FSZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N3 | sing | 1.47Å | 1.49Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| N3 | C2 | sing | 1.47Å | 1.49Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C6 | C1 | sing | 1.53Å | 1.54Å | |
| C6 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| F15 | C14 | sing | 1.40Å | 1.33Å | |
| F17 | C14 | sing | 1.40Å | 1.32Å | |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C14 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | F16 | sing | 1.40Å | 1.32Å | |
| C8 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | N7 | sing | 1.40Å | 1.43Å | |
| N7 | C18 | sing | 1.38Å | 1.36Å | |
| N19 | C18 | doub | 1.30Å | 1.32Å | |
| C18 | N20 | sing | 1.38Å | 1.32Å | |
| N3 | H1 | sing | 1.01Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| N19 | H15 | sing | 0.97Å | 1.00Å | |
| N20 | H16 | sing | 0.97Å | 1.00Å | |
| N20 | H17 | sing | 0.97Å | 1.00Å | |
| N7 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C4 | C5 | 110.5° | 109.5° |
| C4 | N3 | C2 | 111.6° | 111.2° |
| C4 | N3 | H1 | 108.9° | 111.0° |
| N3 | C4 | H3 | 109.2° | 109.5° |
| N3 | C4 | H4 | 109.2° | 109.5° |
| C4 | C5 | C6 | 111.4° | 109.2° |
| C5 | C4 | H3 | 109.2° | 109.5° |
| C5 | C4 | H4 | 109.2° | 109.4° |
| C4 | C5 | H5 | 109.0° | 109.6° |
| C4 | C5 | H6 | 109.0° | 109.5° |
| N3 | C2 | C1 | 110.4° | 109.5° |
| C2 | N3 | H1 | 108.9° | 111.0° |
| N3 | C2 | H12 | 109.2° | 109.5° |
| N3 | C2 | H13 | 109.2° | 109.5° |
| C5 | C6 | C1 | 109.6° | 109.2° |
| C5 | C6 | C10 | 113.6° | 109.5° |
| C6 | C5 | H5 | 109.0° | 109.5° |
| C6 | C5 | H6 | 109.0° | 109.5° |
| C5 | C6 | H7 | 106.8° | 109.5° |
| C2 | C1 | C6 | 111.3° | 109.3° |
| C2 | C1 | H9 | 109.0° | 109.5° |
| C2 | C1 | H10 | 109.0° | 109.6° |
| C1 | C2 | H12 | 109.2° | 109.4° |
| C1 | C2 | H13 | 109.3° | 109.4° |
| C1 | C6 | C10 | 112.6° | 109.6° |
| C1 | C6 | H7 | 106.8° | 109.5° |
| C6 | C1 | H9 | 109.0° | 109.5° |
| C6 | C1 | H10 | 109.0° | 109.5° |
| C6 | C10 | C11 | 121.1° | 120.0° |
| C6 | C10 | C9 | 120.5° | 119.9° |
| C10 | C6 | H7 | 107.0° | 109.5° |
| C11 | C10 | C9 | 118.3° | 120.1° |
| C10 | C11 | C12 | 121.1° | 120.1° |
| C10 | C11 | H11 | 119.4° | 119.9° |
| C10 | C9 | C8 | 121.0° | 119.9° |
| C10 | C9 | H14 | 119.5° | 120.1° |
| C11 | C12 | C14 | 119.9° | 120.0° |
| C11 | C12 | C13 | 119.8° | 120.1° |
| C12 | C11 | H11 | 119.4° | 120.0° |
| F15 | C14 | F17 | 106.2° | 109.5° |
| F15 | C14 | C12 | 112.9° | 109.5° |
| F15 | C14 | F16 | 105.6° | 109.5° |
| F17 | C14 | C12 | 112.8° | 109.5° |
| F17 | C14 | F16 | 105.3° | 109.5° |
| C9 | C8 | C13 | 120.2° | 119.9° |
| C9 | C8 | N7 | 118.7° | 120.0° |
| C8 | C9 | H14 | 119.5° | 120.0° |
| C14 | C12 | C13 | 120.3° | 119.9° |
| C12 | C14 | F16 | 113.3° | 109.5° |
| C12 | C13 | C8 | 119.5° | 119.9° |
| C12 | C13 | H8 | 120.2° | 120.0° |
| C13 | C8 | N7 | 121.0° | 120.1° |
| C8 | C13 | H8 | 120.2° | 120.1° |
| C8 | N7 | C18 | 123.8° | 120.0° |
| C8 | N7 | H18 | 118.1° | 120.0° |
| N7 | C18 | N19 | 120.9° | 120.0° |
| N7 | C18 | N20 | 118.4° | 120.0° |
| C18 | N7 | H18 | 118.1° | 120.0° |
| N19 | C18 | N20 | 120.6° | 120.0° |
| C18 | N19 | H15 | 112.0° | 120.0° |
| C18 | N20 | H16 | 120.0° | 120.0° |
| C18 | N20 | H17 | 120.0° | 120.0° |
| H3 | C4 | H4 | 109.5° | 109.4° |
| H5 | C5 | H6 | 109.5° | 109.6° |
| H9 | C1 | H10 | 109.4° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.5° |
| H16 | N20 | H17 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C4 | C5 | H3 | 120.1° | 120.1° |
| N3 | C4 | C5 | H4 | 120.2° | 120.0° |
| C4 | N3 | C2 | H1 | 120.3° | 124.1° |
| N3 | C4 | C5 | C6 | 56.5° | 59.2° |
| C4 | N3 | C2 | C1 | 58.8° | 61.8° |
| N3 | C4 | H3 | H4 | 119.5° | 120.0° |
| N3 | C4 | C5 | H5 | 176.8° | 179.1° |
| N3 | C4 | C5 | H6 | 63.8° | 60.7° |
| C4 | N3 | C2 | H12 | 178.9° | 178.3° |
| C4 | N3 | C2 | H13 | 61.4° | 58.2° |
| C5 | C4 | N3 | C2 | 58.6° | 61.8° |
| C4 | C5 | C6 | H5 | 120.3° | 120.0° |
| C4 | C5 | C6 | H6 | 120.3° | 119.9° |
| C4 | C5 | C6 | C1 | 54.4° | 57.6° |
| C4 | C5 | C6 | C10 | 178.8° | 177.6° |
| C5 | C4 | N3 | H1 | 61.8° | 62.3° |
| C5 | C4 | H3 | H4 | 119.6° | 119.9° |
| C4 | C5 | H5 | H6 | 119.1° | 120.2° |
| C4 | C5 | C6 | H7 | 61.0° | 62.3° |
| N3 | C2 | C1 | H12 | 120.1° | 120.0° |
| N3 | C2 | C1 | H13 | 120.1° | 120.1° |
| N3 | C2 | C1 | C6 | 56.9° | 59.2° |
| C2 | N3 | C4 | H3 | 61.6° | 58.2° |
| C2 | N3 | C4 | H4 | 178.7° | 178.2° |
| N3 | C2 | C1 | H9 | 63.4° | 179.2° |
| N3 | C2 | C1 | H10 | 177.2° | 60.8° |
| N3 | C2 | H12 | H13 | 119.6° | 120.1° |
| C5 | C6 | C1 | C2 | 54.6° | 57.6° |
| C5 | C6 | C1 | C10 | 127.4° | 119.9° |
| C5 | C6 | C1 | H7 | 115.4° | 119.9° |
| C5 | C6 | C10 | H7 | 117.6° | 120.1° |
| C5 | C6 | C10 | C11 | 4.5° | 120.0° |
| C5 | C6 | C10 | C9 | 175.5° | 59.3° |
| C6 | C5 | C4 | H3 | 63.6° | 60.9° |
| C6 | C5 | C4 | H4 | 176.7° | 179.2° |
| C6 | C5 | H5 | H6 | 119.1° | 120.1° |
| C5 | C6 | C1 | H9 | 65.7° | 177.6° |
| C5 | C6 | C1 | H10 | 174.8° | 62.4° |
| C2 | C1 | C6 | H9 | 120.3° | 120.0° |
| C2 | C1 | C6 | H10 | 120.3° | 120.0° |
| C2 | C1 | C6 | C10 | 178.0° | 177.6° |
| C1 | C2 | N3 | H1 | 61.6° | 62.3° |
| C2 | C1 | C6 | H7 | 60.8° | 62.3° |
| C2 | C1 | H9 | H10 | 119.1° | 120.1° |
| C1 | C2 | H12 | H13 | 119.6° | 119.9° |
| C1 | C6 | C10 | H7 | 117.1° | 120.1° |
| C1 | C6 | C10 | C11 | 120.8° | 120.3° |
| C1 | C6 | C10 | C9 | 59.2° | 60.5° |
| C1 | C6 | C5 | H5 | 174.7° | 177.6° |
| C1 | C6 | C5 | H6 | 65.9° | 62.3° |
| C6 | C1 | H9 | H10 | 119.2° | 120.0° |
| C6 | C1 | C2 | H12 | 177.0° | 179.2° |
| C6 | C1 | C2 | H13 | 63.2° | 60.9° |
| C6 | C10 | C11 | C9 | 180.0° | 179.3° |
| C6 | C10 | C11 | C12 | 178.9° | 180.0° |
| C6 | C10 | C9 | C8 | 177.9° | 179.7° |
| C10 | C6 | C5 | H5 | 58.5° | 62.5° |
| C10 | C6 | C5 | H6 | 60.9° | 57.7° |
| C10 | C6 | C1 | H9 | 61.7° | 62.4° |
| C10 | C6 | C1 | H10 | 57.7° | 57.6° |
| C6 | C10 | C11 | H11 | 1.1° | 0.0° |
| C6 | C10 | C9 | H14 | 2.1° | 0.8° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 2.1° | 0.5° |
| C10 | C11 | C12 | C14 | 178.3° | 179.5° |
| C10 | C11 | C12 | C13 | 0.3° | 0.6° |
| C11 | C10 | C6 | H7 | 122.1° | 0.1° |
| C11 | C10 | C9 | H14 | 177.9° | 180.0° |
| C9 | C10 | C11 | C12 | 1.1° | 0.8° |
| C10 | C9 | C8 | H14 | 180.0° | 179.5° |
| C10 | C9 | C8 | C13 | 2.4° | 0.0° |
| C10 | C9 | C8 | N7 | 177.4° | 179.7° |
| C9 | C10 | C6 | H7 | 57.9° | 179.4° |
| C9 | C10 | C11 | H11 | 178.9° | 179.2° |
| C11 | C12 | C14 | F15 | 33.2° | 30.0° |
| C11 | C12 | C14 | F17 | 87.2° | 150.0° |
| C11 | C12 | C14 | C13 | 178.0° | 179.9° |
| C11 | C12 | C14 | F16 | 153.3° | 90.0° |
| C11 | C12 | C13 | C8 | 0.5° | 0.1° |
| C11 | C12 | C13 | H8 | 179.4° | 179.9° |
| F15 | C14 | F17 | C12 | 124.2° | 120.0° |
| F15 | C14 | F17 | F16 | 111.8° | 120.0° |
| F15 | C14 | C12 | F16 | 120.0° | 120.0° |
| F15 | C14 | C12 | C13 | 148.8° | 150.1° |
| F17 | C14 | C12 | F16 | 119.6° | 120.0° |
| F17 | C14 | C12 | C13 | 90.8° | 30.0° |
| C9 | C8 | C13 | C12 | 1.6° | 0.2° |
| C9 | C8 | C13 | N7 | 179.7° | 179.7° |
| C9 | C8 | N7 | C18 | 59.3° | 142.5° |
| C9 | C8 | C13 | H8 | 178.4° | 179.8° |
| C9 | C8 | N7 | H18 | 120.8° | 37.5° |
| C14 | C12 | C13 | C8 | 178.6° | 180.0° |
| C14 | C12 | C13 | H8 | 1.4° | 0.0° |
| C14 | C12 | C11 | H11 | 1.7° | 0.5° |
| C13 | C12 | C14 | F16 | 28.7° | 90.0° |
| C12 | C13 | C8 | H8 | 180.0° | 180.0° |
| C12 | C13 | C8 | N7 | 178.2° | 179.9° |
| C13 | C12 | C11 | H11 | 179.7° | 179.4° |
| C13 | C8 | N7 | C18 | 120.5° | 37.2° |
| C13 | C8 | C9 | H14 | 177.7° | 179.5° |
| C13 | C8 | N7 | H18 | 59.5° | 142.8° |
| C8 | N7 | C18 | H18 | 180.0° | 180.0° |
| C8 | N7 | C18 | N19 | 0.8° | 5.8° |
| C8 | N7 | C18 | N20 | 179.2° | 174.3° |
| N7 | C8 | C13 | H8 | 1.8° | 0.0° |
| N7 | C8 | C9 | H14 | 2.6° | 0.2° |
| N7 | C18 | N19 | N20 | 180.0° | 179.9° |
| N7 | C18 | N19 | H15 | 180.0° | 180.0° |
| N7 | C18 | N20 | H16 | 180.0° | 180.0° |
| N7 | C18 | N20 | H17 | 0.0° | 0.0° |
| N19 | C18 | N20 | H16 | 0.0° | 0.1° |
| N19 | C18 | N20 | H17 | 180.0° | 179.9° |
| N19 | C18 | N7 | H18 | 179.2° | 174.2° |
| N20 | C18 | N19 | H15 | 0.0° | 0.1° |
| C18 | N20 | H16 | H17 | 180.0° | 180.0° |
| N20 | C18 | N7 | H18 | 0.8° | 5.7° |
| H1 | N3 | C4 | H3 | 178.1° | 177.6° |
| H1 | N3 | C4 | H4 | 58.4° | 57.6° |
| H1 | N3 | C2 | H12 | 58.6° | 57.6° |
| H1 | N3 | C2 | H13 | 178.3° | 177.6° |
| H3 | C4 | C5 | H5 | 56.7° | 59.0° |
| H3 | C4 | C5 | H6 | 176.1° | 179.2° |
| H4 | C4 | C5 | H5 | 63.0° | 60.9° |
| H4 | C4 | C5 | H6 | 56.4° | 59.3° |
| H5 | C5 | C6 | H7 | 59.3° | 57.6° |
| H6 | C5 | C6 | H7 | 178.7° | 177.8° |
| H7 | C6 | C1 | H9 | 178.9° | 57.7° |
| H7 | C6 | C1 | H10 | 59.5° | 177.7° |
| H9 | C1 | C2 | H12 | 56.7° | 60.9° |
| H9 | C1 | C2 | H13 | 176.4° | 59.1° |
| H10 | C1 | C2 | H12 | 62.7° | 59.2° |
| H10 | C1 | C2 | H13 | 57.1° | 179.2° |
