ZUY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S06 | C07 | sing | 1.76Å | 1.82Å | |
| S06 | C05 | sing | 1.76Å | 1.76Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| N04 | C05 | doub | 1.31Å | 1.32Å | Aromatic |
| N04 | C03 | sing | 1.36Å | 1.36Å | Aromatic |
| C14 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | trip | 1.17Å | 1.21Å | |
| C05 | N16 | sing | 1.37Å | 1.33Å | Aromatic |
| N01 | C02 | sing | 1.39Å | 1.39Å | |
| C09 | C08 | sing | 1.51Å | 1.51Å | |
| C08 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.47Å | 1.57Å | |
| C03 | C02 | doub | 1.40Å | 1.40Å | Aromatic |
| C03 | C22 | sing | 1.40Å | 1.35Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.55Å | |
| C02 | N25 | sing | 1.33Å | 1.36Å | Aromatic |
| N16 | C22 | sing | 1.38Å | 1.35Å | Aromatic |
| N16 | C17 | sing | 1.47Å | 1.47Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C22 | N23 | doub | 1.33Å | 1.36Å | Aromatic |
| N25 | C24 | doub | 1.32Å | 1.32Å | Aromatic |
| N23 | C24 | sing | 1.32Å | 1.34Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.05Å | 1.06Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N01 | H20 | sing | 0.97Å | 1.00Å | |
| N01 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | S06 | C05 | 106.7° | 100.0° |
| S06 | C07 | C14 | 116.3° | 120.0° |
| S06 | C07 | C08 | 119.0° | 120.1° |
| S06 | C05 | N04 | 123.2° | 125.1° |
| S06 | C05 | N16 | 125.8° | 125.1° |
| C15 | C14 | C07 | 125.0° | 120.1° |
| C15 | C14 | C13 | 118.9° | 120.0° |
| C14 | C15 | H3 | 109.5° | 109.4° |
| C14 | C15 | H4 | 109.5° | 109.5° |
| C14 | C15 | H5 | 109.5° | 109.5° |
| C05 | N04 | C03 | 106.6° | 109.4° |
| N04 | C05 | N16 | 110.8° | 109.8° |
| N04 | C03 | C02 | 134.0° | 134.5° |
| N04 | C03 | C22 | 108.0° | 107.3° |
| C07 | C14 | C13 | 116.1° | 119.9° |
| C14 | C07 | C08 | 124.6° | 119.9° |
| C14 | C13 | C11 | 121.4° | 120.1° |
| C14 | C13 | H2 | 119.3° | 120.0° |
| C07 | C08 | C09 | 125.7° | 120.1° |
| C07 | C08 | C10 | 117.7° | 119.9° |
| C21 | C20 | C19 | 169.3° | 180.0° |
| C20 | C21 | H8 | 180.0° | 180.0° |
| C05 | N16 | C22 | 106.9° | 107.4° |
| C05 | N16 | C17 | 128.5° | 126.3° |
| N01 | C02 | C03 | 122.7° | 120.7° |
| N01 | C02 | N25 | 120.2° | 120.8° |
| C02 | N01 | H20 | 109.5° | 120.0° |
| C02 | N01 | H21 | 109.5° | 120.0° |
| C09 | C08 | C10 | 116.5° | 120.0° |
| C08 | C09 | H10 | 109.5° | 109.5° |
| C08 | C09 | H11 | 109.5° | 109.5° |
| C08 | C09 | H12 | 109.4° | 109.4° |
| C08 | C10 | C11 | 117.4° | 120.1° |
| C08 | C10 | H1 | 121.3° | 119.9° |
| C13 | C11 | C10 | 122.8° | 120.2° |
| C13 | C11 | C12 | 119.5° | 119.9° |
| C11 | C13 | H2 | 119.3° | 120.0° |
| C20 | C19 | C18 | 121.2° | 109.4° |
| C20 | C19 | H18 | 106.4° | 109.5° |
| C20 | C19 | H19 | 106.4° | 109.5° |
| C02 | C03 | C22 | 118.0° | 118.2° |
| C03 | C02 | N25 | 117.1° | 118.5° |
| C03 | C22 | N16 | 107.4° | 106.2° |
| C03 | C22 | N23 | 123.1° | 119.1° |
| C10 | C11 | C12 | 117.7° | 119.9° |
| C11 | C10 | H1 | 121.3° | 120.0° |
| C11 | C12 | H13 | 109.5° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C02 | N25 | C24 | 122.5° | 121.1° |
| C22 | N16 | C17 | 124.4° | 126.3° |
| N16 | C22 | N23 | 129.5° | 134.7° |
| N16 | C17 | C18 | 107.7° | 109.5° |
| N16 | C17 | H6 | 109.9° | 109.5° |
| N16 | C17 | H7 | 109.9° | 109.5° |
| C19 | C18 | C17 | 117.2° | 109.4° |
| C19 | C18 | H16 | 107.5° | 109.5° |
| C19 | C18 | H17 | 107.5° | 109.5° |
| C18 | C19 | H18 | 106.5° | 109.5° |
| C18 | C19 | H19 | 106.5° | 109.5° |
| C18 | C17 | H6 | 109.9° | 109.5° |
| C18 | C17 | H7 | 109.9° | 109.5° |
| C17 | C18 | H16 | 107.5° | 109.5° |
| C17 | C18 | H17 | 107.5° | 109.5° |
| C22 | N23 | C24 | 117.3° | 120.6° |
| N25 | C24 | N23 | 122.0° | 122.5° |
| N25 | C24 | H9 | 119.0° | 118.8° |
| N23 | C24 | H9 | 119.0° | 118.7° |
| H3 | C15 | H4 | 109.4° | 109.5° |
| H3 | C15 | H5 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H6 | C17 | H7 | 109.5° | 109.4° |
| H10 | C09 | H11 | 109.5° | 109.5° |
| H10 | C09 | H12 | 109.4° | 109.5° |
| H11 | C09 | H12 | 109.5° | 109.4° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H13 | C12 | H15 | 109.4° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.4° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H20 | N01 | H21 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S06 | C07 | C14 | C15 | 0.6° | 0.5° |
| C07 | S06 | C05 | N04 | 118.6° | 0.5° |
| S06 | C07 | C14 | C08 | 177.2° | 179.5° |
| S06 | C07 | C14 | C13 | 177.3° | 179.8° |
| C07 | S06 | C05 | N16 | 67.9° | 180.0° |
| S06 | C07 | C08 | C09 | 1.2° | 0.0° |
| S06 | C07 | C08 | C10 | 176.5° | 180.0° |
| S06 | C05 | N04 | N16 | 174.4° | 179.5° |
| S06 | C05 | N04 | C03 | 179.8° | 179.8° |
| C05 | S06 | C07 | C14 | 132.3° | 90.5° |
| C05 | S06 | C07 | C08 | 50.3° | 90.0° |
| S06 | C05 | N16 | C22 | 179.8° | 179.9° |
| S06 | C05 | N16 | C17 | 3.3° | 0.5° |
| C15 | C14 | C07 | C13 | 177.9° | 179.3° |
| C15 | C14 | C07 | C08 | 177.8° | 179.9° |
| C15 | C14 | C13 | C11 | 178.5° | 179.8° |
| C15 | C14 | C13 | H2 | 1.5° | 0.2° |
| C14 | C15 | H3 | H4 | 120.0° | 120.0° |
| C14 | C15 | H3 | H5 | 120.0° | 120.0° |
| C14 | C15 | H4 | H5 | 120.0° | 120.0° |
| C05 | N04 | C03 | C02 | 179.6° | 180.0° |
| C05 | N04 | C03 | C22 | 3.3° | 0.0° |
| N04 | C05 | N16 | C22 | 6.0° | 0.4° |
| N04 | C05 | N16 | C17 | 177.5° | 180.0° |
| C03 | N04 | C05 | N16 | 5.8° | 0.2° |
| N04 | C03 | C02 | N01 | 2.0° | 0.0° |
| N04 | C03 | C02 | C22 | 176.9° | 179.9° |
| N04 | C03 | C02 | N25 | 179.3° | 180.0° |
| N04 | C03 | C22 | N16 | 0.3° | 0.3° |
| N04 | C03 | C22 | N23 | 178.0° | 180.0° |
| C14 | C07 | C08 | C09 | 178.4° | 179.5° |
| C14 | C07 | C08 | C10 | 0.6° | 0.5° |
| C07 | C14 | C13 | C11 | 0.5° | 0.5° |
| C07 | C14 | C13 | H2 | 179.5° | 179.5° |
| C07 | C14 | C15 | H3 | 88.8° | 90.1° |
| C07 | C14 | C15 | H4 | 151.2° | 150.0° |
| C07 | C14 | C15 | H5 | 31.2° | 30.0° |
| C13 | C14 | C07 | C08 | 0.1° | 0.7° |
| C14 | C13 | C11 | H2 | 180.0° | 180.0° |
| C14 | C13 | C11 | C10 | 1.9° | 0.0° |
| C14 | C13 | C11 | C12 | 179.0° | 179.9° |
| C13 | C14 | C15 | H3 | 89.0° | 89.2° |
| C13 | C14 | C15 | H4 | 30.9° | 30.7° |
| C13 | C14 | C15 | H5 | 150.9° | 150.7° |
| C07 | C08 | C09 | C10 | 177.7° | 180.0° |
| C07 | C08 | C10 | C11 | 1.8° | 0.0° |
| C07 | C08 | C10 | H1 | 178.1° | 179.7° |
| C07 | C08 | C09 | H10 | 91.3° | 90.0° |
| C07 | C08 | C09 | H11 | 148.7° | 149.9° |
| C07 | C08 | C09 | H12 | 28.7° | 30.0° |
| C21 | C20 | C19 | C18 | 141.7° | 178.0° |
| C21 | C20 | C19 | H18 | 20.0° | 58.0° |
| C21 | C20 | C19 | H19 | 96.7° | 62.0° |
| C05 | N16 | C22 | C03 | 3.8° | 0.4° |
| C05 | N16 | C22 | C17 | 176.6° | 179.6° |
| C05 | N16 | C17 | C18 | 82.7° | 90.0° |
| C05 | N16 | C22 | N23 | 178.7° | 179.9° |
| C05 | N16 | C17 | H6 | 37.1° | 30.1° |
| C05 | N16 | C17 | H7 | 157.6° | 150.0° |
| N01 | C02 | C03 | N25 | 178.8° | 180.0° |
| N01 | C02 | C03 | C22 | 178.9° | 179.9° |
| N01 | C02 | N25 | C24 | 178.5° | 180.0° |
| C02 | N01 | H20 | H21 | 120.0° | 180.0° |
| C09 | C08 | C10 | C11 | 179.8° | 180.0° |
| C09 | C08 | C10 | H1 | 0.2° | 0.2° |
| C08 | C09 | H10 | H11 | 120.0° | 120.1° |
| C08 | C09 | H10 | H12 | 120.0° | 119.9° |
| C08 | C09 | H11 | H12 | 120.0° | 119.9° |
| C08 | C10 | C11 | C13 | 2.5° | 0.2° |
| C08 | C10 | C11 | H1 | 180.0° | 179.8° |
| C08 | C10 | C11 | C12 | 178.3° | 179.7° |
| C10 | C08 | C09 | H10 | 90.9° | 90.1° |
| C10 | C08 | C09 | H11 | 29.1° | 30.1° |
| C10 | C08 | C09 | H12 | 149.1° | 150.0° |
| C13 | C11 | C10 | C12 | 179.1° | 180.0° |
| C13 | C11 | C10 | H1 | 177.5° | 180.0° |
| C13 | C11 | C12 | H13 | 89.5° | 90.0° |
| C13 | C11 | C12 | H14 | 150.4° | 30.0° |
| C13 | C11 | C12 | H15 | 30.4° | 150.0° |
| C20 | C19 | C18 | H18 | 121.6° | 120.0° |
| C20 | C19 | C18 | H19 | 121.6° | 120.0° |
| C20 | C19 | C18 | C17 | 72.4° | 180.0° |
| C19 | C20 | C21 | H8 | 165.1° | 156.8° |
| C20 | C19 | C18 | H16 | 166.5° | 60.0° |
| C20 | C19 | C18 | H17 | 48.7° | 60.0° |
| C20 | C19 | H18 | H19 | 114.7° | 120.0° |
| C02 | C03 | C22 | N16 | 177.3° | 179.8° |
| C02 | C03 | C22 | N23 | 0.4° | 0.0° |
| C03 | C02 | N25 | C24 | 2.8° | 0.0° |
| C03 | C02 | N01 | H20 | 178.7° | 180.0° |
| C03 | C02 | N01 | H21 | 58.7° | 0.0° |
| C22 | C03 | C02 | N25 | 2.4° | 0.0° |
| C03 | C22 | N16 | N23 | 177.5° | 179.7° |
| C03 | C22 | N16 | C17 | 179.6° | 180.0° |
| C03 | C22 | N23 | C24 | 1.4° | 0.0° |
| C10 | C11 | C13 | H2 | 178.1° | 180.0° |
| C10 | C11 | C12 | H13 | 89.6° | 90.0° |
| C10 | C11 | C12 | H14 | 30.4° | 150.0° |
| C10 | C11 | C12 | H15 | 150.4° | 30.0° |
| C12 | C11 | C10 | H1 | 1.7° | 0.1° |
| C12 | C11 | C13 | H2 | 1.0° | 0.1° |
| C11 | C12 | H13 | H14 | 120.0° | 120.0° |
| C11 | C12 | H13 | H15 | 120.0° | 120.0° |
| C11 | C12 | H14 | H15 | 120.0° | 120.0° |
| C02 | N25 | C24 | N23 | 1.0° | 0.0° |
| C02 | N25 | C24 | H9 | 179.0° | 180.0° |
| N25 | C02 | N01 | H20 | 0.0° | 0.0° |
| N25 | C02 | N01 | H21 | 120.0° | 180.0° |
| C22 | N16 | C17 | C18 | 101.4° | 89.5° |
| N16 | C22 | N23 | C24 | 178.5° | 179.7° |
| C22 | N16 | C17 | H6 | 138.8° | 150.4° |
| C22 | N16 | C17 | H7 | 18.3° | 30.5° |
| N16 | C17 | C18 | C19 | 60.9° | 180.0° |
| N16 | C17 | C18 | H6 | 119.7° | 120.0° |
| N16 | C17 | C18 | H7 | 119.7° | 120.0° |
| C17 | N16 | C22 | N23 | 2.1° | 0.4° |
| N16 | C17 | H6 | H7 | 120.8° | 120.0° |
| N16 | C17 | C18 | H16 | 178.0° | 60.0° |
| N16 | C17 | C18 | H17 | 60.2° | 60.0° |
| C19 | C18 | C17 | H16 | 121.1° | 120.0° |
| C19 | C18 | C17 | H17 | 121.1° | 120.0° |
| C19 | C18 | C17 | H6 | 179.4° | 60.0° |
| C19 | C18 | C17 | H7 | 58.8° | 60.0° |
| C19 | C18 | H16 | H17 | 116.5° | 120.0° |
| C18 | C19 | H18 | H19 | 114.7° | 120.0° |
| C18 | C17 | H6 | H7 | 120.8° | 120.0° |
| C17 | C18 | H16 | H17 | 116.5° | 120.0° |
| C17 | C18 | C19 | H18 | 49.2° | 60.0° |
| C17 | C18 | C19 | H19 | 166.0° | 60.0° |
| C22 | N23 | C24 | N25 | 1.1° | 0.0° |
| C22 | N23 | C24 | H9 | 178.9° | 180.0° |
| N25 | C24 | N23 | H9 | 180.0° | 180.0° |
| H3 | C15 | H4 | H5 | 120.0° | 120.1° |
| H6 | C17 | C18 | H16 | 58.2° | 60.0° |
| H6 | C17 | C18 | H17 | 59.5° | 180.0° |
| H7 | C17 | C18 | H16 | 62.3° | 180.0° |
| H7 | C17 | C18 | H17 | 179.9° | 60.0° |
| H10 | C09 | H11 | H12 | 120.0° | 120.0° |
| H13 | C12 | H14 | H15 | 120.0° | 120.0° |
| H16 | C18 | C19 | H18 | 71.9° | 60.0° |
| H16 | C18 | C19 | H19 | 44.9° | 180.0° |
| H17 | C18 | C19 | H18 | 170.4° | 180.0° |
| H17 | C18 | C19 | H19 | 72.9° | 60.0° |
