BL7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C4 | doub | 1.21Å | 1.23Å | |
| C4 | C3 | sing | 1.52Å | 1.50Å | |
| C4 | C5 | sing | 1.47Å | 1.50Å | |
| C3 | O1 | sing | 1.43Å | 1.46Å | |
| C3 | C2 | sing | 1.54Å | 1.54Å | |
| C3 | C11 | sing | 1.52Å | 1.50Å | |
| C2 | C1 | sing | 1.54Å | 1.55Å | |
| C1 | N1 | sing | 1.47Å | 1.49Å | |
| N1 | C12 | sing | 1.40Å | 1.41Å | |
| N1 | C11 | sing | 1.37Å | 1.39Å | |
| C12 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | N2 | doub | 1.30Å | 1.34Å | |
| N2 | C10 | sing | 1.36Å | 1.37Å | |
| C10 | C5 | doub | 1.42Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C4 | C3 | 121.0° | 122.0° |
| O2 | C4 | C5 | 124.0° | 122.1° |
| C3 | C4 | C5 | 114.9° | 115.9° |
| C4 | C3 | O1 | 108.8° | 112.1° |
| C4 | C3 | C2 | 116.2° | 109.5° |
| C4 | C3 | C11 | 108.1° | 106.9° |
| C4 | C5 | C10 | 117.7° | 118.5° |
| C4 | C5 | C6 | 122.4° | 121.1° |
| O1 | C3 | C2 | 113.9° | 112.3° |
| O1 | C3 | C11 | 109.7° | 112.3° |
| C3 | O1 | HO1 | 109.5° | 114.0° |
| C2 | C3 | C11 | 99.5° | 103.2° |
| C3 | C2 | C1 | 105.6° | 102.4° |
| C3 | C2 | H2 | 110.8° | 110.8° |
| C3 | C2 | H2A | 111.6° | 110.8° |
| C3 | C11 | N1 | 109.5° | 107.2° |
| C3 | C11 | N2 | 119.2° | 124.9° |
| C2 | C1 | N1 | 101.7° | 106.6° |
| C1 | C2 | H2 | 110.8° | 110.8° |
| C1 | C2 | H2A | 111.6° | 110.8° |
| C2 | C1 | H1 | 112.2° | 110.1° |
| C2 | C1 | H1A | 113.8° | 110.0° |
| C1 | N1 | C12 | 121.7° | 124.9° |
| C1 | N1 | C11 | 111.2° | 110.7° |
| N1 | C1 | H1 | 112.1° | 110.0° |
| N1 | C1 | H1A | 113.7° | 110.0° |
| C12 | N1 | C11 | 126.9° | 124.5° |
| N1 | C12 | C17 | 121.0° | 120.0° |
| N1 | C12 | C13 | 119.8° | 120.1° |
| N1 | C11 | N2 | 128.3° | 127.9° |
| C17 | C12 | C13 | 119.1° | 119.9° |
| C12 | C17 | C16 | 121.2° | 119.9° |
| C12 | C17 | H17 | 119.4° | 120.1° |
| C12 | C13 | C14 | 119.6° | 119.9° |
| C12 | C13 | H13 | 120.2° | 120.0° |
| C17 | C16 | C15 | 120.1° | 120.1° |
| C16 | C17 | H17 | 119.4° | 120.0° |
| C17 | C16 | H16 | 119.9° | 120.0° |
| C16 | C15 | C14 | 119.2° | 120.2° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C16 | C15 | H15 | 120.4° | 119.9° |
| C15 | C14 | C13 | 120.9° | 120.1° |
| C14 | C15 | H15 | 120.4° | 119.9° |
| C15 | C14 | H14 | 119.5° | 120.0° |
| C13 | C14 | H14 | 119.6° | 120.0° |
| C14 | C13 | H13 | 120.2° | 120.0° |
| C11 | N2 | C10 | 121.5° | 121.2° |
| N2 | C10 | C5 | 121.0° | 120.4° |
| N2 | C10 | C9 | 120.0° | 120.6° |
| C5 | C10 | C9 | 118.9° | 119.0° |
| C10 | C5 | C6 | 119.7° | 120.4° |
| C10 | C9 | C8 | 122.1° | 119.9° |
| C10 | C9 | H9 | 119.0° | 120.1° |
| C5 | C6 | C7 | 119.8° | 119.3° |
| C5 | C6 | H6 | 120.1° | 120.2° |
| C9 | C8 | C7 | 118.2° | 120.8° |
| C8 | C9 | H9 | 118.9° | 120.0° |
| C9 | C8 | H8 | 120.9° | 119.6° |
| C8 | C7 | C6 | 121.3° | 120.6° |
| C7 | C8 | H8 | 120.9° | 119.6° |
| C8 | C7 | H7 | 119.4° | 119.8° |
| C6 | C7 | H7 | 119.3° | 119.6° |
| C7 | C6 | H6 | 120.1° | 120.5° |
| H2 | C2 | H2A | 106.5° | 110.9° |
| H1 | C1 | H1A | 103.7° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C4 | C3 | C5 | 176.6° | 179.8° |
| O2 | C4 | C3 | O1 | 101.3° | 95.1° |
| O2 | C4 | C3 | C2 | 28.8° | 30.2° |
| O2 | C4 | C3 | C11 | 139.5° | 141.4° |
| O2 | C4 | C5 | C10 | 162.0° | 152.4° |
| O2 | C4 | C5 | C6 | 22.9° | 27.4° |
| C4 | C3 | O1 | C2 | 131.3° | 123.7° |
| C4 | C3 | O1 | C11 | 118.1° | 120.4° |
| C4 | C3 | C2 | C11 | 115.7° | 113.6° |
| C4 | C3 | C2 | C1 | 150.2° | 141.6° |
| C4 | C3 | C11 | N1 | 152.6° | 147.4° |
| C4 | C3 | C11 | N2 | 45.3° | 29.9° |
| C3 | C4 | C5 | C10 | 21.5° | 27.9° |
| C3 | C4 | C5 | C6 | 153.5° | 152.4° |
| C4 | C3 | O1 | HO1 | 75.3° | 59.2° |
| C4 | C3 | C2 | H2 | 30.2° | 23.4° |
| C4 | C3 | C2 | H2A | 88.3° | 100.2° |
| C5 | C4 | C3 | O1 | 75.2° | 84.7° |
| C5 | C4 | C3 | C2 | 154.7° | 150.0° |
| C5 | C4 | C3 | C11 | 43.9° | 38.8° |
| C4 | C5 | C10 | N2 | 6.0° | 0.6° |
| C4 | C5 | C10 | C6 | 175.2° | 179.7° |
| C4 | C5 | C10 | C9 | 177.5° | 179.7° |
| C4 | C5 | C6 | C7 | 177.8° | 179.1° |
| C4 | C5 | C6 | H6 | 2.2° | 0.1° |
| O1 | C3 | C2 | C11 | 116.7° | 121.2° |
| O1 | C3 | C2 | C1 | 82.2° | 93.2° |
| O1 | C3 | C11 | N1 | 88.9° | 89.2° |
| O1 | C3 | C11 | N2 | 73.2° | 93.5° |
| O1 | C3 | C2 | H2 | 157.8° | 148.6° |
| O1 | C3 | C2 | H2A | 39.3° | 25.1° |
| C3 | C2 | C1 | H2 | 120.0° | 118.2° |
| C3 | C2 | C1 | H2A | 121.5° | 118.2° |
| C3 | C2 | C1 | N1 | 26.6° | 16.0° |
| C2 | C3 | C11 | N1 | 30.9° | 32.0° |
| C2 | C3 | C11 | N2 | 167.0° | 145.3° |
| C2 | C3 | O1 | HO1 | 56.0° | 177.0° |
| C3 | C2 | H2 | H2A | 121.6° | 123.5° |
| C3 | C2 | C1 | H1 | 146.6° | 135.3° |
| C3 | C2 | C1 | H1A | 96.1° | 103.2° |
| C11 | C3 | C2 | C1 | 34.5° | 28.0° |
| C3 | C11 | N1 | C1 | 15.4° | 22.5° |
| C3 | C11 | N1 | C12 | 159.3° | 156.9° |
| C3 | C11 | N1 | N2 | 160.0° | 177.2° |
| C3 | C11 | N2 | C10 | 20.8° | 5.1° |
| C11 | C3 | O1 | HO1 | 166.6° | 61.2° |
| C11 | C3 | C2 | H2 | 85.5° | 90.2° |
| C11 | C3 | C2 | H2A | 156.0° | 146.2° |
| C2 | C1 | N1 | H1 | 120.0° | 119.3° |
| C2 | C1 | N1 | H1A | 122.8° | 119.2° |
| C2 | C1 | N1 | C12 | 177.6° | 175.7° |
| C2 | C1 | N1 | C11 | 7.4° | 3.7° |
| C1 | C2 | H2 | H2A | 121.6° | 123.6° |
| C2 | C1 | H1 | H1A | 123.2° | 121.5° |
| C1 | N1 | C12 | C11 | 174.2° | 179.4° |
| C1 | N1 | C12 | C17 | 25.1° | 0.0° |
| C1 | N1 | C12 | C13 | 151.9° | 179.7° |
| C1 | N1 | C11 | N2 | 175.4° | 154.6° |
| N1 | C1 | C2 | H2 | 93.4° | 102.2° |
| N1 | C1 | C2 | H2A | 148.1° | 134.2° |
| N1 | C1 | H1 | H1A | 123.1° | 121.4° |
| N1 | C12 | C17 | C13 | 177.0° | 179.7° |
| N1 | C12 | C17 | C16 | 177.6° | 180.0° |
| N1 | C12 | C13 | C14 | 177.5° | 179.7° |
| C12 | N1 | C11 | N2 | 0.7° | 25.9° |
| C12 | N1 | C1 | H1 | 57.5° | 65.0° |
| C12 | N1 | C1 | H1A | 59.7° | 56.5° |
| N1 | C12 | C17 | H17 | 2.4° | 0.0° |
| N1 | C12 | C13 | H13 | 2.5° | 0.0° |
| C11 | N1 | C12 | C17 | 149.1° | 179.4° |
| C11 | N1 | C12 | C13 | 33.9° | 0.3° |
| N1 | C11 | N2 | C10 | 179.2° | 171.6° |
| C11 | N1 | C1 | H1 | 127.4° | 115.6° |
| C11 | N1 | C1 | H1A | 115.4° | 123.0° |
| C12 | C17 | C16 | H17 | 180.0° | 179.9° |
| C12 | C17 | C16 | C15 | 0.1° | 0.1° |
| C17 | C12 | C13 | C14 | 0.5° | 0.5° |
| C12 | C17 | C16 | H16 | 179.9° | 180.0° |
| C17 | C12 | C13 | H13 | 179.5° | 179.7° |
| C13 | C12 | C17 | C16 | 0.6° | 0.3° |
| C12 | C13 | C14 | C15 | 0.1° | 0.5° |
| C12 | C13 | C14 | H13 | 180.0° | 179.8° |
| C13 | C12 | C17 | H17 | 179.4° | 179.8° |
| C12 | C13 | C14 | H14 | 179.9° | 179.7° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.5° | 0.0° |
| C17 | C16 | C15 | H15 | 179.5° | 180.0° |
| C16 | C15 | C14 | H15 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.6° | 0.3° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| C16 | C15 | C14 | H14 | 179.4° | 179.9° |
| C15 | C14 | C13 | H14 | 180.0° | 179.8° |
| C14 | C15 | C16 | H16 | 179.5° | 180.0° |
| C15 | C14 | C13 | H13 | 179.9° | 179.7° |
| C13 | C14 | C15 | H15 | 179.4° | 179.8° |
| C11 | N2 | C10 | C5 | 6.9° | 11.5° |
| C11 | N2 | C10 | C9 | 176.5° | 168.1° |
| N2 | C10 | C5 | C9 | 176.6° | 179.7° |
| N2 | C10 | C5 | C6 | 178.9° | 179.6° |
| N2 | C10 | C9 | C8 | 177.3° | 179.9° |
| N2 | C10 | C9 | H9 | 2.7° | 0.1° |
| C5 | C10 | C9 | C8 | 0.7° | 0.2° |
| C10 | C5 | C6 | C7 | 2.8° | 0.6° |
| C5 | C10 | C9 | H9 | 179.3° | 179.8° |
| C10 | C5 | C6 | H6 | 177.2° | 179.8° |
| C9 | C10 | C5 | C6 | 2.3° | 0.1° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.4° | 0.0° |
| C10 | C9 | C8 | H8 | 179.6° | 179.9° |
| C5 | C6 | C7 | C8 | 1.7° | 0.9° |
| C5 | C6 | C7 | H6 | 180.0° | 179.2° |
| C5 | C6 | C7 | H7 | 178.2° | 179.7° |
| C9 | C8 | C7 | H8 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.1° | 0.6° |
| C9 | C8 | C7 | H7 | 179.8° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 179.5° |
| C7 | C8 | C9 | H9 | 179.6° | 180.0° |
| C8 | C7 | C6 | H6 | 178.3° | 179.9° |
| C6 | C7 | C8 | H8 | 179.9° | 179.5° |
| H2 | C2 | C1 | H1 | 26.6° | 17.1° |
| H2 | C2 | C1 | H1A | 143.9° | 138.6° |
| H2A | C2 | C1 | H1 | 91.9° | 106.5° |
| H2A | C2 | C1 | H1A | 25.3° | 15.0° |
| H17 | C17 | C16 | H16 | 0.1° | 0.0° |
| H16 | C16 | C15 | H15 | 0.5° | 0.0° |
| H15 | C15 | C14 | H14 | 0.6° | 0.1° |
| H14 | C14 | C13 | H13 | 0.1° | 0.1° |
| H9 | C9 | C8 | H8 | 0.4° | 0.1° |
| H8 | C8 | C7 | H7 | 0.2° | 0.0° |
| H7 | C7 | C6 | H6 | 1.8° | 0.5° |
