F9B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C15 | sing | 1.43Å | 1.43Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.36Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.36Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | N1 | sing | 1.47Å | 1.45Å | |
| C16 | O4 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
| N1 | C13 | sing | 1.47Å | 1.45Å | |
| C5 | C4 | sing | 1.42Å | 1.40Å | Aromatic |
| C5 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| O2 | C12 | sing | 1.43Å | 1.44Å | |
| C4 | C7 | sing | 1.41Å | 1.39Å | Aromatic |
| O1 | C10 | sing | 1.36Å | 1.37Å | |
| O1 | C11 | sing | 1.43Å | 1.43Å | |
| C10 | C9 | doub | 1.37Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| O4 | H16 | sing | 0.97Å | 0.95Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.08Å | 1.08Å | |
| C3 | H20 | sing | 1.08Å | 1.08Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C1 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C15 | C14 | 110.3° | 109.5° |
| O3 | C15 | H8 | 109.3° | 109.5° |
| O3 | C15 | H9 | 109.3° | 109.5° |
| C15 | O3 | H13 | 109.5° | 114.0° |
| C15 | C14 | C16 | 109.5° | 109.4° |
| C15 | C14 | N1 | 111.3° | 109.5° |
| C14 | C15 | H8 | 109.2° | 109.5° |
| C14 | C15 | H9 | 109.2° | 109.4° |
| C15 | C14 | H12 | 108.3° | 109.5° |
| C2 | C1 | C6 | 120.0° | 121.0° |
| C1 | C2 | C3 | 120.0° | 121.0° |
| C1 | C2 | H21 | 120.0° | 119.5° |
| C2 | C1 | H22 | 120.0° | 119.5° |
| C1 | C6 | C5 | 120.2° | 119.7° |
| C1 | C6 | H3 | 119.9° | 120.2° |
| C6 | C1 | H22 | 120.0° | 119.5° |
| C2 | C3 | C4 | 120.0° | 119.6° |
| C2 | C3 | H20 | 120.0° | 120.2° |
| C3 | C2 | H21 | 120.0° | 119.5° |
| C6 | C5 | C4 | 119.5° | 119.3° |
| C6 | C5 | C10 | 120.7° | 121.3° |
| C5 | C6 | H3 | 119.9° | 120.1° |
| C16 | C14 | N1 | 110.3° | 109.5° |
| C14 | C16 | O4 | 111.5° | 109.5° |
| C16 | C14 | H12 | 108.2° | 109.4° |
| C14 | C16 | H14 | 109.0° | 109.4° |
| C14 | C16 | H15 | 109.0° | 109.5° |
| C14 | N1 | C13 | 120.5° | 111.0° |
| C14 | N1 | H1 | 106.7° | 111.0° |
| N1 | C14 | H12 | 109.2° | 109.5° |
| O4 | C16 | H14 | 109.0° | 109.5° |
| O4 | C16 | H15 | 108.9° | 109.5° |
| C16 | O4 | H16 | 109.5° | 114.0° |
| C3 | C4 | C5 | 120.2° | 119.4° |
| C3 | C4 | C7 | 119.5° | 121.3° |
| C4 | C3 | H20 | 120.0° | 120.1° |
| N1 | C13 | C12 | 111.9° | 109.4° |
| C13 | N1 | H1 | 106.7° | 111.0° |
| N1 | C13 | H6 | 108.8° | 109.5° |
| N1 | C13 | H7 | 108.9° | 109.5° |
| C4 | C5 | C10 | 119.8° | 119.3° |
| C5 | C4 | C7 | 120.3° | 119.3° |
| C5 | C10 | O1 | 119.5° | 120.2° |
| C5 | C10 | C9 | 119.7° | 119.5° |
| C13 | C12 | O2 | 111.2° | 109.5° |
| C13 | C12 | C11 | 109.3° | 109.4° |
| C12 | C13 | H6 | 108.8° | 109.5° |
| C12 | C13 | H7 | 108.8° | 109.5° |
| C13 | C12 | H11 | 108.6° | 109.5° |
| O2 | C12 | C11 | 109.2° | 109.5° |
| C12 | O2 | H10 | 109.5° | 114.0° |
| O2 | C12 | H11 | 109.8° | 109.5° |
| C4 | C7 | C8 | 120.0° | 119.8° |
| C4 | C7 | H4 | 120.0° | 120.1° |
| C10 | O1 | C11 | 121.9° | 117.0° |
| O1 | C10 | C9 | 120.8° | 120.2° |
| O1 | C11 | C12 | 109.9° | 109.5° |
| O1 | C11 | H17 | 109.4° | 109.5° |
| O1 | C11 | H18 | 109.4° | 109.4° |
| C10 | C9 | C8 | 120.3° | 120.9° |
| C10 | C9 | H19 | 119.8° | 119.5° |
| C11 | C12 | H11 | 108.7° | 109.4° |
| C12 | C11 | H17 | 109.4° | 109.5° |
| C12 | C11 | H18 | 109.4° | 109.5° |
| C7 | C8 | C9 | 120.0° | 121.1° |
| C8 | C7 | H4 | 120.0° | 120.1° |
| C7 | C8 | H5 | 120.0° | 119.5° |
| C9 | C8 | H5 | 120.0° | 119.5° |
| C8 | C9 | H19 | 119.8° | 119.6° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.4° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C15 | C14 | H8 | 120.1° | 120.0° |
| O3 | C15 | C14 | H9 | 120.1° | 120.0° |
| O3 | C15 | C14 | C16 | 176.7° | 55.0° |
| O3 | C15 | C14 | N1 | 61.1° | 65.0° |
| O3 | C15 | H8 | H9 | 119.7° | 120.0° |
| O3 | C15 | C14 | H12 | 59.0° | 175.0° |
| C15 | C14 | C16 | N1 | 122.8° | 120.0° |
| C15 | C14 | C16 | H12 | 117.8° | 120.0° |
| C15 | C14 | N1 | H12 | 119.4° | 120.0° |
| C15 | C14 | C16 | O4 | 164.2° | 55.0° |
| C15 | C14 | N1 | C13 | 89.9° | 155.1° |
| C15 | C14 | N1 | H1 | 31.6° | 81.0° |
| C14 | C15 | H8 | H9 | 119.6° | 119.9° |
| C14 | C15 | O3 | H13 | 180.0° | 179.9° |
| C15 | C14 | C16 | H14 | 75.5° | 175.0° |
| C15 | C14 | C16 | H15 | 43.9° | 65.0° |
| C2 | C1 | C6 | H22 | 180.0° | 179.7° |
| C1 | C2 | C3 | H21 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.0° | 0.2° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C2 | C1 | C6 | H3 | 180.0° | 179.8° |
| C1 | C2 | C3 | H20 | 179.7° | 179.9° |
| C6 | C1 | C2 | C3 | 0.2° | 0.2° |
| C1 | C6 | C5 | H3 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.0° |
| C1 | C6 | C5 | C10 | 179.8° | 180.0° |
| C6 | C1 | C2 | H21 | 179.8° | 179.7° |
| C2 | C3 | C4 | H20 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.3° | 0.3° |
| C2 | C3 | C4 | C7 | 179.8° | 180.0° |
| C3 | C2 | C1 | H22 | 179.8° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C6 | C5 | C4 | C10 | 179.8° | 180.0° |
| C6 | C5 | C4 | C7 | 180.0° | 180.0° |
| C6 | C5 | C10 | O1 | 0.6° | 0.1° |
| C6 | C5 | C10 | C9 | 179.8° | 180.0° |
| C5 | C6 | C1 | H22 | 180.0° | 180.0° |
| C16 | C14 | N1 | H12 | 118.8° | 120.0° |
| C14 | C16 | O4 | H14 | 120.3° | 119.9° |
| C14 | C16 | O4 | H15 | 120.3° | 120.0° |
| C16 | C14 | N1 | C13 | 148.3° | 85.0° |
| C16 | C14 | N1 | H1 | 90.1° | 39.0° |
| C16 | C14 | C15 | H8 | 63.1° | 65.0° |
| C16 | C14 | C15 | H9 | 56.6° | 175.1° |
| C14 | C16 | H14 | H15 | 119.1° | 120.0° |
| C14 | C16 | O4 | H16 | 180.0° | 180.0° |
| N1 | C14 | C16 | O4 | 73.1° | 65.0° |
| C14 | N1 | C13 | H1 | 121.6° | 123.9° |
| C14 | N1 | C13 | C12 | 158.2° | 180.0° |
| C14 | N1 | C13 | H6 | 81.5° | 60.0° |
| C14 | N1 | C13 | H7 | 37.8° | 60.0° |
| N1 | C14 | C15 | H8 | 59.1° | 175.0° |
| N1 | C14 | C15 | H9 | 178.8° | 55.0° |
| N1 | C14 | C16 | H14 | 47.3° | 55.0° |
| N1 | C14 | C16 | H15 | 166.7° | 175.0° |
| O4 | C16 | C14 | H12 | 46.3° | 175.0° |
| O4 | C16 | H14 | H15 | 119.0° | 120.0° |
| C3 | C4 | C5 | C7 | 179.9° | 179.7° |
| C3 | C4 | C5 | C10 | 179.9° | 179.8° |
| C3 | C4 | C7 | C8 | 179.9° | 179.7° |
| C3 | C4 | C7 | H4 | 0.1° | 0.3° |
| C4 | C3 | C2 | H21 | 179.7° | 180.0° |
| N1 | C13 | C12 | H6 | 120.3° | 120.0° |
| N1 | C13 | C12 | H7 | 120.4° | 120.0° |
| N1 | C13 | C12 | O2 | 85.7° | 60.0° |
| N1 | C13 | C12 | C11 | 153.7° | 179.9° |
| N1 | C13 | H6 | H7 | 118.9° | 120.0° |
| N1 | C13 | C12 | H11 | 35.3° | 60.0° |
| C13 | N1 | C14 | H12 | 29.5° | 35.0° |
| C4 | C5 | C10 | O1 | 179.6° | 180.0° |
| C4 | C5 | C10 | C9 | 0.4° | 0.1° |
| C5 | C4 | C7 | C8 | 0.0° | 0.0° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C5 | C4 | C7 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | H20 | 179.7° | 179.6° |
| C10 | C5 | C4 | C7 | 0.2° | 0.1° |
| C5 | C10 | O1 | C9 | 179.2° | 179.9° |
| C5 | C10 | O1 | C11 | 155.3° | 180.0° |
| C5 | C10 | C9 | C8 | 0.5° | 0.0° |
| C10 | C5 | C6 | H3 | 0.2° | 0.0° |
| C5 | C10 | C9 | H19 | 179.5° | 180.0° |
| C13 | C12 | O2 | C11 | 120.6° | 120.0° |
| C13 | C12 | O2 | H11 | 120.3° | 120.0° |
| C13 | C12 | C11 | O1 | 47.1° | 175.0° |
| C13 | C12 | C11 | H11 | 118.4° | 120.0° |
| C12 | C13 | N1 | H1 | 36.6° | 56.1° |
| C12 | C13 | H6 | H7 | 118.9° | 120.0° |
| C13 | C12 | O2 | H10 | 180.0° | 60.0° |
| C13 | C12 | C11 | H17 | 73.0° | 55.0° |
| C13 | C12 | C11 | H18 | 167.1° | 65.1° |
| O2 | C12 | C11 | O1 | 74.8° | 65.0° |
| O2 | C12 | C11 | H11 | 119.8° | 120.0° |
| O2 | C12 | C13 | H6 | 153.9° | 180.0° |
| O2 | C12 | C13 | H7 | 34.6° | 60.0° |
| O2 | C12 | C11 | H17 | 165.2° | 175.0° |
| O2 | C12 | C11 | H18 | 45.3° | 55.0° |
| C4 | C7 | C8 | H4 | 180.0° | 180.0° |
| C4 | C7 | C8 | C9 | 0.0° | 0.0° |
| C4 | C7 | C8 | H5 | 180.0° | 180.0° |
| C7 | C4 | C3 | H20 | 0.2° | 0.0° |
| C10 | O1 | C11 | C12 | 169.5° | 180.0° |
| O1 | C10 | C9 | C8 | 179.6° | 179.9° |
| C10 | O1 | C11 | H17 | 49.5° | 60.0° |
| C10 | O1 | C11 | H18 | 70.4° | 60.0° |
| O1 | C10 | C9 | H19 | 0.4° | 0.1° |
| C11 | O1 | C10 | C9 | 25.6° | 0.1° |
| O1 | C11 | C12 | H17 | 120.1° | 120.0° |
| O1 | C11 | C12 | H18 | 120.1° | 119.9° |
| O1 | C11 | C12 | H11 | 165.5° | 55.1° |
| O1 | C11 | H17 | H18 | 119.8° | 119.9° |
| C10 | C9 | C8 | C7 | 0.3° | 0.0° |
| C10 | C9 | C8 | H19 | 180.0° | 180.0° |
| C10 | C9 | C8 | H5 | 179.7° | 180.0° |
| C11 | C12 | C13 | H6 | 33.4° | 60.0° |
| C11 | C12 | C13 | H7 | 85.9° | 60.0° |
| C11 | C12 | O2 | H10 | 59.4° | 60.0° |
| C12 | C11 | H17 | H18 | 119.8° | 120.0° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C7 | C8 | C9 | H19 | 179.7° | 180.0° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| H1 | N1 | C13 | H6 | 156.9° | 176.1° |
| H1 | N1 | C13 | H7 | 83.8° | 63.9° |
| H1 | N1 | C14 | H12 | 151.1° | 158.9° |
| H3 | C6 | C1 | H22 | 0.0° | 0.0° |
| H4 | C7 | C8 | H5 | 0.0° | 0.0° |
| H5 | C8 | C9 | H19 | 0.3° | 0.0° |
| H6 | C13 | C12 | H11 | 85.1° | 60.0° |
| H7 | C13 | C12 | H11 | 155.6° | 180.0° |
| H8 | C15 | C14 | H12 | 179.1° | 54.9° |
| H8 | C15 | O3 | H13 | 59.9° | 60.0° |
| H9 | C15 | C14 | H12 | 61.2° | 65.0° |
| H9 | C15 | O3 | H13 | 59.9° | 59.9° |
| H10 | O2 | C12 | H11 | 59.7° | 180.0° |
| H11 | C12 | C11 | H17 | 45.4° | 65.0° |
| H11 | C12 | C11 | H18 | 74.5° | 175.0° |
| H12 | C14 | C16 | H14 | 166.7° | 65.0° |
| H12 | C14 | C16 | H15 | 73.9° | 55.0° |
| H14 | C16 | O4 | H16 | 59.7° | 60.1° |
| H15 | C16 | O4 | H16 | 59.7° | 60.0° |
| H20 | C3 | C2 | H21 | 0.3° | 0.0° |
| H21 | C2 | C1 | H22 | 0.2° | 0.1° |
