ZN4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | S02 | doub | 1.42Å | 1.41Å | |
| S02 | C03 | sing | 1.81Å | 1.78Å | |
| S02 | N11 | sing | 1.66Å | 1.67Å | |
| S02 | O19 | doub | 1.42Å | 1.41Å | |
| C03 | C04 | sing | 1.51Å | 1.51Å | |
| C04 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | CL8 | sing | 1.74Å | 1.73Å | |
| C07 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| N11 | C12 | sing | 1.47Å | 1.49Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C13 | N14 | sing | 1.47Å | 1.53Å | |
| N14 | C15 | sing | 1.47Å | 1.52Å | |
| N14 | C17 | sing | 1.47Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | S02 | C03 | 109.3° | 110.5° |
| O01 | S02 | N11 | 110.5° | 104.3° |
| O01 | S02 | O19 | 118.3° | 121.0° |
| C03 | S02 | N11 | 104.3° | 104.5° |
| C03 | S02 | O19 | 107.4° | 110.5° |
| S02 | C03 | C04 | 117.0° | 109.5° |
| S02 | C03 | H031 | 107.6° | 109.4° |
| S02 | C03 | H032 | 107.6° | 109.5° |
| N11 | S02 | O19 | 106.1° | 104.3° |
| S02 | N11 | C12 | 125.2° | 120.0° |
| S02 | N11 | H11 | 105.4° | 120.1° |
| C03 | C04 | C05 | 121.9° | 120.0° |
| C03 | C04 | C10 | 121.2° | 120.0° |
| C04 | C03 | H031 | 107.5° | 109.5° |
| C04 | C03 | H032 | 107.6° | 109.5° |
| C05 | C04 | C10 | 116.8° | 120.0° |
| C04 | C05 | C06 | 121.8° | 120.0° |
| C04 | C05 | H05 | 119.1° | 120.0° |
| C04 | C10 | C09 | 122.2° | 120.0° |
| C04 | C10 | H10 | 118.9° | 119.9° |
| C05 | C06 | C07 | 119.4° | 120.0° |
| C06 | C05 | H05 | 119.1° | 120.0° |
| C05 | C06 | H06 | 120.3° | 120.0° |
| C06 | C07 | CL8 | 119.1° | 120.0° |
| C06 | C07 | C09 | 120.7° | 120.0° |
| C07 | C06 | H06 | 120.3° | 120.0° |
| CL8 | C07 | C09 | 120.2° | 120.0° |
| C07 | C09 | C10 | 119.1° | 120.0° |
| C07 | C09 | H09 | 120.4° | 120.1° |
| C09 | C10 | H10 | 118.9° | 120.1° |
| C10 | C09 | H09 | 120.4° | 120.0° |
| N11 | C12 | C13 | 115.0° | 109.5° |
| C12 | N11 | H11 | 105.4° | 119.9° |
| N11 | C12 | H121 | 108.1° | 109.4° |
| N11 | C12 | H122 | 108.1° | 109.4° |
| C12 | C13 | N14 | 106.1° | 109.5° |
| C13 | C12 | H121 | 108.1° | 109.5° |
| C13 | C12 | H122 | 108.0° | 109.5° |
| C12 | C13 | H131 | 110.3° | 109.5° |
| C12 | C13 | H132 | 110.3° | 109.4° |
| C13 | N14 | C15 | 112.7° | 111.0° |
| C13 | N14 | C17 | 111.0° | 111.0° |
| N14 | C13 | H131 | 110.3° | 109.5° |
| N14 | C13 | H132 | 110.3° | 109.5° |
| C15 | N14 | C17 | 107.5° | 111.0° |
| N14 | C15 | C16 | 116.5° | 109.5° |
| N14 | C15 | H151 | 107.7° | 109.4° |
| N14 | C15 | H152 | 107.7° | 109.5° |
| N14 | C17 | C18 | 115.7° | 109.5° |
| N14 | C17 | H171 | 107.9° | 109.5° |
| N14 | C17 | H172 | 107.9° | 109.5° |
| C16 | C15 | H151 | 107.7° | 109.5° |
| C16 | C15 | H152 | 107.7° | 109.5° |
| C15 | C16 | H161 | 109.5° | 109.4° |
| C15 | C16 | H162 | 109.5° | 109.5° |
| C15 | C16 | H163 | 109.5° | 109.4° |
| C18 | C17 | H171 | 107.9° | 109.4° |
| C18 | C17 | H172 | 107.9° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.4° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.4° |
| H031 | C03 | H032 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.4° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.4° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | S02 | C03 | N11 | 118.2° | 111.6° |
| O01 | S02 | C03 | O19 | 129.5° | 136.7° |
| O01 | S02 | N11 | O19 | 129.4° | 127.8° |
| O01 | S02 | C03 | C04 | 151.4° | 68.4° |
| O01 | S02 | N11 | C12 | 93.6° | 178.9° |
| O01 | S02 | C03 | H031 | 30.3° | 171.6° |
| O01 | S02 | C03 | H032 | 87.5° | 51.7° |
| O01 | S02 | N11 | H11 | 144.3° | 1.1° |
| C03 | S02 | N11 | O19 | 113.2° | 116.1° |
| S02 | C03 | C04 | H031 | 121.1° | 120.0° |
| S02 | C03 | C04 | H032 | 121.1° | 120.1° |
| S02 | C03 | C04 | C05 | 116.7° | 89.9° |
| S02 | C03 | C04 | C10 | 60.2° | 90.0° |
| C03 | S02 | N11 | C12 | 149.0° | 65.0° |
| S02 | C03 | H031 | H032 | 116.6° | 120.0° |
| C03 | S02 | N11 | H11 | 26.9° | 115.0° |
| N11 | S02 | C03 | C04 | 90.4° | 180.0° |
| S02 | N11 | C12 | H11 | 122.1° | 180.0° |
| S02 | N11 | C12 | C13 | 92.7° | 165.0° |
| N11 | S02 | C03 | H031 | 148.5° | 60.0° |
| N11 | S02 | C03 | H032 | 30.7° | 59.9° |
| S02 | N11 | C12 | H121 | 28.1° | 75.0° |
| S02 | N11 | C12 | H122 | 146.5° | 45.0° |
| O19 | S02 | C03 | C04 | 21.9° | 68.3° |
| O19 | S02 | N11 | C12 | 35.8° | 51.1° |
| O19 | S02 | C03 | H031 | 99.2° | 51.7° |
| O19 | S02 | C03 | H032 | 143.0° | 171.6° |
| O19 | S02 | N11 | H11 | 86.3° | 128.9° |
| C03 | C04 | C05 | C10 | 177.1° | 179.9° |
| C03 | C04 | C05 | C06 | 176.8° | 180.0° |
| C03 | C04 | C10 | C09 | 176.7° | 180.0° |
| C04 | C03 | H031 | H032 | 116.6° | 120.0° |
| C03 | C04 | C05 | H05 | 3.2° | 0.2° |
| C03 | C04 | C10 | H10 | 3.3° | 0.1° |
| C04 | C05 | C06 | H05 | 180.0° | 179.8° |
| C04 | C05 | C06 | C07 | 0.0° | 0.0° |
| C05 | C04 | C10 | C09 | 0.4° | 0.0° |
| C05 | C04 | C03 | H031 | 4.4° | 30.0° |
| C05 | C04 | C03 | H032 | 122.2° | 150.0° |
| C05 | C04 | C10 | H10 | 179.6° | 180.0° |
| C04 | C05 | C06 | H06 | 180.0° | 179.7° |
| C10 | C04 | C05 | C06 | 0.3° | 0.0° |
| C04 | C10 | C09 | C07 | 0.2° | 0.0° |
| C04 | C10 | C09 | H10 | 180.0° | 179.9° |
| C10 | C04 | C03 | H031 | 178.7° | 150.0° |
| C10 | C04 | C03 | H032 | 60.9° | 30.1° |
| C10 | C04 | C05 | H05 | 179.7° | 179.7° |
| C04 | C10 | C09 | H09 | 179.8° | 179.9° |
| C05 | C06 | C07 | H06 | 180.0° | 179.7° |
| C05 | C06 | C07 | CL8 | 178.9° | 180.0° |
| C05 | C06 | C07 | C09 | 0.2° | 0.0° |
| C06 | C07 | CL8 | C09 | 179.0° | 180.0° |
| C06 | C07 | C09 | C10 | 0.1° | 0.0° |
| C07 | C06 | C05 | H05 | 180.0° | 179.7° |
| C06 | C07 | C09 | H09 | 180.0° | 179.9° |
| CL8 | C07 | C09 | C10 | 179.0° | 180.0° |
| CL8 | C07 | C06 | H06 | 1.2° | 0.3° |
| CL8 | C07 | C09 | H09 | 1.0° | 0.1° |
| C07 | C09 | C10 | H09 | 180.0° | 179.9° |
| C07 | C09 | C10 | H10 | 179.8° | 180.0° |
| C09 | C07 | C06 | H06 | 179.8° | 179.7° |
| N11 | C12 | C13 | H121 | 120.8° | 120.0° |
| N11 | C12 | C13 | H122 | 120.8° | 120.0° |
| N11 | C12 | C13 | N14 | 16.7° | 176.7° |
| N11 | C12 | H121 | H122 | 117.5° | 119.9° |
| N11 | C12 | C13 | H131 | 136.2° | 63.3° |
| N11 | C12 | C13 | H132 | 102.7° | 56.7° |
| C12 | C13 | N14 | H131 | 119.5° | 120.0° |
| C12 | C13 | N14 | H132 | 119.5° | 120.0° |
| C12 | C13 | N14 | C15 | 107.9° | 164.8° |
| C12 | C13 | N14 | C17 | 131.4° | 71.2° |
| C13 | C12 | N11 | H11 | 145.2° | 15.0° |
| C13 | C12 | H121 | H122 | 117.4° | 120.1° |
| C12 | C13 | H131 | H132 | 121.6° | 120.0° |
| C13 | N14 | C15 | C17 | 122.6° | 124.0° |
| C13 | N14 | C15 | C16 | 26.9° | 72.1° |
| C13 | N14 | C17 | C18 | 48.0° | 170.0° |
| N14 | C13 | C12 | H121 | 104.1° | 63.3° |
| N14 | C13 | C12 | H122 | 137.6° | 56.7° |
| N14 | C13 | H131 | H132 | 121.5° | 120.0° |
| C13 | N14 | C15 | H151 | 148.0° | 167.9° |
| C13 | N14 | C15 | H152 | 94.1° | 47.9° |
| C13 | N14 | C17 | H171 | 168.9° | 50.0° |
| C13 | N14 | C17 | H172 | 72.9° | 70.0° |
| N14 | C15 | C16 | H151 | 121.0° | 120.0° |
| N14 | C15 | C16 | H152 | 121.0° | 120.0° |
| C15 | N14 | C17 | C18 | 75.7° | 66.0° |
| C15 | N14 | C13 | H131 | 132.6° | 44.7° |
| C15 | N14 | C13 | H132 | 11.6° | 75.3° |
| N14 | C15 | H151 | H152 | 116.8° | 120.0° |
| C15 | N14 | C17 | H171 | 45.2° | 174.0° |
| C15 | N14 | C17 | H172 | 163.4° | 54.0° |
| N14 | C15 | C16 | H161 | 180.0° | 172.5° |
| N14 | C15 | C16 | H162 | 60.0° | 67.5° |
| N14 | C15 | C16 | H163 | 60.0° | 52.5° |
| C17 | N14 | C15 | C16 | 149.6° | 163.9° |
| N14 | C17 | C18 | H171 | 120.9° | 120.0° |
| N14 | C17 | C18 | H172 | 120.9° | 120.0° |
| C17 | N14 | C13 | H131 | 12.0° | 168.7° |
| C17 | N14 | C13 | H132 | 109.1° | 48.7° |
| C17 | N14 | C15 | H151 | 89.4° | 43.9° |
| C17 | N14 | C15 | H152 | 28.6° | 76.1° |
| N14 | C17 | H171 | H172 | 117.1° | 120.0° |
| N14 | C17 | C18 | H181 | 180.0° | 180.0° |
| N14 | C17 | C18 | H182 | 60.0° | 60.0° |
| N14 | C17 | C18 | H183 | 60.0° | 60.0° |
| C16 | C15 | H151 | H152 | 116.8° | 120.0° |
| C15 | C16 | H161 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H163 | 120.0° | 120.0° |
| C15 | C16 | H162 | H163 | 120.0° | 120.0° |
| C18 | C17 | H171 | H172 | 117.2° | 120.0° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H183 | 120.0° | 120.0° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| H11 | N11 | C12 | H121 | 94.0° | 105.0° |
| H11 | N11 | C12 | H122 | 24.3° | 135.1° |
| H05 | C05 | C06 | H06 | 0.0° | 0.0° |
| H10 | C10 | C09 | H09 | 0.3° | 0.0° |
| H121 | C12 | C13 | H131 | 15.4° | 56.7° |
| H121 | C12 | C13 | H132 | 136.4° | 176.7° |
| H122 | C12 | C13 | H131 | 102.9° | 176.7° |
| H122 | C12 | C13 | H132 | 18.1° | 63.3° |
| H151 | C15 | C16 | H161 | 59.0° | 52.6° |
| H151 | C15 | C16 | H162 | 179.0° | 172.6° |
| H151 | C15 | C16 | H163 | 61.1° | 67.5° |
| H152 | C15 | C16 | H161 | 59.0° | 67.5° |
| H152 | C15 | C16 | H162 | 61.0° | 52.5° |
| H152 | C15 | C16 | H163 | 179.0° | 172.5° |
| H171 | C17 | C18 | H181 | 59.1° | 60.0° |
| H171 | C17 | C18 | H182 | 179.1° | 180.0° |
| H171 | C17 | C18 | H183 | 60.9° | 60.0° |
| H172 | C17 | C18 | H181 | 59.1° | 60.0° |
| H172 | C17 | C18 | H182 | 60.9° | 60.0° |
| H172 | C17 | C18 | H183 | 179.1° | 180.0° |
| H161 | C16 | H162 | H163 | 120.0° | 120.1° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
