9Z8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.23Å | |
| C02 | C03 | sing | 1.51Å | 1.49Å | |
| C02 | N05 | sing | 1.35Å | 1.43Å | |
| C03 | S04 | sing | 1.81Å | 1.77Å | |
| N05 | C06 | sing | 1.46Å | 1.43Å | |
| C06 | C07 | sing | 1.53Å | 1.49Å | |
| C07 | C08 | sing | 1.53Å | 1.49Å | |
| C08 | C09 | sing | 1.53Å | 1.49Å | |
| C09 | C10 | sing | 1.53Å | 1.49Å | |
| C10 | C11 | sing | 1.51Å | 1.49Å | |
| C11 | O12 | doub | 1.21Å | 1.23Å | |
| C11 | N13 | sing | 1.35Å | 1.44Å | |
| N13 | C14 | sing | 1.40Å | 1.44Å | |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| N05 | H05 | sing | 0.97Å | 1.00Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| S04 | H32 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 120.2° | 120.0° |
| O01 | C02 | N05 | 121.1° | 120.0° |
| C03 | C02 | N05 | 118.7° | 120.0° |
| C02 | C03 | S04 | 121.7° | 109.5° |
| C02 | C03 | H031 | 106.3° | 109.5° |
| C02 | C03 | H032 | 106.3° | 109.5° |
| C02 | N05 | C06 | 123.0° | 120.0° |
| C02 | N05 | H05 | 118.5° | 120.0° |
| S04 | C03 | H031 | 106.3° | 109.5° |
| S04 | C03 | H032 | 106.4° | 109.4° |
| C03 | S04 | H32 | 102.0° | 103.0° |
| N05 | C06 | C07 | 117.8° | 109.5° |
| C06 | N05 | H05 | 118.5° | 120.0° |
| N05 | C06 | H061 | 107.4° | 109.4° |
| N05 | C06 | H062 | 107.4° | 109.5° |
| C06 | C07 | C08 | 120.7° | 109.5° |
| C07 | C06 | H061 | 107.4° | 109.4° |
| C07 | C06 | H062 | 107.4° | 109.5° |
| C06 | C07 | H071 | 106.6° | 109.5° |
| C06 | C07 | H072 | 106.6° | 109.6° |
| C07 | C08 | C09 | 115.2° | 109.5° |
| C08 | C07 | H071 | 106.6° | 109.5° |
| C08 | C07 | H072 | 106.6° | 109.4° |
| C07 | C08 | H081 | 108.0° | 109.5° |
| C07 | C08 | H082 | 108.0° | 109.5° |
| C08 | C09 | C10 | 118.5° | 109.5° |
| C09 | C08 | H081 | 108.0° | 109.5° |
| C09 | C08 | H082 | 108.0° | 109.5° |
| C08 | C09 | H091 | 107.2° | 109.4° |
| C08 | C09 | H092 | 107.2° | 109.5° |
| C09 | C10 | C11 | 119.6° | 109.5° |
| C10 | C09 | H091 | 107.2° | 109.5° |
| C10 | C09 | H092 | 107.2° | 109.5° |
| C09 | C10 | H101 | 106.9° | 109.4° |
| C09 | C10 | H102 | 106.9° | 109.5° |
| C10 | C11 | O12 | 117.9° | 120.0° |
| C10 | C11 | N13 | 119.6° | 120.0° |
| C11 | C10 | H101 | 106.9° | 109.5° |
| C11 | C10 | H102 | 106.9° | 109.5° |
| O12 | C11 | N13 | 122.6° | 120.0° |
| C11 | N13 | C14 | 125.4° | 120.0° |
| C11 | N13 | H13 | 117.3° | 120.1° |
| N13 | C14 | C15 | 119.0° | 120.0° |
| N13 | C14 | C19 | 121.8° | 120.1° |
| C14 | N13 | H13 | 117.3° | 119.9° |
| C15 | C14 | C19 | 119.1° | 119.9° |
| C14 | C15 | C16 | 120.2° | 119.9° |
| C14 | C15 | H15 | 119.9° | 120.0° |
| C14 | C19 | C18 | 120.5° | 119.9° |
| C14 | C19 | H19 | 119.7° | 120.0° |
| C15 | C16 | C17 | 120.4° | 120.1° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C15 | C16 | H16 | 119.8° | 120.0° |
| C16 | C17 | C18 | 119.9° | 120.1° |
| C17 | C16 | H16 | 119.8° | 120.0° |
| C16 | C17 | H17 | 120.1° | 119.9° |
| C17 | C18 | C19 | 119.8° | 120.1° |
| C18 | C17 | H17 | 120.0° | 119.9° |
| C17 | C18 | H18 | 120.1° | 119.9° |
| C18 | C19 | H19 | 119.7° | 120.0° |
| C19 | C18 | H18 | 120.1° | 120.0° |
| H031 | C03 | H032 | 109.5° | 109.4° |
| H061 | C06 | H062 | 109.4° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.4° |
| H081 | C08 | H082 | 109.5° | 109.4° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | N05 | 177.4° | 179.7° |
| O01 | C02 | C03 | S04 | 63.0° | 0.0° |
| O01 | C02 | N05 | C06 | 1.3° | 0.1° |
| O01 | C02 | C03 | H031 | 175.3° | 120.0° |
| O01 | C02 | C03 | H032 | 58.7° | 120.0° |
| O01 | C02 | N05 | H05 | 178.7° | 180.0° |
| C02 | C03 | S04 | H031 | 121.7° | 120.1° |
| C02 | C03 | S04 | H032 | 121.7° | 120.0° |
| C03 | C02 | N05 | C06 | 178.7° | 179.8° |
| C02 | C03 | H031 | H032 | 114.5° | 120.0° |
| C03 | C02 | N05 | H05 | 1.4° | 0.3° |
| C02 | C03 | S04 | H32 | 180.0° | 180.0° |
| N05 | C02 | C03 | S04 | 119.7° | 179.7° |
| C02 | N05 | C06 | H05 | 180.0° | 179.9° |
| C02 | N05 | C06 | C07 | 87.1° | 180.0° |
| N05 | C02 | C03 | H031 | 2.0° | 59.7° |
| N05 | C02 | C03 | H032 | 118.6° | 60.3° |
| C02 | N05 | C06 | H061 | 151.7° | 60.1° |
| C02 | N05 | C06 | H062 | 34.1° | 60.0° |
| S04 | C03 | H031 | H032 | 114.5° | 119.9° |
| N05 | C06 | C07 | H061 | 121.2° | 119.9° |
| N05 | C06 | C07 | H062 | 121.2° | 120.1° |
| N05 | C06 | C07 | C08 | 100.9° | 180.0° |
| N05 | C06 | H061 | H062 | 116.2° | 120.0° |
| N05 | C06 | C07 | H071 | 137.5° | 60.0° |
| N05 | C06 | C07 | H072 | 20.7° | 60.0° |
| C06 | C07 | C08 | H071 | 121.6° | 120.0° |
| C06 | C07 | C08 | H072 | 121.6° | 120.1° |
| C06 | C07 | C08 | C09 | 131.2° | 180.0° |
| C07 | C06 | N05 | H05 | 92.9° | 0.1° |
| C07 | C06 | H061 | H062 | 116.2° | 120.0° |
| C06 | C07 | H071 | H072 | 114.9° | 120.1° |
| C06 | C07 | C08 | H081 | 107.9° | 60.0° |
| C06 | C07 | C08 | H082 | 10.4° | 59.9° |
| C07 | C08 | C09 | H081 | 120.8° | 120.0° |
| C07 | C08 | C09 | H082 | 120.8° | 120.0° |
| C07 | C08 | C09 | C10 | 168.6° | 180.0° |
| C08 | C07 | C06 | H061 | 20.3° | 60.1° |
| C08 | C07 | C06 | H062 | 137.9° | 60.0° |
| C08 | C07 | H071 | H072 | 115.0° | 119.9° |
| C07 | C08 | H081 | H082 | 117.4° | 120.0° |
| C07 | C08 | C09 | H091 | 70.1° | 60.0° |
| C07 | C08 | C09 | H092 | 47.3° | 60.0° |
| C08 | C09 | C10 | H091 | 121.3° | 119.9° |
| C08 | C09 | C10 | H092 | 121.3° | 120.0° |
| C08 | C09 | C10 | C11 | 109.4° | 180.0° |
| C09 | C08 | C07 | H071 | 9.7° | 60.0° |
| C09 | C08 | C07 | H072 | 107.2° | 60.0° |
| C09 | C08 | H081 | H082 | 117.4° | 120.0° |
| C08 | C09 | H091 | H092 | 115.9° | 120.0° |
| C08 | C09 | C10 | H101 | 12.0° | 60.0° |
| C08 | C09 | C10 | H102 | 129.2° | 60.0° |
| C09 | C10 | C11 | H101 | 121.4° | 120.0° |
| C09 | C10 | C11 | H102 | 121.4° | 120.0° |
| C09 | C10 | C11 | O12 | 143.0° | 0.0° |
| C09 | C10 | C11 | N13 | 37.6° | 180.0° |
| C10 | C09 | C08 | H081 | 47.7° | 60.0° |
| C10 | C09 | C08 | H082 | 70.6° | 60.0° |
| C10 | C09 | H091 | H092 | 115.9° | 120.1° |
| C09 | C10 | H101 | H102 | 115.5° | 120.0° |
| C10 | C11 | O12 | N13 | 179.4° | 180.0° |
| C10 | C11 | N13 | C14 | 178.5° | 175.3° |
| C11 | C10 | C09 | H091 | 129.3° | 60.1° |
| C11 | C10 | C09 | H092 | 11.9° | 60.0° |
| C11 | C10 | H101 | H102 | 115.4° | 120.0° |
| C10 | C11 | N13 | H13 | 1.5° | 4.6° |
| O12 | C11 | N13 | C14 | 0.9° | 4.6° |
| O12 | C11 | C10 | H101 | 21.6° | 120.0° |
| O12 | C11 | C10 | H102 | 95.6° | 120.0° |
| O12 | C11 | N13 | H13 | 179.1° | 175.4° |
| C11 | N13 | C14 | H13 | 180.0° | 180.0° |
| C11 | N13 | C14 | C15 | 123.9° | 35.1° |
| C11 | N13 | C14 | C19 | 59.7° | 145.2° |
| N13 | C11 | C10 | H101 | 159.0° | 60.0° |
| N13 | C11 | C10 | H102 | 83.8° | 60.0° |
| N13 | C14 | C15 | C19 | 176.5° | 179.7° |
| N13 | C14 | C15 | C16 | 179.3° | 180.0° |
| N13 | C14 | C19 | C18 | 179.1° | 179.7° |
| N13 | C14 | C15 | H15 | 0.7° | 0.1° |
| N13 | C14 | C19 | H19 | 0.9° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 1.7° | 0.0° |
| C15 | C14 | C19 | C18 | 2.7° | 0.6° |
| C15 | C14 | N13 | H13 | 56.1° | 144.9° |
| C15 | C14 | C19 | H19 | 177.3° | 179.7° |
| C14 | C15 | C16 | H16 | 178.3° | 180.0° |
| C19 | C14 | C15 | C16 | 2.8° | 0.3° |
| C14 | C19 | C18 | C17 | 1.5° | 0.5° |
| C14 | C19 | C18 | H19 | 180.0° | 179.8° |
| C19 | C14 | N13 | H13 | 120.4° | 34.8° |
| C19 | C14 | C15 | H15 | 177.2° | 179.8° |
| C14 | C19 | C18 | H18 | 178.5° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.5° | 0.0° |
| C15 | C16 | C17 | H17 | 179.5° | 179.9° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.4° | 0.3° |
| C17 | C16 | C15 | H15 | 178.3° | 180.0° |
| C16 | C17 | C18 | H18 | 179.6° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C17 | C18 | C19 | H19 | 178.5° | 179.7° |
| C18 | C17 | C16 | H16 | 179.6° | 180.0° |
| C19 | C18 | C17 | H17 | 179.6° | 179.7° |
| H031 | C03 | S04 | H32 | 58.3° | 59.9° |
| H032 | C03 | S04 | H32 | 58.3° | 60.0° |
| H05 | N05 | C06 | H061 | 28.3° | 120.0° |
| H05 | N05 | C06 | H062 | 145.9° | 120.0° |
| H061 | C06 | C07 | H071 | 101.3° | 180.0° |
| H061 | C06 | C07 | H072 | 141.9° | 59.9° |
| H062 | C06 | C07 | H071 | 16.3° | 60.0° |
| H062 | C06 | C07 | H072 | 100.5° | 180.0° |
| H071 | C07 | C08 | H081 | 130.5° | NaN° |
| H071 | C07 | C08 | H082 | 111.2° | 60.0° |
| H072 | C07 | C08 | H081 | 13.6° | 60.1° |
| H072 | C07 | C08 | H082 | 132.0° | 180.0° |
| H081 | C08 | C09 | H091 | 169.0° | 180.0° |
| H081 | C08 | C09 | H092 | 73.6° | 60.0° |
| H082 | C08 | C09 | H091 | 50.7° | 60.0° |
| H082 | C08 | C09 | H092 | 168.1° | NaN° |
| H091 | C09 | C10 | H101 | 109.3° | 180.0° |
| H091 | C09 | C10 | H102 | 7.9° | 59.9° |
| H092 | C09 | C10 | H101 | 133.3° | 60.0° |
| H092 | C09 | C10 | H102 | 109.5° | 180.0° |
| H15 | C15 | C16 | H16 | 1.6° | 0.1° |
| H19 | C19 | C18 | H18 | 1.5° | 0.0° |
| H16 | C16 | C17 | H17 | 0.5° | 0.0° |
| H17 | C17 | C18 | H18 | 0.4° | 0.0° |
