B7L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | N3 | sing | 1.46Å | 1.45Å | |
| C5 | C6 | sing | 1.51Å | 1.48Å | |
| C10 | C6 | doub | 1.34Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.47Å | 1.44Å | Aromatic |
| N3 | C2 | sing | 1.35Å | 1.33Å | |
| O4 | C2 | doub | 1.22Å | 1.23Å | |
| C2 | C1 | sing | 1.47Å | 1.49Å | |
| C6 | O7 | sing | 1.34Å | 1.39Å | Aromatic |
| C18 | C1 | sing | 1.41Å | 1.41Å | Aromatic |
| C18 | N19 | doub | 1.31Å | 1.33Å | Aromatic |
| C1 | C21 | doub | 1.41Å | 1.43Å | Aromatic |
| N19 | N20 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | N20 | sing | 1.37Å | 1.37Å | Aromatic |
| C21 | N25 | sing | 1.33Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| N20 | C22 | sing | 1.36Å | 1.37Å | Aromatic |
| N25 | C24 | doub | 1.32Å | 1.32Å | Aromatic |
| C22 | C23 | doub | 1.36Å | 1.35Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| O7 | C8 | sing | 1.35Å | 1.37Å | Aromatic |
| C8 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C15 | sing | 1.47Å | 1.51Å | |
| O16 | C15 | sing | 1.35Å | 1.30Å | |
| C15 | O17 | doub | 1.22Å | 1.21Å | |
| C13 | H31 | sing | 1.08Å | 1.08Å | |
| C18 | H34 | sing | 1.08Å | 1.08Å | |
| C22 | H35 | sing | 1.08Å | 1.08Å | |
| C23 | H36 | sing | 1.08Å | 1.08Å | |
| C24 | H37 | sing | 1.08Å | 1.08Å | |
| C12 | H30 | sing | 1.08Å | 1.08Å | |
| N3 | H26 | sing | 0.97Å | 1.00Å | |
| C5 | H27 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.09Å | 1.10Å | |
| C10 | H29 | sing | 1.08Å | 1.08Å | |
| C14 | H32 | sing | 1.08Å | 1.08Å | |
| O16 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C5 | C6 | 113.7° | 109.5° |
| C5 | N3 | C2 | 121.2° | 120.0° |
| C5 | N3 | H26 | 119.4° | 120.0° |
| N3 | C5 | H27 | 108.4° | 109.5° |
| N3 | C5 | H28 | 108.4° | 109.4° |
| C5 | C6 | C10 | 133.6° | 124.9° |
| C5 | C6 | O7 | 115.5° | 124.9° |
| C6 | C5 | H27 | 108.4° | 109.5° |
| C6 | C5 | H28 | 108.4° | 109.5° |
| C6 | C10 | C9 | 106.8° | 106.1° |
| C10 | C6 | O7 | 110.9° | 110.2° |
| C6 | C10 | H29 | 126.6° | 127.0° |
| C10 | C9 | C14 | 135.9° | 134.3° |
| C10 | C9 | C8 | 105.6° | 105.4° |
| C9 | C10 | H29 | 126.6° | 126.9° |
| N3 | C2 | O4 | 121.9° | 120.1° |
| N3 | C2 | C1 | 117.8° | 120.0° |
| C2 | N3 | H26 | 119.4° | 120.0° |
| O4 | C2 | C1 | 120.3° | 119.9° |
| C2 | C1 | C18 | 128.6° | 126.5° |
| C2 | C1 | C21 | 126.8° | 126.6° |
| C6 | O7 | C8 | 106.2° | 110.9° |
| C1 | C18 | N19 | 113.1° | 108.7° |
| C18 | C1 | C21 | 104.6° | 106.9° |
| C1 | C18 | H34 | 123.5° | 125.6° |
| C18 | N19 | N20 | 104.6° | 109.5° |
| N19 | C18 | H34 | 123.4° | 125.6° |
| C1 | C21 | N20 | 105.9° | 106.8° |
| C1 | C21 | N25 | 131.4° | 132.4° |
| N19 | N20 | C21 | 111.7° | 108.1° |
| N19 | N20 | C22 | 127.9° | 132.1° |
| C14 | C9 | C8 | 118.4° | 120.3° |
| C9 | C14 | C13 | 120.1° | 120.0° |
| C9 | C14 | H32 | 120.0° | 120.1° |
| C9 | C8 | O7 | 110.6° | 107.4° |
| C9 | C8 | C11 | 122.4° | 119.2° |
| N20 | C21 | N25 | 122.7° | 120.8° |
| C21 | N20 | C22 | 120.3° | 119.8° |
| C21 | N25 | C24 | 115.6° | 120.8° |
| C14 | C13 | C12 | 120.8° | 120.5° |
| C14 | C13 | H31 | 119.6° | 119.7° |
| C13 | C14 | H32 | 119.9° | 120.0° |
| N20 | C22 | C23 | 118.2° | 119.2° |
| N20 | C22 | H35 | 120.9° | 120.5° |
| N25 | C24 | C23 | 124.5° | 120.1° |
| N25 | C24 | H37 | 117.8° | 119.9° |
| C22 | C23 | C24 | 118.6° | 119.3° |
| C23 | C22 | H35 | 120.9° | 120.3° |
| C22 | C23 | H36 | 120.7° | 120.4° |
| C24 | C23 | H36 | 120.7° | 120.3° |
| C23 | C24 | H37 | 117.7° | 120.0° |
| O7 | C8 | C11 | 127.0° | 133.4° |
| C8 | C11 | C12 | 117.7° | 119.6° |
| C8 | C11 | C15 | 123.1° | 120.2° |
| C13 | C12 | C11 | 120.6° | 120.5° |
| C12 | C13 | H31 | 119.6° | 119.8° |
| C13 | C12 | H30 | 119.7° | 119.8° |
| C12 | C11 | C15 | 119.1° | 120.2° |
| C11 | C12 | H30 | 119.7° | 119.7° |
| C11 | C15 | O16 | 118.4° | 120.0° |
| C11 | C15 | O17 | 121.8° | 120.0° |
| O16 | C15 | O17 | 119.8° | 120.0° |
| C15 | O16 | H33 | 109.5° | 117.0° |
| H27 | C5 | H28 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C5 | C6 | H27 | 120.6° | 120.0° |
| N3 | C5 | C6 | H28 | 120.6° | 120.0° |
| N3 | C5 | C6 | C10 | 129.3° | 89.0° |
| C5 | N3 | C2 | H26 | 180.0° | 180.0° |
| C5 | N3 | C2 | O4 | 1.7° | 0.0° |
| C5 | N3 | C2 | C1 | 178.8° | 180.0° |
| N3 | C5 | C6 | O7 | 52.0° | 89.9° |
| N3 | C5 | H27 | H28 | 118.1° | 119.9° |
| C5 | C6 | C10 | O7 | 178.7° | 179.1° |
| C5 | C6 | C10 | C9 | 178.5° | 179.9° |
| C6 | C5 | N3 | C2 | 149.0° | 180.0° |
| C5 | C6 | O7 | C8 | 178.5° | 179.9° |
| C6 | C5 | N3 | H26 | 31.0° | 0.0° |
| C6 | C5 | H27 | H28 | 118.1° | 120.0° |
| C5 | C6 | C10 | H29 | 1.5° | 0.9° |
| C6 | C10 | C9 | H29 | 180.0° | 179.3° |
| C6 | C10 | C9 | C14 | 176.1° | 180.0° |
| C6 | C10 | C9 | C8 | 0.1° | 0.4° |
| C10 | C6 | O7 | C8 | 0.5° | 0.8° |
| C10 | C6 | C5 | H27 | 110.0° | 31.0° |
| C10 | C6 | C5 | H28 | 8.7° | 151.0° |
| C9 | C10 | C6 | O7 | 0.3° | 0.8° |
| C10 | C9 | C14 | C8 | 175.6° | 179.6° |
| C10 | C9 | C14 | C13 | 175.7° | 180.0° |
| C10 | C9 | C8 | O7 | 0.4° | 0.0° |
| C10 | C9 | C8 | C11 | 177.1° | 179.6° |
| C10 | C9 | C14 | H32 | 4.3° | 0.0° |
| N3 | C2 | O4 | C1 | 179.5° | 180.0° |
| N3 | C2 | C1 | C18 | 166.4° | 0.0° |
| N3 | C2 | C1 | C21 | 13.5° | 180.0° |
| C2 | N3 | C5 | H27 | 28.4° | 60.0° |
| C2 | N3 | C5 | H28 | 90.4° | 60.0° |
| O4 | C2 | C1 | C18 | 13.1° | 180.0° |
| O4 | C2 | C1 | C21 | 167.0° | 0.0° |
| O4 | C2 | N3 | H26 | 178.3° | 180.0° |
| C2 | C1 | C18 | C21 | 179.9° | 180.0° |
| C2 | C1 | C18 | N19 | 179.6° | 180.0° |
| C2 | C1 | C21 | N20 | 179.6° | 180.0° |
| C2 | C1 | C21 | N25 | 0.9° | 0.0° |
| C2 | C1 | C18 | H34 | 0.4° | 0.2° |
| C1 | C2 | N3 | H26 | 1.2° | 0.0° |
| C6 | O7 | C8 | C9 | 0.5° | 0.5° |
| C6 | O7 | C8 | C11 | 176.8° | 179.0° |
| O7 | C6 | C5 | H27 | 68.7° | 150.0° |
| O7 | C6 | C5 | H28 | 172.6° | 30.0° |
| O7 | C6 | C10 | H29 | 179.8° | 180.0° |
| C1 | C18 | N19 | H34 | 180.0° | 179.8° |
| C1 | C18 | N19 | N20 | 0.2° | 0.0° |
| C18 | C1 | C21 | N20 | 0.3° | 0.1° |
| C18 | C1 | C21 | N25 | 179.0° | 180.0° |
| N19 | C18 | C1 | C21 | 0.3° | 0.0° |
| C18 | N19 | N20 | C21 | 0.0° | 0.0° |
| C18 | N19 | N20 | C22 | 178.9° | 180.0° |
| C1 | C21 | N20 | N19 | 0.2° | 0.1° |
| C1 | C21 | N20 | N25 | 178.8° | 180.0° |
| C1 | C21 | N20 | C22 | 178.8° | 180.0° |
| C1 | C21 | N25 | C24 | 178.4° | 180.0° |
| C21 | C1 | C18 | H34 | 179.7° | 179.7° |
| N19 | N20 | C21 | C22 | 179.1° | 179.9° |
| N19 | N20 | C21 | N25 | 179.1° | 180.0° |
| N19 | N20 | C22 | C23 | 178.7° | 179.9° |
| N20 | N19 | C18 | H34 | 179.8° | 179.8° |
| N19 | N20 | C22 | H35 | 1.3° | 0.1° |
| C9 | C14 | C13 | H32 | 180.0° | 180.0° |
| C14 | C9 | C8 | O7 | 177.2° | 179.6° |
| C14 | C9 | C8 | C11 | 0.2° | 0.8° |
| C9 | C14 | C13 | C12 | 0.1° | 0.0° |
| C9 | C14 | C13 | H31 | 179.9° | 179.7° |
| C14 | C9 | C10 | H29 | 3.9° | 0.7° |
| C8 | C9 | C14 | C13 | 0.1° | 0.5° |
| C9 | C8 | O7 | C11 | 177.3° | 179.5° |
| C9 | C8 | C11 | C12 | 0.2° | 0.5° |
| C9 | C8 | C11 | C15 | 178.7° | 179.6° |
| C8 | C9 | C10 | H29 | 179.9° | 179.7° |
| C8 | C9 | C14 | H32 | 180.0° | 179.5° |
| N20 | C21 | N25 | C24 | 0.2° | 0.1° |
| C21 | N20 | C22 | C23 | 0.2° | 0.0° |
| C21 | N20 | C22 | H35 | 179.8° | 180.0° |
| N25 | C21 | N20 | C22 | 0.0° | 0.0° |
| C21 | N25 | C24 | C23 | 0.1° | 0.1° |
| C21 | N25 | C24 | H37 | 179.9° | 180.0° |
| C14 | C13 | C12 | H31 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 0.2° | 0.3° |
| C14 | C13 | C12 | H30 | 179.8° | 179.7° |
| N20 | C22 | C23 | H35 | 180.0° | 180.0° |
| N20 | C22 | C23 | C24 | 0.2° | 0.0° |
| N20 | C22 | C23 | H36 | 179.8° | 179.9° |
| N25 | C24 | C23 | C22 | 0.1° | 0.0° |
| N25 | C24 | C23 | H37 | 180.0° | 179.9° |
| N25 | C24 | C23 | H36 | 179.9° | 179.9° |
| C22 | C23 | C24 | H36 | 180.0° | 179.9° |
| C22 | C23 | C24 | H37 | 179.9° | 179.9° |
| C24 | C23 | C22 | H35 | 179.7° | 180.0° |
| O7 | C8 | C11 | C12 | 176.8° | 180.0° |
| O7 | C8 | C11 | C15 | 4.2° | 0.1° |
| C8 | C11 | C12 | C13 | 0.0° | 0.0° |
| C8 | C11 | C12 | C15 | 179.0° | 179.9° |
| C8 | C11 | C15 | O16 | 2.7° | 180.0° |
| C8 | C11 | C15 | O17 | 175.5° | 0.1° |
| C8 | C11 | C12 | H30 | 180.0° | 180.0° |
| C13 | C12 | C11 | H30 | 180.0° | 180.0° |
| C13 | C12 | C11 | C15 | 179.0° | 179.9° |
| C12 | C13 | C14 | H32 | 179.9° | 180.0° |
| C12 | C11 | C15 | O16 | 176.2° | 0.1° |
| C12 | C11 | C15 | O17 | 5.6° | 180.0° |
| C11 | C12 | C13 | H31 | 179.8° | 180.0° |
| C11 | C15 | O16 | O17 | 178.2° | 179.9° |
| C15 | C11 | C12 | H30 | 1.0° | 0.1° |
| C11 | C15 | O16 | H33 | 178.2° | 179.9° |
| O17 | C15 | O16 | H33 | 0.0° | 0.0° |
| H31 | C13 | C12 | H30 | 0.2° | 0.0° |
| H31 | C13 | C14 | H32 | 0.1° | 0.3° |
| H35 | C22 | C23 | H36 | 0.2° | 0.1° |
| H36 | C23 | C24 | H37 | 0.1° | 0.0° |
| H26 | N3 | C5 | H27 | 151.6° | 120.0° |
| H26 | N3 | C5 | H28 | 89.6° | 120.1° |
