HFZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | S02 | sing | 1.66Å | 1.71Å | |
| S02 | O03 | doub | 1.42Å | 1.65Å | |
| S02 | O04 | doub | 1.42Å | 1.65Å | |
| S02 | C05 | sing | 1.76Å | 1.83Å | |
| C05 | C06 | doub | 1.38Å | 1.44Å | Aromatic |
| C05 | C10 | sing | 1.38Å | 1.47Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.44Å | Aromatic |
| C07 | C08 | doub | 1.39Å | 1.48Å | Aromatic |
| C07 | S18 | sing | 1.77Å | 1.73Å | |
| C08 | C09 | sing | 1.39Å | 1.43Å | Aromatic |
| C08 | N15 | sing | 1.39Å | 1.49Å | |
| C09 | C10 | doub | 1.38Å | 1.46Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C11 | F12 | sing | 1.40Å | 1.37Å | |
| C11 | F13 | sing | 1.40Å | 1.36Å | |
| C11 | F14 | sing | 1.40Å | 1.37Å | |
| N15 | C16 | sing | 1.46Å | 1.50Å | |
| C16 | N17 | sing | 1.48Å | 1.45Å | |
| N17 | S18 | sing | 1.67Å | 1.74Å | |
| S18 | O19 | doub | 1.42Å | 1.47Å | |
| S18 | O20 | doub | 1.42Å | 1.47Å | |
| N01 | HN01 | sing | 0.97Å | 1.00Å | |
| N01 | HN0A | sing | 0.97Å | 1.00Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| N15 | HN15 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | S02 | O03 | 109.3° | 106.4° |
| N01 | S02 | O04 | 109.5° | 106.4° |
| N01 | S02 | C05 | 109.5° | 107.2° |
| S02 | N01 | HN01 | 109.5° | 120.0° |
| S02 | N01 | HN0A | 109.5° | 120.0° |
| O03 | S02 | O04 | 109.5° | 123.2° |
| O03 | S02 | C05 | 109.4° | 106.4° |
| O04 | S02 | C05 | 109.6° | 106.4° |
| S02 | C05 | C06 | 119.8° | 120.0° |
| S02 | C05 | C10 | 120.2° | 120.1° |
| C06 | C05 | C10 | 120.0° | 119.8° |
| C05 | C06 | C07 | 120.0° | 120.0° |
| C05 | C06 | H06 | 120.0° | 120.0° |
| C05 | C10 | C09 | 119.9° | 120.3° |
| C05 | C10 | C11 | 120.2° | 119.8° |
| C06 | C07 | C08 | 119.9° | 120.6° |
| C06 | C07 | S18 | 120.4° | 119.9° |
| C07 | C06 | H06 | 120.0° | 119.9° |
| C08 | C07 | S18 | 119.4° | 119.5° |
| C07 | C08 | C09 | 120.0° | 119.0° |
| C07 | C08 | N15 | 120.4° | 122.1° |
| C07 | S18 | N17 | 108.6° | 104.7° |
| C07 | S18 | O19 | 109.9° | 106.8° |
| C07 | S18 | O20 | 109.6° | 106.8° |
| C09 | C08 | N15 | 119.0° | 118.9° |
| C08 | C09 | C10 | 120.0° | 120.2° |
| C08 | C09 | H09 | 120.0° | 119.9° |
| C08 | N15 | C16 | 120.8° | 123.3° |
| C08 | N15 | HN15 | 105.9° | 118.3° |
| C09 | C10 | C11 | 119.8° | 119.9° |
| C10 | C09 | H09 | 120.0° | 119.9° |
| C10 | C11 | F12 | 109.6° | 109.5° |
| C10 | C11 | F13 | 109.5° | 109.5° |
| C10 | C11 | F14 | 109.5° | 109.5° |
| F12 | C11 | F13 | 109.4° | 109.5° |
| F12 | C11 | F14 | 109.4° | 109.5° |
| F13 | C11 | F14 | 109.5° | 109.4° |
| N15 | C16 | N17 | 112.8° | 108.7° |
| C16 | N15 | HN15 | 105.8° | 118.3° |
| N15 | C16 | H16 | 108.4° | 109.6° |
| N15 | C16 | H16A | 108.4° | 109.6° |
| C16 | N17 | S18 | 119.2° | 115.9° |
| N17 | C16 | H16 | 108.4° | 109.6° |
| N17 | C16 | H16A | 108.4° | 109.6° |
| C16 | N17 | HN17 | 106.3° | 122.1° |
| N17 | S18 | O19 | 109.8° | 106.8° |
| N17 | S18 | O20 | 109.6° | 106.8° |
| S18 | N17 | HN17 | 106.4° | 122.0° |
| O19 | S18 | O20 | 109.4° | 123.6° |
| HN01 | N01 | HN0A | 109.5° | 120.0° |
| H16 | C16 | H16A | 110.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | S02 | O03 | O04 | 120.0° | 122.9° |
| N01 | S02 | O03 | C05 | 119.9° | 114.1° |
| N01 | S02 | O04 | C05 | 120.1° | 114.1° |
| N01 | S02 | C05 | C06 | 100.4° | 114.0° |
| N01 | S02 | C05 | C10 | 79.3° | 65.7° |
| S02 | N01 | HN01 | HN0A | 120.0° | 179.7° |
| O03 | S02 | O04 | C05 | 120.0° | 123.0° |
| O03 | S02 | C05 | C06 | 19.5° | 132.5° |
| O03 | S02 | C05 | C10 | 160.9° | 47.8° |
| O03 | S02 | N01 | HN01 | 180.0° | 1.7° |
| O03 | S02 | N01 | HN0A | 60.0° | 177.9° |
| O04 | S02 | C05 | C06 | 139.5° | 0.5° |
| O04 | S02 | C05 | C10 | 40.9° | 179.2° |
| O04 | S02 | N01 | HN01 | 60.1° | 131.2° |
| O04 | S02 | N01 | HN0A | 60.0° | 49.1° |
| S02 | C05 | C06 | C10 | 179.6° | 179.7° |
| S02 | C05 | C06 | C07 | 179.8° | 180.0° |
| S02 | C05 | C10 | C09 | 178.3° | 179.9° |
| S02 | C05 | C10 | C11 | 0.9° | 0.4° |
| C05 | S02 | N01 | HN01 | 60.1° | 115.2° |
| C05 | S02 | N01 | HN0A | 179.9° | 64.4° |
| S02 | C05 | C06 | H06 | 0.2° | 0.1° |
| C05 | C06 | C07 | H06 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 3.1° | 0.8° |
| C05 | C06 | C07 | S18 | 178.1° | 178.6° |
| C06 | C05 | C10 | C09 | 2.1° | 0.2° |
| C06 | C05 | C10 | C11 | 179.5° | 179.9° |
| C10 | C05 | C06 | C07 | 0.6° | 0.3° |
| C05 | C10 | C09 | C08 | 0.3° | 0.6° |
| C05 | C10 | C09 | C11 | 177.5° | 179.7° |
| C05 | C10 | C11 | F12 | 170.5° | 174.4° |
| C05 | C10 | C11 | F13 | 50.4° | 54.4° |
| C05 | C10 | C11 | F14 | 69.5° | 65.6° |
| C10 | C05 | C06 | H06 | 179.4° | 179.8° |
| C05 | C10 | C09 | H09 | 179.7° | 179.7° |
| C06 | C07 | C08 | S18 | 175.1° | 179.4° |
| C06 | C07 | C08 | C09 | 5.4° | 1.1° |
| C06 | C07 | C08 | N15 | 176.5° | 177.8° |
| C06 | C07 | S18 | N17 | 179.7° | 169.5° |
| C06 | C07 | S18 | O19 | 59.6° | 77.4° |
| C06 | C07 | S18 | O20 | 60.7° | 56.5° |
| C07 | C08 | C09 | N15 | 171.2° | 179.0° |
| C07 | C08 | C09 | C10 | 4.0° | 1.0° |
| C07 | C08 | N15 | C16 | 31.0° | 22.7° |
| C08 | C07 | S18 | N17 | 5.3° | 11.1° |
| C08 | C07 | S18 | O19 | 125.4° | 102.0° |
| C08 | C07 | S18 | O20 | 114.4° | 124.1° |
| C08 | C07 | C06 | H06 | 176.9° | 179.3° |
| C07 | C08 | C09 | H09 | 176.0° | 179.3° |
| C07 | C08 | N15 | HN15 | 151.0° | 157.3° |
| S18 | C07 | C08 | C09 | 179.5° | 178.3° |
| S18 | C07 | C08 | N15 | 8.5° | 2.8° |
| C07 | S18 | N17 | C16 | 25.1° | 39.6° |
| C07 | S18 | N17 | O19 | 120.2° | 113.0° |
| C07 | S18 | N17 | O20 | 119.7° | 113.0° |
| C07 | S18 | O19 | O20 | 120.3° | 124.2° |
| S18 | C07 | C06 | H06 | 1.9° | 1.3° |
| C07 | S18 | N17 | HN17 | 145.1° | 140.4° |
| C08 | C09 | C10 | H09 | 180.0° | 179.7° |
| C08 | C09 | C10 | C11 | 177.2° | 179.7° |
| C09 | C08 | N15 | C16 | 157.9° | 158.4° |
| C09 | C08 | N15 | HN15 | 37.8° | 21.6° |
| N15 | C08 | C09 | C10 | 175.2° | 178.0° |
| C08 | N15 | C16 | HN15 | 120.0° | 180.0° |
| C08 | N15 | C16 | N17 | 50.0° | 50.2° |
| N15 | C08 | C09 | H09 | 4.8° | 1.7° |
| C08 | N15 | C16 | H16 | 70.0° | 169.9° |
| C08 | N15 | C16 | H16A | 170.0° | 69.6° |
| C09 | C10 | C11 | F12 | 12.1° | 5.9° |
| C09 | C10 | C11 | F13 | 132.1° | 125.9° |
| C09 | C10 | C11 | F14 | 107.9° | 114.1° |
| C10 | C11 | F12 | F13 | 120.0° | 120.0° |
| C10 | C11 | F12 | F14 | 120.0° | 120.0° |
| C10 | C11 | F13 | F14 | 120.0° | 120.0° |
| C11 | C10 | C09 | H09 | 2.9° | 0.0° |
| F12 | C11 | F13 | F14 | 119.9° | 120.0° |
| N15 | C16 | N17 | H16 | 120.0° | 119.8° |
| N15 | C16 | N17 | H16A | 120.0° | 119.8° |
| N15 | C16 | N17 | S18 | 46.1° | 58.2° |
| N15 | C16 | H16 | H16A | 118.6° | 120.4° |
| N15 | C16 | N17 | HN17 | 166.1° | 121.8° |
| C16 | N17 | S18 | HN17 | 120.0° | 180.0° |
| C16 | N17 | S18 | O19 | 145.3° | 73.5° |
| C16 | N17 | S18 | O20 | 94.6° | 152.6° |
| N17 | C16 | N15 | HN15 | 170.0° | 129.8° |
| N17 | C16 | H16 | H16A | 118.7° | 120.4° |
| N17 | S18 | O19 | O20 | 120.2° | 124.2° |
| S18 | N17 | C16 | H16 | 74.0° | 178.0° |
| S18 | N17 | C16 | H16A | 166.1° | 61.6° |
| O19 | S18 | N17 | HN17 | 94.7° | 106.5° |
| O20 | S18 | N17 | HN17 | 25.4° | 27.4° |
| HN15 | N15 | C16 | H16 | 50.1° | 10.1° |
| HN15 | N15 | C16 | H16A | 69.9° | 110.4° |
| H16 | C16 | N17 | HN17 | 46.1° | 2.0° |
| H16A | C16 | N17 | HN17 | 73.9° | 118.4° |
