F1J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C5 | sing | 1.51Å | 1.50Å | |
| C15 | O17 | doub | 1.21Å | 1.22Å | |
| C15 | N16 | sing | 1.35Å | 1.33Å | |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | F14 | sing | 1.35Å | 1.34Å | |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | N3 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | N3 | sing | 1.47Å | 1.46Å | |
| C5 | N6 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | N3 | sing | 1.47Å | 1.46Å | |
| C1 | N6 | sing | 1.47Å | 1.45Å | |
| N16 | C18 | sing | 1.46Å | 1.45Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | S20 | sing | 1.81Å | 1.81Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| 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 | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| S20 | HS20 | sing | 1.34Å | 1.30Å | |
| N6 | HN6 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C15 | O17 | 120.3° | 120.0° |
| C5 | C15 | N16 | 116.6° | 120.0° |
| C15 | C5 | C4 | 110.7° | 109.5° |
| C15 | C5 | N6 | 111.9° | 109.5° |
| C15 | C5 | H5 | 107.2° | 109.5° |
| O17 | C15 | N16 | 123.1° | 120.0° |
| C15 | N16 | C18 | 122.7° | 120.0° |
| C15 | N16 | HN16 | 118.6° | 119.9° |
| C13 | C12 | C11 | 120.0° | 120.0° |
| C12 | C13 | C8 | 119.9° | 120.1° |
| C13 | C12 | H12 | 120.0° | 120.1° |
| C12 | C13 | H13 | 120.1° | 120.0° |
| C12 | C11 | C10 | 120.3° | 119.9° |
| C12 | C11 | F14 | 120.1° | 120.0° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C13 | C8 | C9 | 119.9° | 120.0° |
| C13 | C8 | C7 | 119.5° | 120.0° |
| C8 | C13 | H13 | 120.0° | 119.9° |
| C10 | C11 | F14 | 119.6° | 120.0° |
| C11 | C10 | C9 | 119.6° | 120.0° |
| C11 | C10 | H10 | 120.2° | 120.0° |
| C10 | C9 | C8 | 120.3° | 120.0° |
| C9 | C10 | H10 | 120.2° | 120.0° |
| C10 | C9 | H9 | 119.8° | 120.0° |
| C9 | C8 | C7 | 120.6° | 119.9° |
| C8 | C9 | H9 | 119.8° | 120.0° |
| C8 | C7 | N3 | 111.5° | 109.4° |
| C8 | C7 | H7 | 108.8° | 109.6° |
| C8 | C7 | H7A | 108.3° | 109.5° |
| C7 | N3 | C4 | 111.6° | 111.0° |
| C7 | N3 | C2 | 109.5° | 111.0° |
| N3 | C7 | H7 | 108.8° | 109.5° |
| N3 | C7 | H7A | 108.3° | 109.4° |
| C5 | C4 | N3 | 105.2° | 109.4° |
| C4 | C5 | N6 | 110.4° | 109.4° |
| C5 | C4 | H4 | 110.9° | 109.5° |
| C5 | C4 | H4A | 111.9° | 109.5° |
| C4 | C5 | H5 | 108.8° | 109.5° |
| C4 | N3 | C2 | 110.9° | 110.9° |
| N3 | C4 | H4 | 110.9° | 109.5° |
| N3 | C4 | H4A | 111.8° | 109.5° |
| C5 | N6 | C1 | 111.5° | 110.9° |
| N6 | C5 | H5 | 107.6° | 109.5° |
| C5 | N6 | HN6 | 108.8° | 111.0° |
| C1 | C2 | N3 | 104.7° | 109.4° |
| C2 | C1 | N6 | 112.2° | 109.4° |
| C1 | C2 | H2 | 111.1° | 109.5° |
| C1 | C2 | H2A | 112.1° | 109.5° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| C2 | C1 | H1A | 107.9° | 109.5° |
| N3 | C2 | H2 | 111.1° | 109.4° |
| N3 | C2 | H2A | 112.1° | 109.5° |
| N6 | C1 | H1 | 108.6° | 109.5° |
| N6 | C1 | H1A | 108.0° | 109.5° |
| C1 | N6 | HN6 | 108.8° | 111.0° |
| N16 | C18 | C19 | 112.2° | 109.5° |
| C18 | N16 | HN16 | 118.7° | 120.1° |
| N16 | C18 | H18 | 108.6° | 109.5° |
| N16 | C18 | H18A | 108.0° | 109.5° |
| C18 | C19 | S20 | 109.3° | 109.5° |
| C19 | C18 | H18 | 108.6° | 109.4° |
| C19 | C18 | H18A | 108.0° | 109.5° |
| C18 | C19 | H19 | 109.6° | 109.4° |
| C18 | C19 | H19A | 109.6° | 109.5° |
| S20 | C19 | H19 | 109.5° | 109.5° |
| S20 | C19 | H19A | 109.6° | 109.5° |
| C19 | S20 | HS20 | 109.5° | 103.0° |
| H7 | C7 | H7A | 111.1° | 109.5° |
| H4 | C4 | H4A | 106.2° | 109.5° |
| H2 | C2 | H2A | 105.8° | 109.5° |
| H1 | C1 | H1A | 111.7° | 109.5° |
| H18 | C18 | H18A | 111.6° | 109.5° |
| H19 | C19 | H19A | 109.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C15 | O17 | N16 | 179.7° | 179.7° |
| C15 | C5 | C4 | N6 | 124.5° | 119.9° |
| C15 | C5 | C4 | H5 | 117.6° | 120.1° |
| C15 | C5 | C4 | N3 | 175.6° | 178.3° |
| C15 | C5 | N6 | H5 | 117.5° | 120.1° |
| C15 | C5 | N6 | C1 | 179.1° | 179.3° |
| C5 | C15 | N16 | C18 | 177.8° | 179.9° |
| C15 | C5 | C4 | H4 | 64.4° | 58.4° |
| C15 | C5 | C4 | H4A | 54.0° | 61.7° |
| C5 | C15 | N16 | HN16 | 2.2° | 0.0° |
| C15 | C5 | N6 | HN6 | 60.9° | 56.9° |
| O17 | C15 | C5 | C4 | 101.9° | 100.0° |
| O17 | C15 | C5 | N6 | 21.8° | 19.8° |
| O17 | C15 | N16 | C18 | 2.5° | 0.3° |
| O17 | C15 | C5 | H5 | 139.5° | 139.9° |
| O17 | C15 | N16 | HN16 | 177.5° | 179.7° |
| N16 | C15 | C5 | C4 | 78.4° | 80.3° |
| N16 | C15 | C5 | N6 | 158.0° | 159.8° |
| C15 | N16 | C18 | HN16 | 180.0° | 179.9° |
| C15 | N16 | C18 | C19 | 88.0° | 180.0° |
| N16 | C15 | C5 | H5 | 40.2° | 39.7° |
| C15 | N16 | C18 | H18 | 32.0° | 60.1° |
| C15 | N16 | C18 | H18A | 153.1° | 60.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.8° |
| C12 | C13 | C8 | H13 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C13 | C12 | C11 | F14 | 179.9° | 180.0° |
| C12 | C13 | C8 | C9 | 0.1° | 0.0° |
| C12 | C13 | C8 | C7 | 180.0° | 179.9° |
| C11 | C12 | C13 | C8 | 0.1° | 0.0° |
| C12 | C11 | C10 | F14 | 179.8° | 179.9° |
| C12 | C11 | C10 | C9 | 0.1° | 0.1° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C11 | C10 | H10 | 179.9° | 180.0° |
| C13 | C8 | C9 | C10 | 0.3° | 0.1° |
| C13 | C8 | C9 | C7 | 179.9° | 179.9° |
| C13 | C8 | C7 | N3 | 138.8° | 90.0° |
| C8 | C13 | C12 | H12 | 179.9° | 179.8° |
| C13 | C8 | C9 | H9 | 179.6° | 180.0° |
| C13 | C8 | C7 | H7 | 18.8° | 150.0° |
| C13 | C8 | C7 | H7A | 102.0° | 29.9° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.3° | 0.1° |
| C10 | C11 | C12 | H12 | 179.9° | 179.7° |
| C11 | C10 | C9 | H9 | 179.6° | 180.0° |
| F14 | C11 | C10 | C9 | 179.7° | 180.0° |
| F14 | C11 | C12 | H12 | 0.1° | 0.2° |
| F14 | C11 | C10 | H10 | 0.3° | 0.1° |
| C10 | C9 | C8 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 179.8° | 180.0° |
| C9 | C8 | C7 | N3 | 41.3° | 90.1° |
| C9 | C8 | C13 | H13 | 179.9° | 180.0° |
| C8 | C9 | C10 | H10 | 179.7° | 180.0° |
| C9 | C8 | C7 | H7 | 161.3° | 29.9° |
| C9 | C8 | C7 | H7A | 77.8° | 150.0° |
| C8 | C7 | N3 | H7 | 120.0° | 120.1° |
| C8 | C7 | N3 | H7A | 119.1° | 119.9° |
| C8 | C7 | N3 | C4 | 78.3° | 170.0° |
| C8 | C7 | N3 | C2 | 158.6° | 66.2° |
| C7 | C8 | C13 | H13 | 0.0° | 0.1° |
| C7 | C8 | C9 | H9 | 0.2° | 0.1° |
| C8 | C7 | H7 | H7A | 119.1° | 120.1° |
| C7 | N3 | C4 | C5 | 169.9° | 176.8° |
| C7 | N3 | C4 | C2 | 122.3° | 123.9° |
| C7 | N3 | C2 | C1 | 170.2° | 176.8° |
| N3 | C7 | H7 | H7A | 119.2° | 120.0° |
| C7 | N3 | C4 | H4 | 70.1° | 63.2° |
| C7 | N3 | C4 | H4A | 48.2° | 56.8° |
| C7 | N3 | C2 | H2 | 50.2° | 56.8° |
| C7 | N3 | C2 | H2A | 68.0° | 63.2° |
| C5 | C4 | N3 | H4 | 120.0° | 120.0° |
| C5 | C4 | N3 | H4A | 121.6° | 120.0° |
| C4 | C5 | N6 | H5 | 118.7° | 120.0° |
| C5 | C4 | N3 | C2 | 67.9° | 59.3° |
| C4 | C5 | N6 | C1 | 55.3° | 59.3° |
| C5 | C4 | H4 | H4A | 121.8° | 120.0° |
| C4 | C5 | N6 | HN6 | 175.3° | 176.8° |
| N3 | C4 | C5 | N6 | 59.9° | 58.4° |
| C4 | N3 | C2 | C1 | 66.3° | 59.3° |
| C4 | N3 | C7 | H7 | 41.7° | 50.0° |
| C4 | N3 | C7 | H7A | 162.6° | 70.1° |
| N3 | C4 | H4 | H4A | 121.7° | 120.1° |
| N3 | C4 | C5 | H5 | 58.0° | 61.6° |
| C4 | N3 | C2 | H2 | 173.7° | 179.3° |
| C4 | N3 | C2 | H2A | 55.5° | 60.7° |
| C5 | N6 | C1 | C2 | 55.0° | 59.3° |
| C5 | N6 | C1 | HN6 | 120.0° | 123.9° |
| N6 | C5 | C4 | H4 | 60.1° | 61.6° |
| N6 | C5 | C4 | H4A | 178.5° | 178.4° |
| C5 | N6 | C1 | H1 | 175.0° | 179.3° |
| C5 | N6 | C1 | H1A | 63.8° | 60.6° |
| C1 | C2 | N3 | H2 | 120.0° | 120.0° |
| C1 | C2 | N3 | H2A | 121.8° | 120.0° |
| C2 | C1 | N6 | H1 | 120.0° | 120.0° |
| C2 | C1 | N6 | H1A | 118.8° | 119.9° |
| C1 | C2 | H2 | H2A | 121.9° | 120.1° |
| C2 | C1 | H1 | H1A | 118.8° | 120.0° |
| C2 | C1 | N6 | HN6 | 175.0° | 176.8° |
| N3 | C2 | C1 | N6 | 58.2° | 58.4° |
| C2 | N3 | C7 | H7 | 81.4° | 173.7° |
| C2 | N3 | C7 | H7A | 39.5° | 53.7° |
| C2 | N3 | C4 | H4 | 52.1° | 60.7° |
| C2 | N3 | C4 | H4A | 170.5° | 179.3° |
| N3 | C2 | H2 | H2A | 122.0° | 120.0° |
| N3 | C2 | C1 | H1 | 178.2° | 178.4° |
| N3 | C2 | C1 | H1A | 60.7° | 61.5° |
| C1 | N6 | C5 | H5 | 63.3° | 60.6° |
| N6 | C1 | C2 | H2 | 178.2° | 178.4° |
| N6 | C1 | C2 | H2A | 63.6° | 61.6° |
| N6 | C1 | H1 | H1A | 118.9° | 120.1° |
| N16 | C18 | C19 | H18 | 120.0° | 119.9° |
| N16 | C18 | C19 | H18A | 118.9° | 120.0° |
| N16 | C18 | C19 | S20 | 83.7° | 180.0° |
| N16 | C18 | H18 | H18A | 118.9° | 120.1° |
| N16 | C18 | C19 | H19 | 36.3° | 60.1° |
| N16 | C18 | C19 | H19A | 156.2° | 60.0° |
| C18 | C19 | S20 | H19 | 120.0° | 119.9° |
| C18 | C19 | S20 | H19A | 120.1° | 120.0° |
| C19 | C18 | N16 | HN16 | 92.0° | 0.1° |
| C19 | C18 | H18 | H18A | 118.9° | 120.0° |
| C18 | C19 | H19 | H19A | 120.1° | 120.0° |
| C18 | C19 | S20 | HS20 | 69.5° | 180.0° |
| S20 | C19 | C18 | H18 | 156.2° | 60.0° |
| S20 | C19 | C18 | H18A | 35.1° | 60.0° |
| S20 | C19 | H19 | H19A | 120.1° | 120.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.2° |
| H10 | C10 | C9 | H9 | 0.3° | 0.1° |
| H4 | C4 | C5 | H5 | 178.0° | 178.4° |
| H4A | C4 | C5 | H5 | 63.6° | 58.4° |
| H5 | C5 | N6 | HN6 | 56.6° | 63.2° |
| H2 | C2 | C1 | H1 | 61.8° | 61.7° |
| H2 | C2 | C1 | H1A | 59.4° | 58.4° |
| H2A | C2 | C1 | H1 | 56.3° | 58.4° |
| H2A | C2 | C1 | H1A | 177.5° | 178.5° |
| H1 | C1 | N6 | HN6 | 65.0° | 56.8° |
| H1A | C1 | N6 | HN6 | 56.2° | 63.3° |
| HN16 | N16 | C18 | H18 | 148.0° | 120.0° |
| HN16 | N16 | C18 | H18A | 26.9° | 119.9° |
| H18 | C18 | C19 | H19 | 83.7° | 180.0° |
| H18 | C18 | C19 | H19A | 36.2° | 60.0° |
| H18A | C18 | C19 | H19 | 155.1° | 60.0° |
| H18A | C18 | C19 | H19A | 85.0° | 180.0° |
| H19 | C19 | S20 | HS20 | 50.5° | 60.0° |
| H19A | C19 | S20 | HS20 | 170.4° | 60.0° |
