F0F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | N3 | sing | 1.46Å | 1.46Å | |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| N3 | C4 | sing | 1.46Å | 1.46Å | |
| N3 | C6 | sing | 1.35Å | 1.45Å | |
| C13 | C8 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C6 | C8 | sing | 1.51Å | 1.49Å | |
| C6 | O7 | doub | 1.21Å | 1.26Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| N12 | C11 | sing | 1.47Å | 1.48Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| N12 | H2 | sing | 1.01Å | 1.00Å | |
| N12 | H3 | sing | 1.01Å | 1.00Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N3 | 108.9° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.4° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C1 | C2 | H13 | 109.6° | 109.5° |
| C1 | C2 | H14 | 109.6° | 109.5° |
| C2 | N3 | C4 | 116.6° | 120.0° |
| C2 | N3 | C6 | 126.3° | 120.0° |
| N3 | C2 | H13 | 109.6° | 109.5° |
| N3 | C2 | H14 | 109.6° | 109.5° |
| C18 | C17 | C16 | 121.1° | 120.0° |
| C17 | C18 | C13 | 121.0° | 120.0° |
| C18 | C17 | H8 | 119.4° | 119.9° |
| C17 | C18 | H9 | 119.5° | 120.0° |
| C17 | C16 | C15 | 118.2° | 120.0° |
| C17 | C16 | H7 | 120.9° | 120.0° |
| C16 | C17 | H8 | 119.5° | 120.1° |
| C18 | C13 | C8 | 122.0° | 120.0° |
| C18 | C13 | C14 | 117.5° | 120.0° |
| C13 | C18 | H9 | 119.5° | 120.0° |
| C16 | C15 | C14 | 121.2° | 120.0° |
| C16 | C15 | H6 | 119.4° | 119.9° |
| C15 | C16 | H7 | 120.9° | 120.0° |
| C5 | C4 | N3 | 112.0° | 109.5° |
| C5 | C4 | H15 | 108.8° | 109.5° |
| C5 | C4 | H16 | 108.8° | 109.5° |
| C4 | C5 | H17 | 109.5° | 109.5° |
| C4 | C5 | H18 | 109.5° | 109.5° |
| C4 | C5 | H19 | 109.5° | 109.4° |
| C4 | N3 | C6 | 117.2° | 120.0° |
| N3 | C4 | H15 | 108.8° | 109.4° |
| N3 | C4 | H16 | 108.8° | 109.5° |
| N3 | C6 | C8 | 126.6° | 120.0° |
| N3 | C6 | O7 | 119.3° | 120.0° |
| C8 | C13 | C14 | 120.5° | 120.0° |
| C13 | C8 | C9 | 121.6° | 117.5° |
| C13 | C8 | C6 | 113.4° | 115.6° |
| C13 | C8 | C10 | 111.7° | 117.5° |
| C13 | C14 | C15 | 121.0° | 120.1° |
| C13 | C14 | H5 | 119.5° | 120.0° |
| C8 | C9 | C10 | 60.7° | 60.0° |
| C9 | C8 | C6 | 118.0° | 117.5° |
| C9 | C8 | C10 | 59.6° | 60.0° |
| C8 | C9 | H20 | 119.9° | 117.5° |
| C8 | C9 | H21 | 119.9° | 117.5° |
| C9 | C10 | C8 | 59.8° | 60.1° |
| C9 | C10 | C11 | 103.7° | 117.5° |
| C9 | C10 | H1 | 115.5° | 117.5° |
| C10 | C9 | H20 | 119.9° | 117.5° |
| C10 | C9 | H21 | 119.9° | 117.5° |
| C8 | C6 | O7 | 114.0° | 120.0° |
| C6 | C8 | C10 | 122.6° | 117.5° |
| C8 | C10 | C11 | 128.8° | 117.5° |
| C8 | C10 | H1 | 115.2° | 117.5° |
| C15 | C14 | H5 | 119.5° | 119.9° |
| C14 | C15 | H6 | 119.4° | 120.1° |
| C10 | C11 | N12 | 105.2° | 109.5° |
| C11 | C10 | H1 | 115.4° | 115.5° |
| C10 | C11 | H22 | 110.5° | 109.5° |
| C10 | C11 | H23 | 110.5° | 109.4° |
| C11 | N12 | H2 | 109.5° | 111.0° |
| C11 | N12 | H3 | 109.5° | 111.0° |
| N12 | C11 | H22 | 110.5° | 109.5° |
| N12 | C11 | H23 | 110.5° | 109.5° |
| H2 | N12 | H3 | 109.5° | 111.0° |
| H10 | C1 | H11 | 109.5° | 109.4° |
| H10 | C1 | H12 | 109.5° | 109.4° |
| H11 | C1 | H12 | 109.4° | 109.6° |
| H13 | C2 | H14 | 109.4° | 109.5° |
| H15 | C4 | H16 | 109.5° | 109.4° |
| H17 | C5 | H18 | 109.5° | 109.5° |
| H17 | C5 | H19 | 109.5° | 109.5° |
| H18 | C5 | H19 | 109.5° | 109.5° |
| H20 | C9 | H21 | 109.5° | 115.6° |
| H22 | C11 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N3 | H13 | 119.9° | 120.0° |
| C1 | C2 | N3 | H14 | 119.9° | 120.0° |
| C1 | C2 | N3 | C4 | 58.0° | 84.3° |
| C1 | C2 | N3 | C6 | 120.6° | 95.7° |
| C2 | C1 | H10 | H11 | 120.0° | 119.9° |
| C2 | C1 | H10 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.1° |
| C1 | C2 | H13 | H14 | 120.3° | 120.0° |
| C2 | N3 | C4 | C5 | 114.1° | 90.0° |
| C2 | N3 | C4 | C6 | 178.8° | 180.0° |
| C2 | N3 | C6 | C8 | 1.4° | 5.2° |
| C2 | N3 | C6 | O7 | 177.8° | 174.9° |
| N3 | C2 | C1 | H10 | 180.0° | 170.6° |
| N3 | C2 | C1 | H11 | 60.0° | 50.7° |
| N3 | C2 | C1 | H12 | 60.0° | 69.5° |
| N3 | C2 | H13 | H14 | 120.2° | 120.1° |
| C2 | N3 | C4 | H15 | 125.5° | 30.0° |
| C2 | N3 | C4 | H16 | 6.3° | 150.0° |
| C18 | C17 | C16 | H8 | 180.0° | 179.4° |
| C17 | C18 | C13 | H9 | 180.0° | 179.5° |
| C18 | C17 | C16 | C15 | 0.5° | 0.3° |
| C17 | C18 | C13 | C8 | 179.6° | 179.7° |
| C17 | C18 | C13 | C14 | 1.4° | 0.5° |
| C18 | C17 | C16 | H7 | 179.5° | 179.7° |
| C16 | C17 | C18 | C13 | 1.2° | 0.5° |
| C17 | C16 | C15 | H7 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.1° |
| C17 | C16 | C15 | H6 | 179.9° | 180.0° |
| C16 | C17 | C18 | H9 | 178.8° | 180.0° |
| C18 | C13 | C8 | C14 | 178.1° | 179.8° |
| C18 | C13 | C8 | C9 | 74.5° | 67.3° |
| C18 | C13 | C8 | C6 | 75.4° | 147.0° |
| C18 | C13 | C8 | C10 | 141.2° | 1.3° |
| C18 | C13 | C14 | C15 | 1.0° | 0.2° |
| C18 | C13 | C14 | H5 | 179.0° | 179.7° |
| C13 | C18 | C17 | H8 | 178.8° | 180.0° |
| C16 | C15 | C14 | C13 | 0.3° | 0.1° |
| C16 | C15 | C14 | H6 | 180.0° | 179.9° |
| C16 | C15 | C14 | H5 | 179.7° | 180.0° |
| C15 | C16 | C17 | H8 | 179.5° | 179.7° |
| C5 | C4 | N3 | H15 | 120.4° | 120.0° |
| C5 | C4 | N3 | H16 | 120.4° | 120.1° |
| C5 | C4 | N3 | C6 | 64.7° | 90.0° |
| C5 | C4 | H15 | H16 | 118.8° | 120.0° |
| C4 | C5 | H17 | H18 | 120.0° | 120.0° |
| C4 | C5 | H17 | H19 | 120.0° | 120.0° |
| C4 | C5 | H18 | H19 | 120.0° | 119.9° |
| C4 | N3 | C6 | C8 | 177.2° | 174.8° |
| C4 | N3 | C6 | O7 | 0.8° | 5.1° |
| C4 | N3 | C2 | H13 | 61.9° | 35.6° |
| C4 | N3 | C2 | H14 | 178.0° | 155.7° |
| N3 | C4 | H15 | H16 | 118.9° | 120.0° |
| N3 | C4 | C5 | H17 | 180.0° | 180.0° |
| N3 | C4 | C5 | H18 | 60.0° | 59.9° |
| N3 | C4 | C5 | H19 | 60.0° | 60.0° |
| N3 | C6 | C8 | C13 | 101.4° | 57.9° |
| N3 | C6 | C8 | C9 | 49.6° | 156.4° |
| N3 | C6 | C8 | O7 | 176.6° | 180.0° |
| N3 | C6 | C8 | C10 | 119.7° | 87.8° |
| C6 | N3 | C2 | H13 | 119.4° | 144.4° |
| C6 | N3 | C2 | H14 | 0.7° | 24.3° |
| C6 | N3 | C4 | H15 | 55.7° | 150.0° |
| C6 | N3 | C4 | H16 | 175.0° | 30.0° |
| C13 | C8 | C9 | C6 | 148.6° | 145.0° |
| C13 | C8 | C9 | C10 | 98.2° | 107.5° |
| C13 | C8 | C6 | C10 | 138.9° | 145.7° |
| C13 | C8 | C6 | O7 | 75.2° | 122.2° |
| C8 | C13 | C14 | C15 | 179.2° | 180.0° |
| C13 | C8 | C10 | C11 | 161.9° | 145.0° |
| C13 | C8 | C10 | H1 | 8.8° | 0.1° |
| C8 | C13 | C14 | H5 | 0.8° | 0.1° |
| C8 | C13 | C18 | H9 | 0.4° | 0.2° |
| C13 | C8 | C9 | H20 | 152.2° | 0.0° |
| C13 | C8 | C9 | H21 | 11.5° | 145.0° |
| C14 | C13 | C8 | C9 | 107.4° | 113.0° |
| C14 | C13 | C8 | C6 | 102.7° | 32.7° |
| C14 | C13 | C8 | C10 | 40.7° | 178.5° |
| C13 | C14 | C15 | H5 | 180.0° | 179.9° |
| C13 | C14 | C15 | H6 | 179.7° | 180.0° |
| C14 | C13 | C18 | H9 | 178.6° | 180.0° |
| C8 | C9 | C10 | H20 | 109.7° | 107.5° |
| C8 | C9 | C10 | H21 | 109.7° | 107.4° |
| C9 | C8 | C6 | C10 | 70.0° | 68.6° |
| C9 | C8 | C6 | O7 | 133.8° | 23.5° |
| C8 | C9 | C10 | C11 | 127.2° | 107.5° |
| C8 | C9 | C10 | H1 | 105.6° | 107.5° |
| C8 | C9 | H20 | H21 | 144.4° | 145.7° |
| C9 | C10 | C11 | H1 | 127.3° | 145.7° |
| C9 | C10 | C11 | N12 | 55.2° | 117.3° |
| C10 | C9 | H20 | H21 | 144.4° | 145.7° |
| C9 | C10 | C11 | H22 | 174.5° | 122.7° |
| C9 | C10 | C11 | H23 | 64.1° | 2.8° |
| C6 | C8 | C10 | C11 | 22.3° | 0.0° |
| C6 | C8 | C10 | H1 | 148.3° | 145.0° |
| C6 | C8 | C9 | H20 | 3.6° | 145.0° |
| C6 | C8 | C9 | H21 | 137.1° | 0.0° |
| O7 | C6 | C8 | C10 | 63.7° | 92.1° |
| C8 | C10 | C11 | H1 | 170.6° | 145.6° |
| C8 | C10 | C11 | N12 | 117.2° | 174.0° |
| C8 | C10 | C11 | H22 | 123.4° | 54.0° |
| C8 | C10 | C11 | H23 | 2.1° | 65.9° |
| C14 | C15 | C16 | H7 | 180.0° | 180.0° |
| C10 | C11 | N12 | H22 | 119.3° | 120.0° |
| C10 | C11 | N12 | H23 | 119.3° | 120.0° |
| C10 | C11 | N12 | H2 | 180.0° | 180.0° |
| C10 | C11 | N12 | H3 | 60.0° | 56.1° |
| C11 | C10 | C9 | H20 | 17.5° | 145.0° |
| C11 | C10 | C9 | H21 | 123.2° | 0.1° |
| C10 | C11 | H22 | H23 | 122.0° | 119.9° |
| N12 | C11 | C10 | H1 | 72.1° | 28.4° |
| C11 | N12 | H2 | H3 | 120.0° | 123.9° |
| N12 | C11 | H22 | H23 | 121.9° | 120.1° |
| H1 | C10 | C9 | H20 | 144.8° | 0.0° |
| H1 | C10 | C9 | H21 | 4.1° | 145.1° |
| H1 | C10 | C11 | H22 | 47.2° | 91.6° |
| H1 | C10 | C11 | H23 | 168.6° | 148.4° |
| H2 | N12 | C11 | H22 | 60.6° | 60.0° |
| H2 | N12 | C11 | H23 | 60.7° | 60.0° |
| H3 | N12 | C11 | H22 | 179.3° | 176.1° |
| H3 | N12 | C11 | H23 | 59.3° | 63.9° |
| H5 | C14 | C15 | H6 | 0.3° | 0.1° |
| H6 | C15 | C16 | H7 | 0.0° | 0.1° |
| H7 | C16 | C17 | H8 | 0.5° | 0.3° |
| H8 | C17 | C18 | H9 | 1.2° | 0.5° |
| H10 | C1 | H11 | H12 | 120.0° | 120.0° |
| H10 | C1 | C2 | H13 | 60.1° | 50.6° |
| H10 | C1 | C2 | H14 | 60.1° | 69.4° |
| H11 | C1 | C2 | H13 | 59.9° | 69.3° |
| H11 | C1 | C2 | H14 | 179.9° | 170.7° |
| H12 | C1 | C2 | H13 | 179.9° | 170.6° |
| H12 | C1 | C2 | H14 | 59.9° | 50.6° |
| H15 | C4 | C5 | H17 | 59.6° | 60.0° |
| H15 | C4 | C5 | H18 | 60.4° | 60.0° |
| H15 | C4 | C5 | H19 | 179.6° | 180.0° |
| H16 | C4 | C5 | H17 | 59.6° | 59.9° |
| H16 | C4 | C5 | H18 | 179.6° | 180.0° |
| H16 | C4 | C5 | H19 | 60.4° | 60.1° |
| H17 | C5 | H18 | H19 | 120.0° | 120.0° |
