UVZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | N06 | sing | 1.47Å | 1.44Å | |
| O08 | S07 | doub | 1.42Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| N06 | S07 | sing | 1.66Å | 1.69Å | |
| N06 | C05 | sing | 1.40Å | 1.46Å | |
| S07 | O17 | doub | 1.42Å | 1.47Å | |
| S07 | C09 | sing | 1.76Å | 1.79Å | |
| C05 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
| C05 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.56Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.41Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | CL1 | sing | 1.74Å | 1.76Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C15 | sing | 1.47Å | 1.52Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | O1 | doub | 1.21Å | 1.42Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | N06 | 117.2° | 107.8° |
| C18 | C19 | C20 | 115.1° | 108.9° |
| C19 | C18 | H10 | 107.5° | 109.8° |
| C19 | C18 | H11 | 107.5° | 109.8° |
| C18 | C19 | H12 | 108.1° | 109.6° |
| C18 | C19 | H13 | 108.1° | 109.6° |
| C18 | N06 | S07 | 116.9° | 120.6° |
| C18 | N06 | C05 | 119.5° | 118.9° |
| N06 | C18 | H10 | 107.5° | 109.8° |
| N06 | C18 | H11 | 107.5° | 109.7° |
| O08 | S07 | N06 | 106.9° | 106.4° |
| O08 | S07 | O17 | 111.3° | 123.1° |
| O08 | S07 | C09 | 110.7° | 106.4° |
| C19 | C20 | C21 | 110.4° | 110.5° |
| C20 | C19 | H12 | 108.1° | 109.6° |
| C20 | C19 | H13 | 108.0° | 109.6° |
| C19 | C20 | H14 | 109.3° | 109.3° |
| C19 | C20 | H15 | 109.2° | 109.2° |
| S07 | N06 | C05 | 116.7° | 120.5° |
| N06 | S07 | O17 | 111.1° | 106.4° |
| N06 | S07 | C09 | 106.7° | 107.2° |
| N06 | C05 | C04 | 120.7° | 119.1° |
| N06 | C05 | C21 | 117.5° | 120.9° |
| O17 | S07 | C09 | 110.0° | 106.4° |
| S07 | C09 | C10 | 117.3° | 119.8° |
| S07 | C09 | C14 | 120.1° | 119.8° |
| C04 | C05 | C21 | 121.9° | 120.0° |
| C05 | C04 | C03 | 117.8° | 120.0° |
| C05 | C04 | H2 | 121.1° | 120.0° |
| C05 | C21 | C20 | 119.5° | 121.5° |
| C05 | C21 | C22 | 120.5° | 119.6° |
| C04 | C03 | C02 | 119.9° | 119.9° |
| C04 | C03 | H1 | 120.0° | 120.1° |
| C03 | C04 | H2 | 121.1° | 120.0° |
| C20 | C21 | C22 | 119.9° | 118.9° |
| C21 | C20 | H14 | 109.3° | 109.3° |
| C21 | C20 | H15 | 109.3° | 109.3° |
| C21 | C22 | C02 | 118.0° | 120.3° |
| C21 | C22 | H16 | 121.0° | 119.8° |
| C03 | C02 | C22 | 121.8° | 120.1° |
| C03 | C02 | CL1 | 119.4° | 119.9° |
| C02 | C03 | H1 | 120.1° | 120.0° |
| C10 | C09 | C14 | 122.6° | 120.4° |
| C09 | C10 | C11 | 118.8° | 120.2° |
| C09 | C10 | H3 | 120.6° | 119.9° |
| C09 | C14 | C13 | 118.5° | 120.1° |
| C09 | C14 | H6 | 120.7° | 119.9° |
| C10 | C11 | C12 | 119.4° | 119.8° |
| C11 | C10 | H3 | 120.6° | 119.9° |
| C10 | C11 | H4 | 120.3° | 120.1° |
| C22 | C02 | CL1 | 118.8° | 119.9° |
| C02 | C22 | H16 | 121.0° | 119.9° |
| C14 | C13 | C12 | 118.6° | 119.8° |
| C14 | C13 | H5 | 120.7° | 120.1° |
| C13 | C14 | H6 | 120.7° | 119.9° |
| C11 | C12 | C13 | 122.0° | 119.7° |
| C11 | C12 | C15 | 114.3° | 120.2° |
| C12 | C11 | H4 | 120.3° | 120.1° |
| C13 | C12 | C15 | 123.7° | 120.2° |
| C12 | C13 | H5 | 120.7° | 120.1° |
| C12 | C15 | H7 | 120.6° | 120.0° |
| C12 | C15 | O1 | 118.8° | 120.0° |
| H7 | C15 | O1 | 120.6° | 120.0° |
| H10 | C18 | H11 | 109.5° | 109.9° |
| H12 | C19 | H13 | 109.5° | 109.7° |
| H14 | C20 | H15 | 109.4° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | N06 | H10 | 121.1° | 119.6° |
| C19 | C18 | N06 | H11 | 121.1° | 119.6° |
| C18 | C19 | C20 | H12 | 120.8° | 119.8° |
| C18 | C19 | C20 | H13 | 120.8° | 119.8° |
| C19 | C18 | N06 | S07 | 126.4° | 135.3° |
| C19 | C18 | N06 | C05 | 23.6° | 44.7° |
| C18 | C19 | C20 | C21 | 43.9° | 51.4° |
| C19 | C18 | H10 | H11 | 116.5° | 120.9° |
| C18 | C19 | H12 | H13 | 117.5° | 120.3° |
| C18 | C19 | C20 | H14 | 164.1° | 171.7° |
| C18 | C19 | C20 | H15 | 76.2° | 69.0° |
| C18 | N06 | S07 | O08 | 29.6° | 151.2° |
| N06 | C18 | C19 | C20 | 16.4° | 63.2° |
| C18 | N06 | S07 | C05 | 150.9° | 179.9° |
| C18 | N06 | S07 | O17 | 151.2° | 18.3° |
| C18 | N06 | S07 | C09 | 88.9° | 95.2° |
| C18 | N06 | C05 | C04 | 146.6° | 166.7° |
| C18 | N06 | C05 | C21 | 33.2° | 13.5° |
| N06 | C18 | H10 | H11 | 116.5° | 120.8° |
| N06 | C18 | C19 | H12 | 104.4° | 56.6° |
| N06 | C18 | C19 | H13 | 137.2° | 176.9° |
| O08 | S07 | N06 | O17 | 121.6° | 132.9° |
| O08 | S07 | N06 | C09 | 118.5° | 113.6° |
| O08 | S07 | N06 | C05 | 179.5° | 28.7° |
| O08 | S07 | O17 | C09 | 123.0° | 122.9° |
| O08 | S07 | C09 | C10 | 34.7° | 156.4° |
| O08 | S07 | C09 | C14 | 145.2° | 23.3° |
| C19 | C20 | C21 | C05 | 36.1° | 20.7° |
| C19 | C20 | C21 | H14 | 120.2° | 120.4° |
| C19 | C20 | C21 | H15 | 120.1° | 120.3° |
| C19 | C20 | C21 | C22 | 142.2° | 159.7° |
| C20 | C19 | C18 | H10 | 104.7° | 56.4° |
| C20 | C19 | C18 | H11 | 137.5° | 177.3° |
| C20 | C19 | H12 | H13 | 117.4° | 120.3° |
| C19 | C20 | H14 | H15 | 119.6° | 119.4° |
| N06 | S07 | O17 | C09 | 117.9° | 114.1° |
| S07 | N06 | C05 | C04 | 63.2° | 13.3° |
| S07 | N06 | C05 | C21 | 117.0° | 166.4° |
| N06 | S07 | C09 | C10 | 81.3° | 90.0° |
| N06 | S07 | C09 | C14 | 98.8° | 90.3° |
| S07 | N06 | C18 | H10 | 5.4° | 105.1° |
| S07 | N06 | C18 | H11 | 112.5° | 15.7° |
| C05 | N06 | S07 | O17 | 57.9° | 161.6° |
| C05 | N06 | S07 | C09 | 62.0° | 84.9° |
| N06 | C05 | C04 | C21 | 179.8° | 179.8° |
| N06 | C05 | C04 | C03 | 179.0° | 179.6° |
| N06 | C05 | C21 | C20 | 1.3° | 0.5° |
| N06 | C05 | C21 | C22 | 179.6° | 179.9° |
| N06 | C05 | C04 | H2 | 1.0° | 0.3° |
| C05 | N06 | C18 | H10 | 144.7° | 74.9° |
| C05 | N06 | C18 | H11 | 97.5° | 164.2° |
| O17 | S07 | C09 | C10 | 158.0° | 23.5° |
| O17 | S07 | C09 | C14 | 21.8° | 156.2° |
| S07 | C09 | C10 | C14 | 179.9° | 179.7° |
| S07 | C09 | C10 | C11 | 179.1° | 179.8° |
| S07 | C09 | C14 | C13 | 179.9° | 179.7° |
| S07 | C09 | C10 | H3 | 0.9° | 0.3° |
| S07 | C09 | C14 | H6 | 0.1° | 0.3° |
| C05 | C04 | C03 | H2 | 180.0° | 180.0° |
| C04 | C05 | C21 | C20 | 178.5° | 179.7° |
| C04 | C05 | C21 | C22 | 0.2° | 0.1° |
| C05 | C04 | C03 | C02 | 2.1° | 0.0° |
| C05 | C04 | C03 | H1 | 177.9° | 180.0° |
| C21 | C05 | C04 | C03 | 1.2° | 0.1° |
| C05 | C21 | C20 | C22 | 178.3° | 179.6° |
| C05 | C21 | C22 | C02 | 0.6° | 0.4° |
| C21 | C05 | C04 | H2 | 178.8° | 179.9° |
| C05 | C21 | C20 | H14 | 156.3° | 141.0° |
| C05 | C21 | C20 | H15 | 84.0° | 99.6° |
| C05 | C21 | C22 | H16 | 179.3° | 179.9° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C04 | C03 | C02 | C22 | 1.7° | 0.3° |
| C04 | C03 | C02 | CL1 | 179.6° | 179.9° |
| C20 | C21 | C22 | C02 | 178.9° | 179.9° |
| C21 | C20 | C19 | H12 | 76.9° | 68.4° |
| C21 | C20 | C19 | H13 | 164.7° | 171.2° |
| C21 | C20 | H14 | H15 | 119.6° | 119.5° |
| C20 | C21 | C22 | H16 | 1.0° | 0.4° |
| C21 | C22 | C02 | C03 | 0.3° | 0.5° |
| C21 | C22 | C02 | H16 | 180.0° | 179.5° |
| C21 | C22 | C02 | CL1 | 179.0° | 179.7° |
| C22 | C21 | C20 | H14 | 22.0° | 39.3° |
| C22 | C21 | C20 | H15 | 97.7° | 80.1° |
| C03 | C02 | C22 | CL1 | 178.7° | 179.8° |
| C02 | C03 | C04 | H2 | 177.9° | 180.0° |
| C03 | C02 | C22 | H16 | 179.7° | 180.0° |
| C09 | C10 | C11 | H3 | 180.0° | 180.0° |
| C10 | C09 | C14 | C13 | 0.2° | 0.0° |
| C09 | C10 | C11 | C12 | 1.1° | 0.0° |
| C09 | C10 | C11 | H4 | 178.9° | 180.0° |
| C10 | C09 | C14 | H6 | 179.8° | 180.0° |
| C14 | C09 | C10 | C11 | 1.0° | 0.1° |
| C09 | C14 | C13 | H6 | 180.0° | 180.0° |
| C09 | C14 | C13 | C12 | 0.5° | 0.0° |
| C14 | C09 | C10 | H3 | 178.9° | 180.0° |
| C09 | C14 | C13 | H5 | 179.5° | 180.0° |
| C10 | C11 | C12 | H4 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.0° |
| C10 | C11 | C12 | C15 | 180.0° | 180.0° |
| C22 | C02 | C03 | H1 | 178.3° | 179.7° |
| CL1 | C02 | C03 | H1 | 0.3° | 0.1° |
| CL1 | C02 | C22 | H16 | 1.1° | 0.2° |
| C14 | C13 | C12 | C11 | 0.5° | 0.0° |
| C14 | C13 | C12 | H5 | 180.0° | 179.9° |
| C14 | C13 | C12 | C15 | 179.2° | 179.9° |
| C11 | C12 | C13 | C15 | 179.7° | 180.0° |
| C12 | C11 | C10 | H3 | 178.9° | 180.0° |
| C11 | C12 | C13 | H5 | 179.6° | 180.0° |
| C11 | C12 | C15 | H7 | 0.9° | 180.0° |
| C11 | C12 | C15 | O1 | 179.1° | 0.0° |
| C13 | C12 | C11 | H4 | 179.7° | 180.0° |
| C12 | C13 | C14 | H6 | 179.5° | 180.0° |
| C13 | C12 | C15 | H7 | 178.8° | 0.0° |
| C13 | C12 | C15 | O1 | 1.2° | 180.0° |
| C15 | C12 | C11 | H4 | 0.1° | 0.0° |
| C15 | C12 | C13 | H5 | 0.8° | 0.0° |
| C12 | C15 | H7 | O1 | 180.0° | 180.0° |
| H1 | C03 | C04 | H2 | 2.1° | 0.0° |
| H3 | C10 | C11 | H4 | 1.1° | 0.0° |
| H5 | C13 | C14 | H6 | 0.5° | 0.1° |
| H10 | C18 | C19 | H12 | 134.5° | 176.2° |
| H10 | C18 | C19 | H13 | 16.1° | 63.5° |
| H11 | C18 | C19 | H12 | 16.7° | 62.9° |
| H11 | C18 | C19 | H13 | 101.7° | 57.4° |
| H12 | C19 | C20 | H14 | 43.3° | 51.9° |
| H12 | C19 | C20 | H15 | 163.0° | 171.2° |
| H13 | C19 | C20 | H14 | 75.1° | 68.4° |
| H13 | C19 | C20 | H15 | 44.6° | 50.8° |
