ZH5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL21 | C20 | sing | 1.74Å | 1.71Å | |
| N22 | C13 | doub | 1.31Å | 1.37Å | Aromatic |
| N22 | N23 | sing | 1.40Å | 1.34Å | Aromatic |
| S14 | C13 | sing | 1.76Å | 1.69Å | |
| S14 | C15 | sing | 1.76Å | 1.70Å | |
| C13 | C12 | sing | 1.46Å | 1.48Å | Aromatic |
| N23 | C24 | sing | 1.37Å | 1.41Å | Aromatic |
| C20 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C12 | doub | 1.41Å | 1.49Å | Aromatic |
| C24 | N25 | sing | 1.33Å | 1.35Å | Aromatic |
| C12 | N11 | sing | 1.33Å | 1.36Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| N25 | C09 | doub | 1.32Å | 1.35Å | Aromatic |
| N11 | C10 | doub | 1.32Å | 1.34Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.47Å | Aromatic |
| C09 | N06 | sing | 1.39Å | 1.41Å | |
| N03 | C02 | sing | 1.47Å | 1.48Å | |
| C08 | C02 | sing | 1.53Å | 1.57Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C04 | C02 | sing | 1.53Å | 1.55Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| N06 | C07 | sing | 1.47Å | 1.46Å | |
| N06 | C05 | sing | 1.47Å | 1.46Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| N03 | H1 | sing | 1.01Å | 1.00Å | |
| N03 | H032 | sing | 1.01Å | 1.00Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL21 | C20 | C15 | 119.8° | 120.1° |
| CL21 | C20 | C19 | 119.7° | 120.0° |
| C13 | N22 | N23 | 113.5° | 109.9° |
| N22 | C13 | S14 | 127.7° | 126.2° |
| N22 | C13 | C12 | 107.0° | 107.6° |
| N22 | N23 | C24 | 108.2° | 109.3° |
| N22 | N23 | H231 | 125.9° | 125.3° |
| C13 | S14 | C15 | 117.6° | 103.0° |
| S14 | C13 | C12 | 125.2° | 126.2° |
| S14 | C15 | C20 | 114.9° | 120.1° |
| S14 | C15 | C16 | 125.5° | 120.1° |
| C13 | C12 | C24 | 103.4° | 106.2° |
| C13 | C12 | N11 | 134.8° | 133.7° |
| N23 | C24 | C12 | 107.9° | 106.8° |
| N23 | C24 | N25 | 127.7° | 133.5° |
| C24 | N23 | H231 | 125.9° | 125.3° |
| C15 | C20 | C19 | 120.6° | 119.9° |
| C20 | C15 | C16 | 119.5° | 119.8° |
| C20 | C19 | C18 | 118.7° | 120.1° |
| C20 | C19 | H191 | 120.6° | 120.0° |
| C15 | C16 | C17 | 119.9° | 119.9° |
| C15 | C16 | H161 | 120.0° | 120.0° |
| C19 | C18 | C17 | 121.1° | 120.1° |
| C19 | C18 | H181 | 119.4° | 119.9° |
| C18 | C19 | H191 | 120.6° | 120.0° |
| C12 | C24 | N25 | 124.4° | 119.6° |
| C24 | C12 | N11 | 121.8° | 120.1° |
| C24 | N25 | C09 | 112.8° | 119.8° |
| C12 | N11 | C10 | 113.0° | 119.8° |
| C16 | C17 | C18 | 120.2° | 120.2° |
| C16 | C17 | H171 | 119.9° | 119.9° |
| C17 | C16 | H161 | 120.1° | 120.1° |
| C18 | C17 | H171 | 119.9° | 119.9° |
| C17 | C18 | H181 | 119.5° | 120.0° |
| N25 | C09 | C10 | 122.8° | 120.4° |
| N25 | C09 | N06 | 118.2° | 119.8° |
| N11 | C10 | C09 | 125.2° | 120.3° |
| N11 | C10 | H101 | 117.4° | 119.8° |
| C10 | C09 | N06 | 118.9° | 119.8° |
| C09 | C10 | H101 | 117.4° | 119.8° |
| C09 | N06 | C07 | 116.1° | 111.0° |
| C09 | N06 | C05 | 119.3° | 111.0° |
| N03 | C02 | C08 | 110.7° | 109.6° |
| N03 | C02 | C04 | 109.6° | 109.5° |
| N03 | C02 | C01 | 107.9° | 109.5° |
| C02 | N03 | H1 | 109.5° | 111.0° |
| C02 | N03 | H032 | 109.4° | 111.1° |
| C02 | C08 | C07 | 114.4° | 109.3° |
| C08 | C02 | C04 | 109.9° | 109.2° |
| C08 | C02 | C01 | 110.4° | 109.5° |
| C02 | C08 | H082 | 108.2° | 109.5° |
| C02 | C08 | H081 | 108.2° | 109.5° |
| C08 | C07 | N06 | 113.8° | 109.5° |
| C08 | C07 | H072 | 108.4° | 109.4° |
| C08 | C07 | H071 | 108.4° | 109.4° |
| C07 | C08 | H082 | 108.2° | 109.5° |
| C07 | C08 | H081 | 108.2° | 109.6° |
| C02 | C04 | C05 | 113.5° | 109.3° |
| C04 | C02 | C01 | 108.2° | 109.5° |
| C02 | C04 | H041 | 108.5° | 109.5° |
| C02 | C04 | H042 | 108.5° | 109.5° |
| C04 | C05 | N06 | 113.5° | 109.5° |
| C05 | C04 | H041 | 108.5° | 109.6° |
| C05 | C04 | H042 | 108.4° | 109.5° |
| C04 | C05 | H051 | 108.5° | 109.4° |
| C04 | C05 | H052 | 108.4° | 109.5° |
| C07 | N06 | C05 | 115.9° | 111.2° |
| N06 | C07 | H072 | 108.4° | 109.5° |
| N06 | C07 | H071 | 108.4° | 109.5° |
| N06 | C05 | H051 | 108.4° | 109.5° |
| N06 | C05 | H052 | 108.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.6° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.4° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H1 | N03 | H032 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL21 | C20 | C15 | S14 | 0.4° | 0.3° |
| CL21 | C20 | C15 | C19 | 179.7° | 180.0° |
| CL21 | C20 | C15 | C16 | 179.2° | 179.9° |
| CL21 | C20 | C19 | C18 | 179.5° | 179.9° |
| CL21 | C20 | C19 | H191 | 0.5° | 0.0° |
| N22 | C13 | S14 | C12 | 177.0° | 179.4° |
| N22 | C13 | S14 | C15 | 143.2° | 4.6° |
| C13 | N22 | N23 | C24 | 1.6° | 0.3° |
| N22 | C13 | C12 | C24 | 0.9° | 0.4° |
| N22 | C13 | C12 | N11 | 179.8° | 179.9° |
| C13 | N22 | N23 | H231 | 178.4° | 180.0° |
| N23 | N22 | C13 | S14 | 179.0° | 180.0° |
| N23 | N22 | C13 | C12 | 1.6° | 0.4° |
| N22 | N23 | C24 | H231 | 180.0° | 179.7° |
| N22 | N23 | C24 | C12 | 0.9° | 0.0° |
| N22 | N23 | C24 | N25 | 178.9° | 179.7° |
| C13 | S14 | C15 | C20 | 165.9° | 76.3° |
| C13 | S14 | C15 | C16 | 13.6° | 104.0° |
| S14 | C13 | C12 | C24 | 178.4° | 179.9° |
| S14 | C13 | C12 | N11 | 2.3° | 0.3° |
| C15 | S14 | C13 | C12 | 39.8° | 174.8° |
| S14 | C15 | C20 | C16 | 179.6° | 179.8° |
| S14 | C15 | C20 | C19 | 179.3° | 179.7° |
| S14 | C15 | C16 | C17 | 179.7° | 179.7° |
| S14 | C15 | C16 | H161 | 0.3° | 0.2° |
| C13 | C12 | C24 | N23 | 0.0° | 0.2° |
| C13 | C12 | C24 | N11 | 179.4° | 179.8° |
| C13 | C12 | C24 | N25 | 179.8° | 180.0° |
| C13 | C12 | N11 | C10 | 179.9° | 179.7° |
| N23 | C24 | C12 | N25 | 179.8° | 179.8° |
| N23 | C24 | C12 | N11 | 179.4° | 180.0° |
| N23 | C24 | N25 | C09 | 179.8° | 179.9° |
| C15 | C20 | C19 | C18 | 0.8° | 0.1° |
| C20 | C15 | C16 | C17 | 0.7° | 0.0° |
| C20 | C15 | C16 | H161 | 179.2° | 180.0° |
| C15 | C20 | C19 | H191 | 179.2° | 179.9° |
| C19 | C20 | C15 | C16 | 1.1° | 0.0° |
| C20 | C19 | C18 | H191 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.1° | 0.1° |
| C20 | C19 | C18 | H181 | 179.9° | 180.0° |
| C15 | C16 | C17 | H161 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C15 | C16 | C17 | H171 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.3° | 0.1° |
| C19 | C18 | C17 | H181 | 180.0° | 179.9° |
| C19 | C18 | C17 | H171 | 179.7° | 179.9° |
| C12 | C24 | N25 | C09 | 0.0° | 0.2° |
| C24 | C12 | N11 | C10 | 0.8° | 0.0° |
| C12 | C24 | N23 | H231 | 179.1° | 179.7° |
| N25 | C24 | C12 | N11 | 0.8° | 0.2° |
| C24 | N25 | C09 | C10 | 0.6° | 0.0° |
| C24 | N25 | C09 | N06 | 177.4° | 180.0° |
| N25 | C24 | N23 | H231 | 1.1° | 0.0° |
| C12 | N11 | C10 | C09 | 0.1° | 0.3° |
| C12 | N11 | C10 | H101 | 179.9° | 180.0° |
| C16 | C17 | C18 | H171 | 180.0° | 180.0° |
| C16 | C17 | C18 | H181 | 179.7° | 180.0° |
| C18 | C17 | C16 | H161 | 179.9° | 180.0° |
| C17 | C18 | C19 | H191 | 179.9° | 180.0° |
| N25 | C09 | C10 | N11 | 0.6° | 0.3° |
| N25 | C09 | C10 | N06 | 176.8° | 180.0° |
| N25 | C09 | N06 | C07 | 19.0° | 0.0° |
| N25 | C09 | N06 | C05 | 127.3° | 124.2° |
| N25 | C09 | C10 | H101 | 179.4° | 180.0° |
| N11 | C10 | C09 | H101 | 180.0° | 179.7° |
| N11 | C10 | C09 | N06 | 177.4° | 179.8° |
| C10 | C09 | N06 | C07 | 158.0° | 180.0° |
| C10 | C09 | N06 | C05 | 55.8° | 55.8° |
| C09 | N06 | C07 | C08 | 98.6° | 174.2° |
| C09 | N06 | C05 | C04 | 95.3° | 174.2° |
| C09 | N06 | C07 | C05 | 147.4° | 124.1° |
| N06 | C09 | C10 | H101 | 2.6° | 0.1° |
| C09 | N06 | C05 | H051 | 25.3° | 65.8° |
| C09 | N06 | C05 | H052 | 144.2° | 54.2° |
| C09 | N06 | C07 | H072 | 140.7° | 54.2° |
| C09 | N06 | C07 | H071 | 22.0° | 65.8° |
| N03 | C02 | C08 | C04 | 121.3° | 119.9° |
| N03 | C02 | C08 | C01 | 119.4° | 120.2° |
| N03 | C02 | C08 | C07 | 167.0° | 62.3° |
| N03 | C02 | C04 | C01 | 117.4° | 120.1° |
| N03 | C02 | C04 | C05 | 169.6° | 62.3° |
| N03 | C02 | C01 | H013 | 180.0° | 60.1° |
| N03 | C02 | C01 | H012 | 60.0° | 59.9° |
| N03 | C02 | C01 | H011 | 60.0° | 179.9° |
| N03 | C02 | C04 | H041 | 49.0° | 57.6° |
| N03 | C02 | C04 | H042 | 69.8° | 177.8° |
| N03 | C02 | C08 | H082 | 72.2° | 177.8° |
| N03 | C02 | C08 | H081 | 46.3° | 57.7° |
| C02 | N03 | H1 | H032 | 120.0° | 124.1° |
| C02 | C08 | C07 | H082 | 120.7° | 119.9° |
| C02 | C08 | C07 | H081 | 120.7° | 119.9° |
| C08 | C02 | C04 | C01 | 120.7° | 119.9° |
| C08 | C02 | C04 | C05 | 47.7° | 57.6° |
| C02 | C08 | C07 | N06 | 46.5° | 59.2° |
| C08 | C02 | C01 | H013 | 58.9° | 179.7° |
| C08 | C02 | C01 | H012 | 178.9° | 60.3° |
| C08 | C02 | C01 | H011 | 61.1° | 59.7° |
| C08 | C02 | C04 | H041 | 72.9° | 177.6° |
| C08 | C02 | C04 | H042 | 168.3° | 62.3° |
| C02 | C08 | C07 | H072 | 74.1° | 179.2° |
| C02 | C08 | C07 | H071 | 167.2° | 60.9° |
| C02 | C08 | H082 | H081 | 117.7° | 120.1° |
| C08 | C02 | N03 | H1 | 180.0° | 60.1° |
| C08 | C02 | N03 | H032 | 60.0° | 175.9° |
| C07 | C08 | C02 | C04 | 45.8° | 57.6° |
| C08 | C07 | N06 | H072 | 120.6° | 120.0° |
| C08 | C07 | N06 | H071 | 120.6° | 120.0° |
| C08 | C07 | N06 | C05 | 48.8° | 61.8° |
| C07 | C08 | C02 | C01 | 73.5° | 177.5° |
| C08 | C07 | H072 | H071 | 118.0° | 119.9° |
| C07 | C08 | H082 | H081 | 117.7° | 120.2° |
| C02 | C04 | C05 | H041 | 120.6° | 119.9° |
| C02 | C04 | C05 | H042 | 120.6° | 119.9° |
| C02 | C04 | C05 | N06 | 50.9° | 59.2° |
| C04 | C02 | C01 | H013 | 61.4° | 60.0° |
| C04 | C02 | C01 | H012 | 58.5° | 180.0° |
| C04 | C02 | C01 | H011 | 178.6° | 60.0° |
| C02 | C04 | H041 | H042 | 118.2° | 120.1° |
| C02 | C04 | C05 | H051 | 171.5° | 60.8° |
| C02 | C04 | C05 | H052 | 69.7° | 179.2° |
| C04 | C02 | C08 | H082 | 166.5° | 62.3° |
| C04 | C02 | C08 | H081 | 75.0° | 177.6° |
| C04 | C02 | N03 | H1 | 58.6° | 179.8° |
| C04 | C02 | N03 | H032 | 61.4° | 56.1° |
| C04 | C05 | N06 | C07 | 51.1° | 61.8° |
| C04 | C05 | N06 | H051 | 120.6° | 120.0° |
| C04 | C05 | N06 | H052 | 120.6° | 120.0° |
| C05 | C04 | C02 | C01 | 73.0° | 177.5° |
| C05 | C04 | H041 | H042 | 118.2° | 120.1° |
| C04 | C05 | H051 | H052 | 118.2° | 120.0° |
| C07 | N06 | C05 | H051 | 171.7° | 58.2° |
| C07 | N06 | C05 | H052 | 69.5° | 178.2° |
| N06 | C07 | H072 | H071 | 118.0° | 120.0° |
| N06 | C07 | C08 | H082 | 167.2° | 60.7° |
| N06 | C07 | C08 | H081 | 74.2° | 179.1° |
| N06 | C05 | C04 | H041 | 69.7° | 179.1° |
| N06 | C05 | C04 | H042 | 171.5° | 60.7° |
| N06 | C05 | H051 | H052 | 118.2° | 120.0° |
| C05 | N06 | C07 | H072 | 71.9° | 178.2° |
| C05 | N06 | C07 | H071 | 169.4° | 58.2° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 119.9° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | C02 | C04 | H041 | 166.4° | 62.5° |
| C01 | C02 | C04 | H042 | 47.6° | 57.6° |
| C01 | C02 | C08 | H082 | 47.2° | 57.6° |
| C01 | C02 | C08 | H081 | 165.7° | 62.5° |
| C01 | C02 | N03 | H1 | 59.1° | 60.0° |
| C01 | C02 | N03 | H032 | 179.1° | 64.0° |
| H171 | C17 | C16 | H161 | 0.0° | 0.0° |
| H171 | C17 | C18 | H181 | 0.3° | 0.0° |
| H013 | C01 | H012 | H011 | 120.0° | 120.1° |
| H041 | C04 | C05 | H051 | 50.9° | 59.1° |
| H041 | C04 | C05 | H052 | 169.7° | 60.9° |
| H042 | C04 | C05 | H051 | 67.9° | 179.3° |
| H042 | C04 | C05 | H052 | 50.9° | 59.3° |
| H072 | C07 | C08 | H082 | 46.6° | 59.3° |
| H072 | C07 | C08 | H081 | 165.1° | 60.8° |
| H071 | C07 | C08 | H082 | 72.1° | 179.2° |
| H071 | C07 | C08 | H081 | 46.4° | 59.1° |
| H181 | C18 | C19 | H191 | 0.1° | 0.1° |
