HCZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | S02 | sing | 1.66Å | 1.72Å | |
| S02 | O03 | doub | 1.42Å | 1.66Å | |
| S02 | O04 | doub | 1.42Å | 1.66Å | |
| S02 | C05 | sing | 1.76Å | 1.83Å | |
| C05 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
| C05 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.42Å | Aromatic |
| C07 | C08 | doub | 1.39Å | 1.37Å | Aromatic |
| C07 | S15 | sing | 1.77Å | 1.71Å | |
| C08 | C09 | sing | 1.39Å | 1.43Å | Aromatic |
| C08 | N12 | sing | 1.39Å | 1.47Å | |
| C09 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | CL11 | sing | 1.74Å | 1.78Å | |
| N12 | C13 | sing | 1.46Å | 1.51Å | |
| C13 | N14 | sing | 1.48Å | 1.55Å | |
| N14 | S15 | sing | 1.67Å | 1.75Å | |
| S15 | O16 | doub | 1.42Å | 1.46Å | |
| S15 | O17 | 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 | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | S02 | O03 | 109.6° | 106.4° |
| N01 | S02 | O04 | 109.5° | 106.4° |
| N01 | S02 | C05 | 109.4° | 107.2° |
| S02 | N01 | HN01 | 109.5° | 120.0° |
| S02 | N01 | HN0A | 109.5° | 120.0° |
| O03 | S02 | O04 | 109.4° | 123.2° |
| O03 | S02 | C05 | 109.5° | 106.4° |
| O04 | S02 | C05 | 109.5° | 106.4° |
| S02 | C05 | C06 | 119.9° | 120.1° |
| S02 | C05 | C10 | 120.1° | 120.1° |
| C06 | C05 | C10 | 119.9° | 119.8° |
| C05 | C06 | C07 | 120.1° | 120.1° |
| C05 | C06 | H06 | 119.9° | 120.0° |
| C05 | C10 | C09 | 120.0° | 120.3° |
| C05 | C10 | CL11 | 120.0° | 119.9° |
| C06 | C07 | C08 | 120.0° | 120.6° |
| C06 | C07 | S15 | 121.0° | 119.9° |
| C07 | C06 | H06 | 120.0° | 119.9° |
| C08 | C07 | S15 | 119.1° | 119.5° |
| C07 | C08 | C09 | 119.9° | 119.1° |
| C07 | C08 | N12 | 119.7° | 122.1° |
| C07 | S15 | N14 | 108.5° | 104.8° |
| C07 | S15 | O16 | 109.9° | 106.8° |
| C07 | S15 | O17 | 109.6° | 106.8° |
| C09 | C08 | N12 | 120.3° | 118.8° |
| C08 | C09 | C10 | 120.1° | 120.2° |
| C08 | C09 | H09 | 119.9° | 120.0° |
| C08 | N12 | C13 | 120.7° | 123.3° |
| C08 | N12 | HN12 | 105.9° | 118.3° |
| C09 | C10 | CL11 | 120.0° | 119.9° |
| C10 | C09 | H09 | 119.9° | 119.9° |
| N12 | C13 | N14 | 109.4° | 108.7° |
| C13 | N12 | HN12 | 105.9° | 118.4° |
| N12 | C13 | H13 | 109.5° | 109.5° |
| N12 | C13 | H13A | 109.5° | 109.6° |
| C13 | N14 | S15 | 119.3° | 115.9° |
| N14 | C13 | H13 | 109.5° | 109.6° |
| N14 | C13 | H13A | 109.5° | 109.6° |
| C13 | N14 | HN14 | 106.3° | 122.1° |
| N14 | S15 | O16 | 109.7° | 106.7° |
| N14 | S15 | O17 | 109.6° | 106.8° |
| S15 | N14 | HN14 | 106.3° | 122.0° |
| O16 | S15 | O17 | 109.5° | 123.5° |
| HN01 | N01 | HN0A | 109.5° | 120.0° |
| H13 | C13 | H13A | 109.4° | 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 | 120.0° | 114.1° |
| N01 | S02 | O04 | C05 | 119.9° | 114.1° |
| N01 | S02 | C05 | C06 | 111.3° | 115.0° |
| N01 | S02 | C05 | C10 | 68.6° | 65.3° |
| S02 | N01 | HN01 | HN0A | 120.0° | 179.7° |
| O03 | S02 | O04 | C05 | 120.0° | 123.0° |
| O03 | S02 | C05 | C06 | 128.6° | 1.5° |
| O03 | S02 | C05 | C10 | 51.5° | 178.8° |
| O03 | S02 | N01 | HN01 | 180.0° | 6.5° |
| O03 | S02 | N01 | HN0A | 60.0° | 173.2° |
| O04 | S02 | C05 | C06 | 8.6° | 131.4° |
| O04 | S02 | C05 | C10 | 171.4° | 48.2° |
| O04 | S02 | N01 | HN01 | 60.0° | 126.5° |
| O04 | S02 | N01 | HN0A | 179.9° | 53.8° |
| S02 | C05 | C06 | C10 | 179.9° | 179.7° |
| S02 | C05 | C06 | C07 | 179.9° | 180.0° |
| S02 | C05 | C10 | C09 | 180.0° | 179.8° |
| S02 | C05 | C10 | CL11 | 2.3° | 0.4° |
| C05 | S02 | N01 | HN01 | 60.0° | 120.0° |
| C05 | S02 | N01 | HN0A | 60.1° | 59.7° |
| S02 | C05 | C06 | H06 | 0.1° | 0.1° |
| C05 | C06 | C07 | H06 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.0° | 0.8° |
| C05 | C06 | C07 | S15 | 180.0° | 178.6° |
| C06 | C05 | C10 | C09 | 0.1° | 0.1° |
| C06 | C05 | C10 | CL11 | 177.7° | 179.9° |
| C10 | C05 | C06 | C07 | 0.0° | 0.3° |
| C05 | C10 | C09 | C08 | 0.1° | 0.5° |
| C05 | C10 | C09 | CL11 | 177.7° | 179.8° |
| C10 | C05 | C06 | H06 | 180.0° | 179.8° |
| C05 | C10 | C09 | H09 | 179.9° | 179.7° |
| C06 | C07 | C08 | S15 | 180.0° | 179.4° |
| C06 | C07 | C08 | C09 | 0.0° | 1.1° |
| C06 | C07 | C08 | N12 | 180.0° | 177.9° |
| C06 | C07 | S15 | N14 | 153.4° | 169.6° |
| C06 | C07 | S15 | O16 | 33.5° | 77.4° |
| C06 | C07 | S15 | O17 | 86.9° | 56.5° |
| C07 | C08 | C09 | N12 | 180.0° | 179.0° |
| C07 | C08 | C09 | C10 | 0.1° | 0.9° |
| C07 | C08 | N12 | C13 | 45.7° | 22.6° |
| C08 | C07 | S15 | N14 | 26.6° | 11.1° |
| C08 | C07 | S15 | O16 | 146.6° | 102.0° |
| C08 | C07 | S15 | O17 | 93.1° | 124.1° |
| C08 | C07 | C06 | H06 | 179.9° | 179.3° |
| C07 | C08 | C09 | H09 | 179.9° | 179.3° |
| C07 | C08 | N12 | HN12 | 74.3° | 157.3° |
| S15 | C07 | C08 | C09 | 180.0° | 178.3° |
| S15 | C07 | C08 | N12 | 0.0° | 2.8° |
| C07 | S15 | N14 | C13 | 15.4° | 39.5° |
| C07 | S15 | N14 | O16 | 120.0° | 113.0° |
| C07 | S15 | N14 | O17 | 119.6° | 113.1° |
| C07 | S15 | O16 | O17 | 120.4° | 124.2° |
| S15 | C07 | C06 | H06 | 0.0° | 1.3° |
| C07 | S15 | N14 | HN14 | 135.4° | 140.4° |
| C08 | C09 | C10 | H09 | 180.0° | 179.8° |
| C08 | C09 | C10 | CL11 | 177.6° | 179.7° |
| C09 | C08 | N12 | C13 | 134.4° | 158.4° |
| C09 | C08 | N12 | HN12 | 105.6° | 21.7° |
| N12 | C08 | C09 | C10 | 180.0° | 178.1° |
| C08 | N12 | C13 | HN12 | 120.0° | 179.9° |
| C08 | N12 | C13 | N14 | 53.4° | 50.2° |
| N12 | C08 | C09 | H09 | 0.0° | 1.7° |
| C08 | N12 | C13 | H13 | 173.4° | 169.9° |
| C08 | N12 | C13 | H13A | 66.6° | 69.7° |
| CL11 | C10 | C09 | H09 | 2.4° | 0.1° |
| N12 | C13 | N14 | H13 | 120.0° | 119.7° |
| N12 | C13 | N14 | H13A | 120.0° | 119.8° |
| N12 | C13 | N14 | S15 | 19.4° | 58.2° |
| N12 | C13 | H13 | H13A | 120.0° | 120.4° |
| N12 | C13 | N14 | HN14 | 100.6° | 121.8° |
| C13 | N14 | S15 | HN14 | 120.0° | 180.0° |
| C13 | N14 | S15 | O16 | 135.4° | 73.5° |
| C13 | N14 | S15 | O17 | 104.2° | 152.6° |
| N14 | C13 | N12 | HN12 | 66.6° | 129.7° |
| N14 | C13 | H13 | H13A | 120.0° | 120.4° |
| N14 | S15 | O16 | O17 | 120.4° | 124.1° |
| S15 | N14 | C13 | H13 | 139.4° | 177.9° |
| S15 | N14 | C13 | H13A | 100.6° | 61.6° |
| O16 | S15 | N14 | HN14 | 104.6° | 106.5° |
| O17 | S15 | N14 | HN14 | 15.8° | 27.4° |
| HN12 | N12 | C13 | H13 | 53.4° | 10.0° |
| HN12 | N12 | C13 | H13A | 173.4° | 110.4° |
| H13 | C13 | N14 | HN14 | 19.4° | 2.1° |
| H13A | C13 | N14 | HN14 | 139.4° | 118.4° |
