FJZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.34Å | 1.37Å | Aromatic |
| C1 | C3 | doub | 1.35Å | 1.40Å | Aromatic |
| N1 | C2 | doub | 1.30Å | 1.33Å | Aromatic |
| S1 | C9 | doub | 1.71Å | 1.80Å | |
| C2 | N2 | sing | 1.35Å | 1.36Å | Aromatic |
| N2 | C3 | sing | 1.37Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| N3 | C7 | sing | 1.47Å | 1.49Å | |
| N3 | C8 | sing | 1.47Å | 1.51Å | |
| N3 | C9 | sing | 1.35Å | 1.32Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | C6 | sing | 1.53Å | 1.56Å | |
| N4 | C9 | sing | 1.35Å | 1.30Å | |
| N4 | C10 | sing | 1.47Å | 1.47Å | |
| C5 | C7 | sing | 1.53Å | 1.58Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.56Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C3 | 110.7° | 108.0° |
| C1 | N1 | C2 | 106.8° | 109.2° |
| N1 | C1 | H1 | 124.6° | 125.9° |
| C1 | C3 | N2 | 103.4° | 106.8° |
| C1 | C3 | C4 | 128.8° | 126.6° |
| C3 | C1 | H1 | 124.6° | 126.0° |
| N1 | C2 | N2 | 109.6° | 108.7° |
| N1 | C2 | H2 | 125.2° | 125.6° |
| S1 | C9 | N3 | 120.5° | 120.0° |
| S1 | C9 | N4 | 116.6° | 120.0° |
| C2 | N2 | C3 | 109.5° | 107.2° |
| N2 | C2 | H2 | 125.2° | 125.7° |
| C2 | N2 | HN2 | 125.2° | 126.4° |
| N2 | C3 | C4 | 127.8° | 126.6° |
| C3 | N2 | HN2 | 125.2° | 126.3° |
| C3 | C4 | C5 | 111.8° | 109.5° |
| C3 | C4 | C6 | 109.0° | 109.5° |
| C3 | C4 | H4 | 108.3° | 109.4° |
| C7 | N3 | C8 | 116.8° | 118.8° |
| C7 | N3 | C9 | 118.7° | 120.6° |
| N3 | C7 | C5 | 108.6° | 108.8° |
| N3 | C7 | H7 | 109.8° | 109.6° |
| N3 | C7 | H7A | 109.8° | 109.5° |
| C8 | N3 | C9 | 122.4° | 120.6° |
| N3 | C8 | C6 | 109.5° | 108.8° |
| N3 | C8 | H8 | 109.5° | 109.6° |
| N3 | C8 | H8A | 109.5° | 109.6° |
| N3 | C9 | N4 | 122.8° | 120.0° |
| C5 | C4 | C6 | 109.9° | 109.6° |
| C4 | C5 | C7 | 109.9° | 109.3° |
| C5 | C4 | H4 | 107.5° | 109.5° |
| C4 | C5 | H5 | 109.3° | 109.5° |
| C4 | C5 | H5A | 109.3° | 109.4° |
| C4 | C6 | C8 | 107.9° | 109.3° |
| C6 | C4 | H4 | 110.3° | 109.4° |
| C4 | C6 | H6 | 110.0° | 109.5° |
| C4 | C6 | H6A | 110.0° | 109.5° |
| C9 | N4 | C10 | 125.0° | 120.0° |
| C9 | N4 | HN4 | 117.5° | 120.0° |
| N4 | C10 | C11 | 109.7° | 109.5° |
| N4 | C10 | C12 | 111.3° | 109.4° |
| C10 | N4 | HN4 | 117.5° | 120.0° |
| N4 | C10 | H10 | 108.9° | 109.4° |
| C7 | C5 | H5 | 109.4° | 109.5° |
| C7 | C5 | H5A | 109.3° | 109.5° |
| C5 | C7 | H7 | 109.7° | 109.6° |
| C5 | C7 | H7A | 109.8° | 109.6° |
| C8 | C6 | H6 | 110.0° | 109.5° |
| C8 | C6 | H6A | 110.0° | 109.5° |
| C6 | C8 | H8 | 109.5° | 109.6° |
| C6 | C8 | H8A | 109.5° | 109.6° |
| C11 | C10 | C12 | 111.8° | 109.5° |
| C10 | C11 | C13 | 114.3° | 109.5° |
| C11 | C10 | H10 | 108.4° | 109.5° |
| C10 | C11 | H11 | 107.9° | 109.5° |
| C10 | C11 | H11A | 107.9° | 109.5° |
| C10 | C12 | C14 | 110.6° | 109.5° |
| C12 | C10 | H10 | 106.6° | 109.4° |
| C10 | C12 | H12 | 109.1° | 109.5° |
| C10 | C12 | H12A | 109.1° | 109.5° |
| C11 | C13 | C15 | 106.3° | 109.5° |
| C13 | C11 | H11 | 107.9° | 109.5° |
| C13 | C11 | H11A | 107.9° | 109.4° |
| C11 | C13 | H13 | 110.5° | 109.5° |
| C11 | C13 | H13A | 110.6° | 109.5° |
| C12 | C14 | C15 | 115.4° | 109.5° |
| C14 | C12 | H12 | 109.1° | 109.5° |
| C14 | C12 | H12A | 109.1° | 109.5° |
| C12 | C14 | H14 | 107.5° | 109.4° |
| C12 | C14 | H14A | 107.5° | 109.5° |
| C13 | C15 | C14 | 111.1° | 109.5° |
| C15 | C13 | H13 | 110.5° | 109.4° |
| C15 | C13 | H13A | 110.5° | 109.5° |
| C13 | C15 | H15 | 108.9° | 109.5° |
| C13 | C15 | H15A | 109.0° | 109.5° |
| C15 | C14 | H14 | 107.6° | 109.5° |
| C15 | C14 | H14A | 107.6° | 109.5° |
| C14 | C15 | H15 | 108.9° | 109.5° |
| C14 | C15 | H15A | 108.9° | 109.5° |
| H5 | C5 | H5A | 109.6° | 109.6° |
| H6 | C6 | H6A | 108.9° | 109.6° |
| H7 | C7 | H7A | 109.2° | 109.8° |
| H8 | C8 | H8A | 109.5° | 109.7° |
| H11 | C11 | H11A | 111.0° | 109.5° |
| H12 | C12 | H12A | 109.8° | 109.4° |
| H13 | C13 | H13A | 108.4° | 109.5° |
| H14 | C14 | H14A | 111.3° | 109.5° |
| H15 | C15 | H15A | 110.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C3 | H1 | 180.0° | 179.7° |
| C1 | N1 | C2 | N2 | 0.3° | 0.0° |
| N1 | C1 | C3 | N2 | 0.7° | 0.0° |
| N1 | C1 | C3 | C4 | 179.0° | 180.0° |
| C1 | N1 | C2 | H2 | 179.7° | 180.0° |
| C3 | C1 | N1 | C2 | 0.3° | 0.0° |
| C1 | C3 | N2 | C2 | 0.8° | 0.0° |
| C1 | C3 | N2 | C4 | 178.3° | 180.0° |
| C1 | C3 | C4 | C5 | 34.8° | 35.0° |
| C1 | C3 | C4 | C6 | 156.5° | 85.1° |
| C1 | C3 | N2 | HN2 | 179.2° | 179.9° |
| C1 | C3 | C4 | H4 | 83.5° | 155.0° |
| N1 | C2 | N2 | H2 | 180.0° | 180.0° |
| N1 | C2 | N2 | C3 | 0.7° | 0.0° |
| C2 | N1 | C1 | H1 | 179.7° | 179.7° |
| N1 | C2 | N2 | HN2 | 179.3° | 179.9° |
| S1 | C9 | N3 | C7 | 160.8° | 174.8° |
| S1 | C9 | N3 | C8 | 2.0° | 5.4° |
| S1 | C9 | N3 | N4 | 179.3° | 179.9° |
| S1 | C9 | N4 | C10 | 1.3° | 5.0° |
| S1 | C9 | N4 | HN4 | 178.7° | 175.1° |
| C2 | N2 | C3 | HN2 | 180.0° | 179.9° |
| C2 | N2 | C3 | C4 | 179.2° | 180.0° |
| N2 | C3 | C4 | C5 | 147.3° | 145.0° |
| N2 | C3 | C4 | C6 | 25.6° | 94.9° |
| N2 | C3 | C1 | H1 | 179.3° | 179.7° |
| C3 | N2 | C2 | H2 | 179.3° | 180.0° |
| N2 | C3 | C4 | H4 | 94.5° | 25.0° |
| C3 | C4 | C5 | C6 | 121.2° | 120.1° |
| C3 | C4 | C5 | H4 | 118.8° | 119.9° |
| C3 | C4 | C6 | H4 | 118.8° | 119.9° |
| C3 | C4 | C5 | C7 | 178.5° | 178.6° |
| C3 | C4 | C6 | C8 | 175.3° | 178.6° |
| C4 | C3 | C1 | H1 | 1.0° | 0.2° |
| C4 | C3 | N2 | HN2 | 0.9° | 0.1° |
| C3 | C4 | C5 | H5 | 58.5° | 58.7° |
| C3 | C4 | C5 | H5A | 61.5° | 61.4° |
| C3 | C4 | C6 | H6 | 64.7° | 61.5° |
| C3 | C4 | C6 | H6A | 55.3° | 58.6° |
| C7 | N3 | C8 | C9 | 163.1° | 179.8° |
| N3 | C7 | C5 | C4 | 54.0° | 54.6° |
| C7 | N3 | C9 | N4 | 18.5° | 5.3° |
| N3 | C7 | C5 | H7 | 120.0° | 119.7° |
| N3 | C7 | C5 | H7A | 120.0° | 119.7° |
| C7 | N3 | C8 | C6 | 57.1° | 53.6° |
| N3 | C7 | C5 | H5 | 174.0° | 174.5° |
| N3 | C7 | C5 | H5A | 66.0° | 65.3° |
| N3 | C7 | H7 | H7A | 120.4° | 120.3° |
| C7 | N3 | C8 | H8 | 62.9° | 66.2° |
| C7 | N3 | C8 | H8A | 177.1° | 173.4° |
| N3 | C8 | C6 | C4 | 57.6° | 54.6° |
| C8 | N3 | C9 | N4 | 178.7° | 174.5° |
| C8 | N3 | C7 | C5 | 54.0° | 53.6° |
| N3 | C8 | C6 | H8 | 120.0° | 119.7° |
| N3 | C8 | C6 | H8A | 120.0° | 119.8° |
| N3 | C8 | C6 | H6 | 62.4° | 65.3° |
| N3 | C8 | C6 | H6A | 177.6° | 174.5° |
| C8 | N3 | C7 | H7 | 174.0° | 173.4° |
| C8 | N3 | C7 | H7A | 66.0° | 66.2° |
| N3 | C8 | H8 | H8A | 120.0° | 120.4° |
| N3 | C9 | N4 | C10 | 178.0° | 175.0° |
| C9 | N3 | C7 | C5 | 142.2° | 126.6° |
| C9 | N3 | C8 | C6 | 139.8° | 126.7° |
| N3 | C9 | N4 | HN4 | 2.0° | 5.0° |
| C9 | N3 | C7 | H7 | 22.2° | 6.8° |
| C9 | N3 | C7 | H7A | 97.8° | 113.6° |
| C9 | N3 | C8 | H8 | 100.2° | 113.6° |
| C9 | N3 | C8 | H8A | 19.8° | 6.8° |
| C5 | C4 | C6 | H4 | 118.3° | 120.0° |
| C4 | C5 | C7 | H5 | 120.0° | 119.9° |
| C4 | C5 | C7 | H5A | 120.0° | 119.9° |
| C5 | C4 | C6 | C8 | 61.9° | 61.3° |
| C4 | C5 | H5 | H5A | 119.8° | 120.0° |
| C5 | C4 | C6 | H6 | 58.2° | 58.6° |
| C5 | C4 | C6 | H6A | 178.1° | 178.7° |
| C4 | C5 | C7 | H7 | 174.0° | 174.4° |
| C4 | C5 | C7 | H7A | 66.0° | 65.1° |
| C6 | C4 | C5 | C7 | 60.3° | 61.4° |
| C4 | C6 | C8 | H6 | 120.0° | 119.9° |
| C4 | C6 | C8 | H6A | 120.0° | 120.0° |
| C6 | C4 | C5 | H5 | 179.7° | 178.7° |
| C6 | C4 | C5 | H5A | 59.7° | 58.6° |
| C4 | C6 | H6 | H6A | 120.6° | 120.1° |
| C4 | C6 | C8 | H8 | 62.3° | 65.2° |
| C4 | C6 | C8 | H8A | 177.6° | 174.4° |
| C9 | N4 | C10 | HN4 | 180.0° | 180.0° |
| C9 | N4 | C10 | C11 | 86.5° | 155.0° |
| C9 | N4 | C10 | C12 | 149.2° | 85.0° |
| C9 | N4 | C10 | H10 | 31.9° | 34.9° |
| N4 | C10 | C11 | C12 | 124.0° | 120.0° |
| N4 | C10 | C11 | H10 | 118.7° | 120.0° |
| N4 | C10 | C12 | H10 | 118.6° | 119.9° |
| N4 | C10 | C11 | C13 | 67.5° | 180.0° |
| N4 | C10 | C12 | C14 | 75.1° | 179.9° |
| N4 | C10 | C11 | H11 | 172.4° | 60.0° |
| N4 | C10 | C11 | H11A | 52.4° | 60.0° |
| N4 | C10 | C12 | H12 | 44.9° | 60.0° |
| N4 | C10 | C12 | H12A | 164.9° | 59.9° |
| C7 | C5 | C4 | H4 | 59.7° | 58.6° |
| C7 | C5 | H5 | H5A | 119.8° | 120.2° |
| C5 | C7 | H7 | H7A | 120.4° | 120.4° |
| C8 | C6 | C4 | H4 | 56.4° | 58.7° |
| C8 | C6 | H6 | H6A | 120.6° | 120.1° |
| C6 | C8 | H8 | H8A | 120.0° | 120.4° |
| C11 | C10 | C12 | H10 | 118.3° | 120.1° |
| C10 | C11 | C13 | H11 | 120.0° | 120.1° |
| C10 | C11 | C13 | H11A | 120.0° | 120.0° |
| C11 | C10 | C12 | C14 | 47.9° | 60.0° |
| C10 | C11 | C13 | C15 | 59.4° | 60.0° |
| C11 | C10 | N4 | HN4 | 93.5° | 25.0° |
| C10 | C11 | H11 | H11A | 118.0° | 120.0° |
| C11 | C10 | C12 | H12 | 167.9° | 60.0° |
| C11 | C10 | C12 | H12A | 72.1° | 180.0° |
| C10 | C11 | C13 | H13 | 179.4° | 60.0° |
| C10 | C11 | C13 | H13A | 60.6° | 180.0° |
| C12 | C10 | C11 | C13 | 56.4° | 60.0° |
| C10 | C12 | C14 | H12 | 120.0° | 120.0° |
| C10 | C12 | C14 | H12A | 120.0° | 120.0° |
| C10 | C12 | C14 | C15 | 49.4° | 60.0° |
| C12 | C10 | N4 | HN4 | 30.8° | 95.0° |
| C12 | C10 | C11 | H11 | 63.6° | 180.0° |
| C12 | C10 | C11 | H11A | 176.4° | 60.0° |
| C10 | C12 | H12 | H12A | 119.5° | 120.0° |
| C10 | C12 | C14 | H14 | 70.7° | 180.0° |
| C10 | C12 | C14 | H14A | 169.4° | 60.0° |
| C11 | C13 | C15 | H13 | 120.0° | 120.0° |
| C11 | C13 | C15 | H13A | 120.0° | 120.0° |
| C11 | C13 | C15 | C14 | 56.9° | 60.0° |
| C13 | C11 | C10 | H10 | 173.7° | 60.0° |
| C13 | C11 | H11 | H11A | 118.0° | 119.9° |
| C11 | C13 | H13 | H13A | 121.3° | 120.0° |
| C11 | C13 | C15 | H15 | 63.1° | 180.0° |
| C11 | C13 | C15 | H15A | 176.8° | 60.0° |
| C12 | C14 | C15 | C13 | 55.5° | 60.0° |
| C12 | C14 | C15 | H14 | 120.0° | 120.0° |
| C12 | C14 | C15 | H14A | 120.0° | 120.0° |
| C14 | C12 | C10 | H10 | 166.3° | 60.0° |
| C14 | C12 | H12 | H12A | 119.6° | 120.0° |
| C12 | C14 | H14 | H14A | 117.5° | 120.0° |
| C12 | C14 | C15 | H15 | 64.5° | 180.0° |
| C12 | C14 | C15 | H15A | 175.5° | 59.9° |
| C13 | C15 | C14 | H15 | 120.0° | 120.0° |
| C13 | C15 | C14 | H15A | 120.0° | 120.0° |
| C15 | C13 | C11 | H11 | 60.6° | 180.0° |
| C15 | C13 | C11 | H11A | 179.3° | 60.0° |
| C15 | C13 | H13 | H13A | 121.3° | 120.0° |
| C13 | C15 | C14 | H14 | 64.5° | 180.0° |
| C13 | C15 | C14 | H14A | 175.5° | 60.0° |
| C13 | C15 | H15 | H15A | 119.4° | 120.0° |
| C15 | C14 | C12 | H12 | 169.4° | 60.0° |
| C15 | C14 | C12 | H12A | 70.6° | 180.0° |
| C14 | C15 | C13 | H13 | 176.8° | 60.0° |
| C14 | C15 | C13 | H13A | 63.1° | 180.0° |
| C15 | C14 | H14 | H14A | 117.6° | 120.0° |
| C14 | C15 | H15 | H15A | 119.3° | 120.0° |
| H2 | C2 | N2 | HN2 | 0.7° | 0.1° |
| H4 | C4 | C5 | H5 | 60.3° | 61.3° |
| H4 | C4 | C5 | H5A | 179.8° | 178.6° |
| H4 | C4 | C6 | H6 | 176.5° | 178.6° |
| H4 | C4 | C6 | H6A | 63.5° | 61.3° |
| HN4 | N4 | C10 | H10 | 148.1° | 145.0° |
| H5 | C5 | C7 | H7 | 66.0° | 65.7° |
| H5 | C5 | C7 | H7A | 54.0° | 54.8° |
| H5A | C5 | C7 | H7 | 54.0° | 54.5° |
| H5A | C5 | C7 | H7A | 174.0° | 175.0° |
| H6 | C6 | C8 | H8 | 177.6° | 174.9° |
| H6 | C6 | C8 | H8A | 57.6° | 54.5° |
| H6A | C6 | C8 | H8 | 57.6° | 54.8° |
| H6A | C6 | C8 | H8A | 62.4° | 65.7° |
| H10 | C10 | C11 | H11 | 53.7° | 60.0° |
| H10 | C10 | C11 | H11A | 66.3° | 180.0° |
| H10 | C10 | C12 | H12 | 73.7° | 179.9° |
| H10 | C10 | C12 | H12A | 46.3° | 60.0° |
| H11 | C11 | C13 | H13 | 59.3° | 60.1° |
| H11 | C11 | C13 | H13A | 179.4° | 60.0° |
| H11A | C11 | C13 | H13 | 60.7° | 180.0° |
| H11A | C11 | C13 | H13A | 59.4° | 60.0° |
| H12 | C12 | C14 | H14 | 49.4° | 60.0° |
| H12 | C12 | C14 | H14A | 70.6° | 180.0° |
| H12A | C12 | C14 | H14 | 169.4° | 60.0° |
| H12A | C12 | C14 | H14A | 49.4° | 60.0° |
| H13 | C13 | C15 | H15 | 56.9° | 60.0° |
| H13 | C13 | C15 | H15A | 63.2° | 179.9° |
| H13A | C13 | C15 | H15 | 176.9° | 60.0° |
| H13A | C13 | C15 | H15A | 56.9° | 60.0° |
| H14 | C14 | C15 | H15 | 175.5° | 60.0° |
| H14 | C14 | C15 | H15A | 55.5° | 60.0° |
| H14A | C14 | C15 | H15 | 55.5° | 60.0° |
| H14A | C14 | C15 | H15A | 64.5° | 180.0° |
