ZUJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C08 | doub | 1.21Å | 1.17Å | |
| C09 | C08 | sing | 1.52Å | 1.28Å | |
| C09 | C10 | sing | 1.53Å | 1.37Å | |
| C08 | O07 | sing | 1.35Å | 1.50Å | |
| O07 | C06 | sing | 1.36Å | 1.26Å | |
| C10 | C01 | sing | 1.51Å | 1.37Å | |
| C06 | C01 | doub | 1.38Å | 1.48Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.43Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.27Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.36Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.46Å | Aromatic |
| C04 | O12 | sing | 1.36Å | 1.40Å | |
| O12 | C13 | sing | 1.43Å | 1.42Å | |
| C13 | C14 | sing | 1.51Å | 1.59Å | |
| O15 | C14 | doub | 1.21Å | 1.27Å | |
| C14 | N16 | sing | 1.35Å | 1.48Å | |
| N16 | C17 | sing | 1.40Å | 1.46Å | |
| C17 | C22 | doub | 1.39Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.43Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | S23 | sing | 1.76Å | 1.75Å | |
| N26 | S23 | sing | 1.66Å | 1.64Å | |
| O24 | S23 | doub | 1.42Å | 1.44Å | |
| S23 | O25 | doub | 1.42Å | 1.45Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C09 | H2 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| N26 | H261 | sing | 0.97Å | 1.00Å | |
| N26 | H262 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C08 | C09 | 116.6° | 121.5° |
| O11 | C08 | O07 | 108.9° | 121.5° |
| C08 | C09 | C10 | 106.1° | 107.5° |
| C09 | C08 | O07 | 131.9° | 117.0° |
| C08 | C09 | H2 | 110.3° | 109.9° |
| C08 | C09 | H091 | 110.3° | 109.8° |
| C09 | C10 | C01 | 110.5° | 109.8° |
| C09 | C10 | H101 | 109.2° | 109.4° |
| C09 | C10 | H1 | 109.2° | 109.4° |
| C10 | C09 | H2 | 110.3° | 109.9° |
| C10 | C09 | H091 | 110.3° | 109.8° |
| C08 | O07 | C06 | 106.6° | 117.0° |
| O07 | C06 | C01 | 119.1° | 122.0° |
| O07 | C06 | C05 | 118.7° | 118.1° |
| C10 | C01 | C06 | 124.0° | 121.9° |
| C10 | C01 | C02 | 117.2° | 118.3° |
| C01 | C10 | H101 | 109.2° | 109.4° |
| C01 | C10 | H1 | 109.2° | 109.5° |
| C01 | C06 | C05 | 122.2° | 119.9° |
| C06 | C01 | C02 | 118.4° | 119.7° |
| C06 | C05 | C04 | 116.0° | 120.2° |
| C06 | C05 | H051 | 122.0° | 119.9° |
| C01 | C02 | C03 | 122.6° | 120.5° |
| C01 | C02 | H021 | 118.7° | 119.7° |
| C05 | C04 | C03 | 118.4° | 119.8° |
| C05 | C04 | O12 | 124.4° | 120.1° |
| C04 | C05 | H051 | 122.0° | 119.9° |
| C02 | C03 | C04 | 122.2° | 120.0° |
| C03 | C02 | H021 | 118.7° | 119.8° |
| C02 | C03 | H031 | 118.9° | 120.0° |
| C03 | C04 | O12 | 117.2° | 120.1° |
| C04 | C03 | H031 | 118.9° | 120.0° |
| C04 | O12 | C13 | 115.2° | 117.0° |
| O12 | C13 | C14 | 119.2° | 109.5° |
| O12 | C13 | H132 | 107.0° | 109.4° |
| O12 | C13 | H131 | 107.0° | 109.4° |
| C13 | C14 | O15 | 113.6° | 120.0° |
| C13 | C14 | N16 | 128.2° | 120.0° |
| C14 | C13 | H132 | 107.0° | 109.5° |
| C14 | C13 | H131 | 107.0° | 109.5° |
| O15 | C14 | N16 | 118.2° | 120.0° |
| C14 | N16 | C17 | 130.8° | 120.0° |
| C14 | N16 | H161 | 114.6° | 120.0° |
| N16 | C17 | C22 | 120.6° | 120.1° |
| N16 | C17 | C18 | 124.9° | 120.0° |
| C17 | N16 | H161 | 114.6° | 120.1° |
| C22 | C17 | C18 | 114.4° | 119.9° |
| C17 | C22 | C21 | 122.9° | 120.0° |
| C17 | C22 | H221 | 118.5° | 120.0° |
| C17 | C18 | C19 | 121.7° | 119.9° |
| C17 | C18 | H181 | 119.1° | 120.1° |
| C22 | C21 | C20 | 124.7° | 120.1° |
| C22 | C21 | H211 | 117.7° | 120.0° |
| C21 | C22 | H221 | 118.5° | 120.0° |
| C18 | C19 | C20 | 123.4° | 120.0° |
| C19 | C18 | H181 | 119.1° | 120.0° |
| C18 | C19 | H191 | 118.3° | 120.0° |
| C21 | C20 | C19 | 112.8° | 120.2° |
| C21 | C20 | S23 | 121.6° | 119.9° |
| C20 | C21 | H211 | 117.6° | 119.9° |
| C19 | C20 | S23 | 125.6° | 119.9° |
| C20 | C19 | H191 | 118.3° | 120.0° |
| C20 | S23 | N26 | 106.9° | 107.2° |
| C20 | S23 | O24 | 107.1° | 106.4° |
| C20 | S23 | O25 | 108.8° | 106.4° |
| N26 | S23 | O24 | 108.1° | 106.4° |
| N26 | S23 | O25 | 109.8° | 106.4° |
| S23 | N26 | H261 | 109.5° | 120.0° |
| S23 | N26 | H262 | 109.5° | 120.0° |
| O24 | S23 | O25 | 115.7° | 123.1° |
| H101 | C10 | H1 | 109.5° | 109.4° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H2 | C09 | H091 | 109.5° | 109.8° |
| H261 | N26 | H262 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C08 | C09 | O07 | 159.3° | 180.0° |
| O11 | C08 | C09 | C10 | 107.4° | 121.5° |
| O11 | C08 | O07 | C06 | 140.3° | 138.5° |
| O11 | C08 | C09 | H2 | 133.1° | 1.9° |
| O11 | C08 | C09 | H091 | 12.1° | 119.0° |
| C08 | C09 | C10 | H2 | 119.5° | 119.6° |
| C08 | C09 | C10 | H091 | 119.5° | 119.5° |
| C09 | C08 | O07 | C06 | 20.1° | 41.4° |
| C08 | C09 | C10 | C01 | 48.3° | 43.6° |
| C08 | C09 | C10 | H101 | 168.4° | 76.4° |
| C08 | C09 | C10 | H1 | 71.8° | 163.8° |
| C08 | C09 | H2 | H091 | 121.6° | 120.9° |
| C10 | C09 | C08 | O07 | 51.8° | 58.5° |
| C09 | C10 | C01 | H101 | 120.1° | 120.0° |
| C09 | C10 | C01 | H1 | 120.1° | 120.1° |
| C09 | C10 | C01 | C06 | 28.7° | 19.8° |
| C09 | C10 | C01 | C02 | 143.9° | 160.2° |
| C09 | C10 | H101 | H1 | 119.6° | 119.8° |
| C10 | C09 | H2 | H091 | 121.6° | 120.9° |
| C08 | O07 | C06 | C01 | 9.8° | 11.1° |
| C08 | O07 | C06 | C05 | 170.4° | 169.5° |
| O07 | C08 | C09 | H2 | 67.6° | 178.1° |
| O07 | C08 | C09 | H091 | 171.3° | 61.0° |
| O07 | C06 | C01 | C10 | 3.6° | 1.1° |
| O07 | C06 | C01 | C05 | 179.8° | 179.4° |
| O07 | C06 | C01 | C02 | 176.2° | 178.9° |
| O07 | C06 | C05 | C04 | 179.1° | 179.1° |
| O07 | C06 | C05 | H051 | 0.9° | 0.9° |
| C10 | C01 | C06 | C02 | 172.5° | 180.0° |
| C10 | C01 | C06 | C05 | 176.6° | 179.5° |
| C10 | C01 | C02 | C03 | 177.8° | 179.7° |
| C01 | C10 | H101 | H1 | 119.5° | 119.9° |
| C10 | C01 | C02 | H021 | 2.2° | 0.2° |
| C01 | C10 | C09 | H2 | 71.2° | 163.2° |
| C01 | C10 | C09 | H091 | 167.8° | 75.8° |
| C01 | C06 | C05 | C04 | 1.1° | 0.4° |
| C06 | C01 | C02 | C03 | 4.8° | 0.3° |
| C06 | C01 | C10 | H101 | 148.8° | 100.2° |
| C06 | C01 | C10 | H1 | 91.5° | 139.9° |
| C06 | C01 | C02 | H021 | 175.2° | 179.8° |
| C01 | C06 | C05 | H051 | 178.9° | 179.7° |
| C05 | C06 | C01 | C02 | 4.1° | 0.5° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.9° | 0.1° |
| C06 | C05 | C04 | O12 | 179.3° | 179.9° |
| C01 | C02 | C03 | H021 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 2.8° | 0.0° |
| C02 | C01 | C10 | H101 | 23.8° | 79.7° |
| C02 | C01 | C10 | H1 | 95.9° | 40.2° |
| C01 | C02 | C03 | H031 | 177.2° | 179.9° |
| C05 | C04 | C03 | C02 | 0.3° | 0.1° |
| C05 | C04 | C03 | O12 | 178.5° | 180.0° |
| C05 | C04 | O12 | C13 | 166.3° | 180.0° |
| C05 | C04 | C03 | H031 | 179.7° | 179.8° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | O12 | 178.8° | 179.9° |
| C03 | C04 | O12 | C13 | 12.1° | 0.0° |
| C04 | C03 | C02 | H021 | 177.2° | 179.9° |
| C03 | C04 | C05 | H051 | 179.1° | 180.0° |
| C04 | O12 | C13 | C14 | 164.0° | 180.0° |
| C04 | O12 | C13 | H132 | 42.6° | 60.0° |
| C04 | O12 | C13 | H131 | 74.6° | 60.0° |
| O12 | C04 | C03 | H031 | 1.2° | 0.2° |
| O12 | C04 | C05 | H051 | 0.7° | 0.0° |
| O12 | C13 | C14 | H132 | 121.4° | 120.0° |
| O12 | C13 | C14 | H131 | 121.4° | 120.0° |
| O12 | C13 | C14 | O15 | 25.4° | 0.0° |
| O12 | C13 | C14 | N16 | 154.4° | 180.0° |
| O12 | C13 | H132 | H131 | 115.6° | 119.9° |
| C13 | C14 | O15 | N16 | 179.8° | 180.0° |
| C13 | C14 | N16 | C17 | 179.8° | 174.7° |
| C14 | C13 | H132 | H131 | 115.6° | 120.0° |
| C13 | C14 | N16 | H161 | 0.2° | 5.3° |
| O15 | C14 | N16 | C17 | 0.0° | 5.3° |
| O15 | C14 | C13 | H132 | 96.0° | 120.0° |
| O15 | C14 | C13 | H131 | 146.7° | 120.0° |
| O15 | C14 | N16 | H161 | 180.0° | 174.7° |
| C14 | N16 | C17 | H161 | 180.0° | 180.0° |
| C14 | N16 | C17 | C22 | 41.9° | 33.3° |
| C14 | N16 | C17 | C18 | 137.1° | 146.9° |
| N16 | C14 | C13 | H132 | 84.2° | 60.0° |
| N16 | C14 | C13 | H131 | 33.0° | 60.0° |
| N16 | C17 | C22 | C18 | 179.1° | 179.7° |
| N16 | C17 | C22 | C21 | 179.1° | 179.7° |
| N16 | C17 | C18 | C19 | 179.6° | 179.7° |
| N16 | C17 | C22 | H221 | 0.9° | 0.3° |
| N16 | C17 | C18 | H181 | 0.4° | 0.2° |
| C17 | C22 | C21 | H221 | 180.0° | 180.0° |
| C22 | C17 | C18 | C19 | 0.6° | 0.0° |
| C17 | C22 | C21 | C20 | 0.0° | 0.0° |
| C17 | C22 | C21 | H211 | 179.9° | 180.0° |
| C22 | C17 | C18 | H181 | 179.4° | 180.0° |
| C22 | C17 | N16 | H161 | 138.1° | 146.6° |
| C18 | C17 | C22 | C21 | 0.0° | 0.0° |
| C17 | C18 | C19 | H181 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 1.2° | 0.0° |
| C18 | C17 | C22 | H221 | 180.0° | 180.0° |
| C17 | C18 | C19 | H191 | 178.8° | 180.0° |
| C18 | C17 | N16 | H161 | 42.9° | 33.1° |
| C22 | C21 | C20 | H211 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.5° | 0.0° |
| C22 | C21 | C20 | S23 | 179.7° | 180.0° |
| C18 | C19 | C20 | C21 | 1.1° | 0.0° |
| C18 | C19 | C20 | H191 | 180.0° | 180.0° |
| C18 | C19 | C20 | S23 | 179.2° | 180.0° |
| C21 | C20 | C19 | S23 | 179.8° | 180.0° |
| C21 | C20 | S23 | N26 | 129.8° | 90.0° |
| C21 | C20 | S23 | O24 | 14.1° | 156.4° |
| C21 | C20 | S23 | O25 | 111.7° | 23.6° |
| C20 | C21 | C22 | H221 | 180.0° | 180.0° |
| C21 | C20 | C19 | H191 | 178.9° | 180.0° |
| C19 | C20 | S23 | N26 | 50.4° | 90.0° |
| C19 | C20 | S23 | O24 | 166.2° | 23.6° |
| C19 | C20 | S23 | O25 | 68.1° | 156.4° |
| C19 | C20 | C21 | H211 | 179.5° | 180.0° |
| C20 | C19 | C18 | H181 | 178.8° | 179.9° |
| C20 | S23 | N26 | O24 | 115.1° | 113.6° |
| C20 | S23 | N26 | O25 | 117.9° | 113.6° |
| C20 | S23 | O24 | O25 | 121.5° | 122.9° |
| S23 | C20 | C21 | H211 | 0.2° | 0.0° |
| S23 | C20 | C19 | H191 | 0.8° | 0.0° |
| C20 | S23 | N26 | H261 | 180.0° | 150.0° |
| C20 | S23 | N26 | H262 | 60.0° | 30.0° |
| N26 | S23 | O24 | O25 | 123.5° | 122.9° |
| S23 | N26 | H261 | H262 | 120.0° | 179.9° |
| O24 | S23 | N26 | H261 | 64.9° | 36.5° |
| O24 | S23 | N26 | H262 | 55.1° | 143.6° |
| O25 | S23 | N26 | H261 | 62.1° | 96.4° |
| O25 | S23 | N26 | H262 | 177.9° | 83.6° |
| H101 | C10 | C09 | H2 | 48.9° | 43.2° |
| H101 | C10 | C09 | H091 | 72.1° | 164.1° |
| H1 | C10 | C09 | H2 | 168.7° | 76.6° |
| H1 | C10 | C09 | H091 | 47.6° | 44.3° |
| H211 | C21 | C22 | H221 | 0.1° | 0.0° |
| H021 | C02 | C03 | H031 | 2.8° | 0.1° |
| H181 | C18 | C19 | H191 | 1.2° | 0.1° |
