ZUS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | sing | 1.41Å | 1.46Å | |
| C24 | C23 | doub | 1.36Å | 1.41Å | |
| O27 | C25 | doub | 1.22Å | 1.24Å | |
| C25 | O26 | sing | 1.34Å | 1.41Å | |
| C23 | C21 | sing | 1.46Å | 1.51Å | |
| O26 | C22 | sing | 1.35Å | 1.42Å | |
| C21 | C22 | doub | 1.41Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.46Å | Aromatic |
| C22 | C18 | sing | 1.39Å | 1.49Å | Aromatic |
| C20 | C19 | doub | 1.37Å | 1.43Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C19 | C17 | sing | 1.39Å | 1.44Å | Aromatic |
| C17 | O15 | sing | 1.36Å | 1.43Å | |
| O15 | C14 | sing | 1.43Å | 1.45Å | |
| C14 | C13 | sing | 1.51Å | 1.59Å | |
| N12 | C13 | sing | 1.35Å | 1.43Å | |
| N12 | C11 | sing | 1.47Å | 1.49Å | |
| C13 | O16 | doub | 1.21Å | 1.24Å | |
| C11 | C09 | sing | 1.51Å | 1.58Å | |
| C09 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | C06 | sing | 1.38Å | 1.42Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.43Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| C07 | C05 | sing | 1.38Å | 1.42Å | Aromatic |
| C05 | S02 | sing | 1.76Å | 1.89Å | |
| N01 | S02 | sing | 1.66Å | 1.68Å | |
| O04 | S02 | doub | 1.42Å | 1.43Å | |
| S02 | O03 | doub | 1.42Å | 1.42Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 117.6° | 119.8° |
| C24 | C25 | O27 | 123.3° | 119.1° |
| C24 | C25 | O26 | 119.3° | 121.7° |
| C25 | C24 | H241 | 121.2° | 120.1° |
| C24 | C23 | C21 | 121.2° | 118.2° |
| C23 | C24 | H241 | 121.2° | 120.1° |
| C24 | C23 | H231 | 119.4° | 120.9° |
| O27 | C25 | O26 | 117.4° | 119.2° |
| C25 | O26 | C22 | 122.7° | 121.5° |
| C23 | C21 | C22 | 118.6° | 119.0° |
| C23 | C21 | C20 | 122.9° | 121.0° |
| C21 | C23 | H231 | 119.4° | 120.9° |
| O26 | C22 | C21 | 119.0° | 119.8° |
| O26 | C22 | C18 | 122.3° | 120.7° |
| C22 | C21 | C20 | 118.5° | 120.0° |
| C21 | C22 | C18 | 118.7° | 119.4° |
| C21 | C20 | C19 | 123.0° | 119.8° |
| C21 | C20 | H201 | 118.5° | 120.1° |
| C22 | C18 | C17 | 122.3° | 119.8° |
| C22 | C18 | H181 | 118.9° | 120.1° |
| C20 | C19 | C17 | 118.9° | 120.4° |
| C19 | C20 | H201 | 118.5° | 120.1° |
| C20 | C19 | H191 | 120.5° | 119.8° |
| C18 | C17 | C19 | 118.6° | 120.5° |
| C18 | C17 | O15 | 122.2° | 119.7° |
| C17 | C18 | H181 | 118.9° | 120.1° |
| C19 | C17 | O15 | 119.2° | 119.7° |
| C17 | C19 | H191 | 120.6° | 119.8° |
| C17 | O15 | C14 | 120.1° | 117.0° |
| O15 | C14 | C13 | 115.7° | 109.5° |
| O15 | C14 | H142 | 107.9° | 109.5° |
| O15 | C14 | H141 | 107.9° | 109.4° |
| C14 | C13 | N12 | 123.5° | 120.0° |
| C14 | C13 | O16 | 117.7° | 120.0° |
| C13 | C14 | H142 | 107.9° | 109.5° |
| C13 | C14 | H141 | 107.9° | 109.5° |
| C13 | N12 | C11 | 125.5° | 120.0° |
| N12 | C13 | O16 | 118.8° | 120.0° |
| C13 | N12 | H121 | 117.3° | 120.0° |
| N12 | C11 | C09 | 114.4° | 109.5° |
| C11 | N12 | H121 | 117.2° | 120.0° |
| N12 | C11 | H112 | 108.3° | 109.5° |
| N12 | C11 | H111 | 108.2° | 109.5° |
| C11 | C09 | C10 | 120.8° | 120.1° |
| C11 | C09 | C08 | 122.2° | 120.0° |
| C09 | C11 | H112 | 108.2° | 109.4° |
| C09 | C11 | H111 | 108.2° | 109.5° |
| C10 | C09 | C08 | 117.0° | 119.9° |
| C09 | C10 | C06 | 121.1° | 120.0° |
| C09 | C10 | H101 | 119.4° | 119.9° |
| C09 | C08 | C07 | 120.9° | 120.0° |
| C09 | C08 | H081 | 119.5° | 120.0° |
| C10 | C06 | C05 | 123.3° | 120.0° |
| C06 | C10 | H101 | 119.5° | 120.1° |
| C10 | C06 | H061 | 118.4° | 120.0° |
| C08 | C07 | C05 | 122.9° | 120.0° |
| C08 | C07 | H071 | 118.5° | 120.0° |
| C07 | C08 | H081 | 119.5° | 120.0° |
| C06 | C05 | C07 | 114.7° | 120.0° |
| C06 | C05 | S02 | 122.4° | 120.0° |
| C05 | C06 | H061 | 118.4° | 120.0° |
| C07 | C05 | S02 | 122.9° | 120.0° |
| C05 | C07 | H071 | 118.5° | 120.0° |
| C05 | S02 | N01 | 107.6° | 107.2° |
| C05 | S02 | O04 | 109.1° | 106.4° |
| C05 | S02 | O03 | 109.6° | 106.4° |
| N01 | S02 | O04 | 109.9° | 106.4° |
| N01 | S02 | O03 | 110.1° | 106.4° |
| S02 | N01 | H012 | 109.5° | 120.1° |
| S02 | N01 | H011 | 109.5° | 120.0° |
| O04 | S02 | O03 | 110.5° | 123.2° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.4° |
| H012 | N01 | H011 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H241 | 180.0° | 179.4° |
| C24 | C25 | O27 | O26 | 179.9° | 179.4° |
| C25 | C24 | C23 | C21 | 1.8° | 0.4° |
| C24 | C25 | O26 | C22 | 15.9° | 0.4° |
| C25 | C24 | C23 | H231 | 178.2° | 179.6° |
| C23 | C24 | C25 | O27 | 168.6° | 180.0° |
| C23 | C24 | C25 | O26 | 11.3° | 0.6° |
| C24 | C23 | C21 | H231 | 180.0° | 180.0° |
| C24 | C23 | C21 | C22 | 3.8° | 0.0° |
| C24 | C23 | C21 | C20 | 176.1° | 179.8° |
| O27 | C25 | O26 | C22 | 164.0° | 179.8° |
| O27 | C25 | C24 | H241 | 11.4° | 0.6° |
| C25 | O26 | C22 | C21 | 10.0° | 0.0° |
| C25 | O26 | C22 | C18 | 170.0° | 179.8° |
| O26 | C25 | C24 | H241 | 168.7° | 180.0° |
| C23 | C21 | C22 | O26 | 0.0° | 0.2° |
| C23 | C21 | C22 | C20 | 180.0° | 179.7° |
| C23 | C21 | C22 | C18 | 180.0° | 180.0° |
| C23 | C21 | C20 | C19 | 180.0° | 180.0° |
| C23 | C21 | C20 | H201 | 0.1° | 0.0° |
| C21 | C23 | C24 | H241 | 178.2° | 179.8° |
| O26 | C22 | C21 | C18 | 180.0° | 179.8° |
| O26 | C22 | C21 | C20 | 180.0° | 180.0° |
| O26 | C22 | C18 | C17 | 180.0° | 179.8° |
| O26 | C22 | C18 | H181 | 0.0° | 0.2° |
| C22 | C21 | C20 | C19 | 0.1° | 0.3° |
| C21 | C22 | C18 | C17 | 0.1° | 0.0° |
| C22 | C21 | C20 | H201 | 179.9° | 179.7° |
| C21 | C22 | C18 | H181 | 179.9° | 180.0° |
| C22 | C21 | C23 | H231 | 176.1° | 180.0° |
| C20 | C21 | C22 | C18 | 0.0° | 0.3° |
| C21 | C20 | C19 | H201 | 180.0° | 180.0° |
| C21 | C20 | C19 | C17 | 0.1° | 0.0° |
| C21 | C20 | C19 | H191 | 179.9° | 180.0° |
| C20 | C21 | C23 | H231 | 3.9° | 0.3° |
| C22 | C18 | C17 | H181 | 180.0° | 180.0° |
| C22 | C18 | C17 | C19 | 0.1° | 0.2° |
| C22 | C18 | C17 | O15 | 180.0° | 180.0° |
| C20 | C19 | C17 | C18 | 0.1° | 0.2° |
| C20 | C19 | C17 | H191 | 180.0° | 179.9° |
| C20 | C19 | C17 | O15 | 180.0° | 180.0° |
| C18 | C17 | C19 | O15 | 179.9° | 179.8° |
| C18 | C17 | O15 | C14 | 159.0° | 180.0° |
| C18 | C17 | C19 | H191 | 179.9° | 179.7° |
| C19 | C17 | O15 | C14 | 20.9° | 0.2° |
| C17 | C19 | C20 | H201 | 179.9° | 179.9° |
| C19 | C17 | C18 | H181 | 179.9° | 179.8° |
| C17 | O15 | C14 | C13 | 179.6° | 180.0° |
| C17 | O15 | C14 | H142 | 59.5° | 59.9° |
| C17 | O15 | C14 | H141 | 58.7° | 60.0° |
| O15 | C17 | C18 | H181 | 0.0° | 0.0° |
| O15 | C17 | C19 | H191 | 0.0° | 0.1° |
| O15 | C14 | C13 | H142 | 120.9° | 120.0° |
| O15 | C14 | C13 | H141 | 120.9° | 120.0° |
| O15 | C14 | C13 | N12 | 146.0° | 180.0° |
| O15 | C14 | C13 | O16 | 34.0° | 0.0° |
| O15 | C14 | H142 | H141 | 117.2° | 119.9° |
| C14 | C13 | N12 | O16 | 180.0° | 180.0° |
| C14 | C13 | N12 | C11 | 179.9° | 180.0° |
| C14 | C13 | N12 | H121 | 0.1° | 0.0° |
| C13 | C14 | H142 | H141 | 117.2° | 120.0° |
| C13 | N12 | C11 | H121 | 180.0° | 180.0° |
| C13 | N12 | C11 | C09 | 115.1° | 180.0° |
| C13 | N12 | C11 | H112 | 5.6° | 60.0° |
| C13 | N12 | C11 | H111 | 124.1° | 60.0° |
| N12 | C13 | C14 | H142 | 25.1° | 60.0° |
| N12 | C13 | C14 | H141 | 93.1° | 60.0° |
| C11 | N12 | C13 | O16 | 0.1° | 0.0° |
| N12 | C11 | C09 | H112 | 120.7° | 120.0° |
| N12 | C11 | C09 | H111 | 120.7° | 120.0° |
| N12 | C11 | C09 | C10 | 165.8° | 90.0° |
| N12 | C11 | C09 | C08 | 14.2° | 90.0° |
| N12 | C11 | H112 | H111 | 117.8° | 120.1° |
| O16 | C13 | N12 | H121 | 179.9° | 180.0° |
| O16 | C13 | C14 | H142 | 154.9° | 120.0° |
| O16 | C13 | C14 | H141 | 86.9° | 120.0° |
| C11 | C09 | C10 | C08 | 180.0° | 180.0° |
| C11 | C09 | C10 | C06 | 180.0° | 180.0° |
| C11 | C09 | C08 | C07 | 179.9° | 179.5° |
| C11 | C09 | C10 | H101 | 0.0° | 0.3° |
| C09 | C11 | N12 | H121 | 64.9° | 0.0° |
| C11 | C09 | C08 | H081 | 0.0° | 0.3° |
| C09 | C11 | H112 | H111 | 117.8° | 120.0° |
| C09 | C10 | C06 | H101 | 180.0° | 179.7° |
| C10 | C09 | C08 | C07 | 0.0° | 0.5° |
| C09 | C10 | C06 | C05 | 0.0° | 0.3° |
| C09 | C10 | C06 | H061 | 180.0° | 179.8° |
| C10 | C09 | C08 | H081 | 180.0° | 179.7° |
| C10 | C09 | C11 | H112 | 73.5° | 30.0° |
| C10 | C09 | C11 | H111 | 45.0° | 150.0° |
| C08 | C09 | C10 | C06 | 0.0° | 0.0° |
| C09 | C08 | C07 | H081 | 180.0° | 179.2° |
| C09 | C08 | C07 | C05 | 0.0° | 0.8° |
| C08 | C09 | C10 | H101 | 180.0° | 179.7° |
| C09 | C08 | C07 | H071 | 180.0° | 179.7° |
| C08 | C09 | C11 | H112 | 106.5° | 150.0° |
| C08 | C09 | C11 | H111 | 134.9° | 30.0° |
| C10 | C06 | C05 | H061 | 180.0° | 180.0° |
| C10 | C06 | C05 | C07 | 0.1° | 0.0° |
| C10 | C06 | C05 | S02 | 179.9° | 180.0° |
| C08 | C07 | C05 | C06 | 0.1° | 0.5° |
| C08 | C07 | C05 | H071 | 180.0° | 179.5° |
| C08 | C07 | C05 | S02 | 179.9° | 179.5° |
| C06 | C05 | C07 | S02 | 179.8° | 180.0° |
| C06 | C05 | S02 | N01 | 133.3° | 90.0° |
| C06 | C05 | S02 | O04 | 14.1° | 23.5° |
| C06 | C05 | S02 | O03 | 107.0° | 156.5° |
| C05 | C06 | C10 | H101 | 179.9° | 180.0° |
| C06 | C05 | C07 | H071 | 180.0° | 180.0° |
| C07 | C05 | S02 | N01 | 46.8° | 90.0° |
| C07 | C05 | S02 | O04 | 166.1° | 156.5° |
| C07 | C05 | S02 | O03 | 72.8° | 23.5° |
| C07 | C05 | C06 | H061 | 179.9° | 180.0° |
| C05 | C07 | C08 | H081 | 180.0° | 180.0° |
| C05 | S02 | N01 | O04 | 118.7° | 113.6° |
| C05 | S02 | N01 | O03 | 119.3° | 113.5° |
| C05 | S02 | O04 | O03 | 120.5° | 123.0° |
| S02 | C05 | C06 | H061 | 0.1° | 0.0° |
| S02 | C05 | C07 | H071 | 0.1° | 0.0° |
| C05 | S02 | N01 | H012 | 180.0° | 150.0° |
| C05 | S02 | N01 | H011 | 60.0° | 30.0° |
| N01 | S02 | O04 | O03 | 121.7° | 122.9° |
| S02 | N01 | H012 | H011 | 120.0° | 179.9° |
| O04 | S02 | N01 | H012 | 61.3° | 96.5° |
| O04 | S02 | N01 | H011 | 58.7° | 83.6° |
| O03 | S02 | N01 | H012 | 60.7° | 36.4° |
| O03 | S02 | N01 | H011 | 179.3° | 143.5° |
| H101 | C10 | C06 | H061 | 0.1° | 0.1° |
| H121 | N12 | C11 | H112 | 174.4° | 120.0° |
| H121 | N12 | C11 | H111 | 55.9° | 120.0° |
| H201 | C20 | C19 | H191 | 0.2° | 0.0° |
| H241 | C24 | C23 | H231 | 1.8° | 0.2° |
| H071 | C07 | C08 | H081 | 0.0° | 0.5° |
