45.8° | 54.7° |
| C14 | C1 | C4 | H4 | 74.2° | 65.1° |
| C14 | C1 | C4 | H4A | 165.8° | 174.4° |
| C1 | C14 | C11 | C8 | 64.3° | 61.4° |
| C1 | C14 | C11 | H11 | 175.7° | 178.7° |
| C1 | C14 | C11 | H11A | 55.7° | 58.6° |
| C1 | C14 | C11 | C22 | 121.3° | 120.0° |
| C1 | C14 | C11 | H14 | 118.9° | 120.0° |
| C1 | C14 | C22 | H14 | 118.9° | 120.0° |
| C1 | C14 | C22 | N21 | 10.0° | 120.0° |
| C1 | C14 | C22 | O23 | 172.0° | 60.0° |
| H1 | C1 | H1A | C4 | 119.6° | 120.1° |
| H1 | C1 | C4 | N7 | 165.8° | 65.3° |
| H1 | C1 | C4 | H4 | 45.8° | 174.9° |
| H1 | C1 | C4 | H4A | 74.2° | 54.4° |
| H1 | C1 | C14 | C11 | 174.7° | 58.6° |
| H1 | C1 | C14 | C22 | 56.9° | 61.4° |
| H1 | C1 | C14 | H14 | 63.0° | 178.6° |
| H1A | C1 | C4 | N7 | 74.2° | 174.6° |
| H1A | C1 | C4 | H4 | 165.8° | 54.8° |
| H1A | C1 | C4 | H4A | 45.8° | 65.7° |
| H1A | C1 | C14 | C11 | 54.7° | 178.7° |
| H1A | C1 | C14 | C22 | 63.1° | 58.7° |
| H1A | C1 | C14 | H14 | 177.0° | 61.3° |
| C1 | C4 | N7 | H4 | 120.0° | 119.8° |
| C1 | C4 | N7 | H4A | 120.0° | 119.7° |
| C1 | C4 | H4 | H4A | 117.9° | 120.4° |
| C1 | C4 | N7 | C8 | 28.0° | 53.7° |
| C4 | C1 | C14 | C11 | 65.3° | 61.4° |
| C4 | C1 | C14 | C22 | 176.9° | 178.6° |
| C4 | C1 | C14 | H14 | 57.0° | 58.6° |
| C1 | C4 | N7 | C16 | 155.8° | 126.4° |
| N7 | C4 | H4 | H4A | 117.9° | 120.3° |
| C4 | N7 | C8 | C16 | 176.3° | 180.0° |
| C4 | N7 | C8 | C11 | 27.6° | 53.6° |
| C4 | N7 | C8 | H8 | 92.4° | 66.2° |
| C4 | N7 | C8 | H8A | 147.6° | 173.5° |
| C4 | N7 | C16 | C18 | 178.4° | 180.0° |
| C4 | N7 | C16 | O17 | 2.0° | 0.0° |
| H4 | C4 | N7 | C8 | 92.0° | 66.2° |
| H4 | C4 | N7 | C16 | 84.2° | 113.8° |
| H4A | C4 | N7 | C8 | 148.0° | 173.4° |
| H4A | C4 | N7 | C16 | 35.8° | 6.7° |
| N7 | C8 | C11 | H8 | 120.0° | 119.8° |
| N7 | C8 | C11 | H8A | 120.0° | 119.8° |
| N7 | C8 | H8 | H8A | 118.0° | 120.4° |
| N7 | C8 | C11 | H11 | 165.3° | 174.6° |
| N7 | C8 | C11 | H11A | 74.7° | 65.3° |
| N7 | C8 | C11 | C14 | 45.3° | 54.6° |
| C8 | N7 | C16 | C18 | 2.2° | 0.0° |
| C8 | N7 | C16 | O17 | 178.2° | 180.0° |
| C11 | C8 | H8 | H8A | 118.0° | 120.3° |
| C8 | C11 | H11 | H11A | 120.0° | 120.1° |
| C8 | C11 | H11 | C14 | 120.1° | 119.8° |
| C8 | C11 | H11A | C14 | 120.1° | 119.8° |
| C8 | C11 | C14 | C22 | 174.4° | 178.6° |
| C8 | C11 | C14 | H14 | 54.6° | 58.6° |
| C11 | C8 | N7 | C16 | 156.1° | 126.4° |
| H8 | C8 | C11 | H11 | 45.3° | 54.8° |
| H8 | C8 | C11 | H11A | 165.3° | 174.9° |
| H8 | C8 | C11 | C14 | 74.7° | 65.2° |
| H8 | C8 | N7 | C16 | 83.9° | 113.8° |
| H8A | C8 | C11 | H11 | 74.7° | 65.6° |
| H8A | C8 | C11 | H11A | 45.3° | 54.5° |
| H8A | C8 | C11 | C14 | 165.3° | 174.5° |
| H8A | C8 | N7 | C16 | 36.1° | 6.6° |
| H11 | C11 | H11A | C14 | 120.0° | 120.0° |
| H11 | C11 | C14 | C22 | 54.4° | 58.7° |
| H11 | C11 | C14 | H14 | 65.5° | 61.4° |
| H11A | C11 | C14 | C22 | 65.6° | 61.4° |
| H11A | C11 | C14 | H14 | 174.6° | 178.6° |
| C11 | C14 | C22 | H14 | 122.3° | 120.0° |
| C11 | C14 | C22 | N21 | 108.7° | 119.9° |
| C11 | C14 | C22 | O23 | 69.3° | 60.0° |
| C14 | C22 | N21 | O23 | 178.3° | 179.9° |
| C14 | C22 | N21 | C25 | 177.6° | 180.0° |
| C14 | C22 | O23 | N24 | 177.7° | 179.9° |
| H14 | C14 | C22 | N21 | 128.9° | 0.1° |
| H14 | C14 | C22 | O23 | 53.0° | 180.0° |
| N7 | C16 | C18 | O17 | 179.6° | 180.0° |
| N7 | C16 | C18 | H18 | 41.9° | 60.0° |
| N7 | C16 | C18 | H18A | 78.0° | 60.0° |
| N7 | C16 | C18 | N34 | 162.0° | 180.0° |
| C16 | C18 | H18 | H18A | 120.3° | 120.1° |
| C16 | C18 | H18 | N34 | 119.4° | 120.0° |
| C16 | C18 | H18A | N34 | 119.4° | 120.0° |
| C16 | C18 | N34 | N36 | 84.4° | 120.0° |
| O17 | C16 | C18 | H18 | 137.6° | 120.0° |
| O17 | C16 | C18 | H18A | 102.4° | 120.0° |
| O17 | C16 | C18 | N34 | 17.6° | 0.0° |
| H18 | C18 | H18A | N34 | 120.3° | 119.9° |
| H18 | C18 | N34 | N36 | 155.6° | 0.1° |
| H18A | C18 | N34 | N36 | 35.5° | 120.0° |
| N21 | C22 | O23 | N24 | 0.6° | 0.0° |
| C22 | N21 | C25 | N24 | 0.5° | 0.0° |
| C22 | N21 | C25 | C26 | 179.5° | 180.0° |
| C25 | N21 | C22 | O23 | 0.7° | 0.0° |
| N21 | C25 | N24 | O23 | 0.1° | 0.0° |
| N21 | C25 | N24 | C26 | 179.0° | 180.0° |
| N21 | C25 | C26 | S33 | 168.6° | 0.0° |
| N21 | C25 | C26 | C27 | 10.4° | 179.7° |
| C22 | O23 | N24 | C25 | 0.3° | 0.0° |
| O23 | N24 | C25 | C26 | 179.1° | 180.0° |
| N24 | C25 | C26 | S33 | 12.6° | 180.0° |
| N24 | C25 | C26 | C27 | 168.5° | 0.3° |
| C25 | C26 | S33 | C27 | 179.1° | 179.7° |
| C25 | C26 | C27 | C29 | 178.5° | 180.0° |
| C25 | C26 | C27 | H27 | 1.5° | 0.1° |
| C25 | C26 | S33 | C31 | 179.1° | 179.9° |
| S33 | C26 | C27 | C29 | 0.6° | 0.3° |
| S33 | C26 | C27 | H27 | 179.4° | 179.8° |
| C26 | S33 | C31 | C29 | 0.5° | 0.3° |
| C26 | S33 | C31 | H31 | 179.5° | 179.9° |
| C26 | C27 | C29 | H27 | 180.0° | 179.9° |
| C26 | C27 | C29 | C31 | 1.1° | 0.0° |
| C26 | C27 | C29 | H29 | 178.9° | 180.0° |
| C27 | C26 | S33 | C31 | 0.0° | 0.3° |
| C27 | C29 | C31 | H29 | 180.0° | 180.0° |
| C27 | C29 | C31 | S33 | 1.0° | 0.2° |
| C27 | C29 | C31 | H31 | 179.0° | 180.0° |
| H27 | C27 | C29 | C31 | 178.9° | 179.9° |
| H27 | C27 | C29 | H29 | 1.1° | 0.1° |
| C29 | C31 | S33 | H31 | 180.0° | 179.8° |
| H29 | C29 | C31 | S33 | 179.0° | 179.7° |
| H29 | C29 | C31 | H31 | 1.0° | 0.1° |
| C18 | N34 | N36 | N37 | 144.3° | 88.6° |
