OZ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| O14 | S05 | doub | 1.42Å | 1.46Å | |
| C11 | C07 | sing | 1.53Å | 1.55Å | |
| S05 | N06 | sing | 1.66Å | 1.75Å | |
| S05 | O13 | doub | 1.42Å | 1.47Å | |
| S05 | C04 | sing | 1.81Å | 1.79Å | |
| O09 | B08 | sing | 1.42Å | 1.38Å | |
| N06 | C07 | sing | 1.46Å | 1.50Å | |
| C07 | B08 | sing | 1.57Å | 1.63Å | |
| C04 | C03 | sing | 1.51Å | 1.53Å | |
| B08 | O10 | sing | 1.42Å | 1.37Å | |
| C03 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | C01 | doub | 1.38Å | 1.40Å | Aromatic |
| O18 | C17 | doub | 1.21Å | 1.29Å | |
| C16 | C17 | sing | 1.48Å | 1.55Å | |
| C16 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | O19 | sing | 1.35Å | 1.25Å | |
| C01 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C07 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| O09 | H091 | sing | 0.97Å | 0.95Å | |
| O10 | H101 | sing | 0.97Å | 0.95Å | |
| O19 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C07 | 111.3° | 109.5° |
| C12 | C11 | H112 | 109.0° | 109.4° |
| C12 | C11 | H111 | 109.0° | 109.5° |
| C11 | C12 | H121 | 109.5° | 109.5° |
| C11 | C12 | H123 | 109.5° | 109.5° |
| C11 | C12 | H122 | 109.5° | 109.4° |
| O14 | S05 | N06 | 115.7° | 104.3° |
| O14 | S05 | O13 | 104.5° | 121.0° |
| O14 | S05 | C04 | 108.4° | 110.6° |
| C11 | C07 | N06 | 112.5° | 109.5° |
| C11 | C07 | B08 | 113.7° | 109.4° |
| C11 | C07 | H1 | 112.4° | 109.5° |
| C07 | C11 | H112 | 109.0° | 109.5° |
| C07 | C11 | H111 | 109.0° | 109.5° |
| N06 | S05 | O13 | 111.3° | 104.3° |
| N06 | S05 | C04 | 105.8° | 104.5° |
| S05 | N06 | C07 | 117.7° | 120.0° |
| S05 | N06 | H061 | 107.4° | 120.0° |
| O13 | S05 | C04 | 111.1° | 110.5° |
| S05 | C04 | C03 | 107.5° | 109.5° |
| S05 | C04 | H041 | 110.0° | 109.4° |
| S05 | C04 | H042 | 110.0° | 109.4° |
| O09 | B08 | C07 | 117.8° | 120.0° |
| O09 | B08 | O10 | 108.7° | 120.0° |
| B08 | O09 | H091 | 109.5° | 114.0° |
| N06 | C07 | B08 | 92.3° | 109.5° |
| N06 | C07 | H1 | 113.2° | 109.5° |
| C07 | N06 | H061 | 107.4° | 120.0° |
| C07 | B08 | O10 | 115.8° | 120.0° |
| B08 | C07 | H1 | 111.2° | 109.5° |
| C04 | C03 | C15 | 118.6° | 119.9° |
| C04 | C03 | C02 | 120.6° | 119.9° |
| C03 | C04 | H041 | 109.9° | 109.5° |
| C03 | C04 | H042 | 109.9° | 109.5° |
| B08 | O10 | H101 | 109.5° | 114.0° |
| C15 | C03 | C02 | 120.6° | 120.2° |
| C03 | C15 | C16 | 120.2° | 119.8° |
| C03 | C15 | H151 | 119.9° | 120.1° |
| C03 | C02 | C01 | 119.7° | 120.3° |
| C03 | C02 | H021 | 120.2° | 119.9° |
| C15 | C16 | C17 | 119.1° | 120.1° |
| C15 | C16 | C20 | 119.9° | 119.8° |
| C16 | C15 | H151 | 119.9° | 120.1° |
| C02 | C01 | C20 | 119.4° | 120.1° |
| C02 | C01 | H011 | 120.3° | 119.9° |
| C01 | C02 | H021 | 120.2° | 119.8° |
| O18 | C17 | C16 | 120.3° | 120.0° |
| O18 | C17 | O19 | 120.4° | 119.9° |
| C17 | C16 | C20 | 120.9° | 120.1° |
| C16 | C17 | O19 | 119.0° | 120.0° |
| C16 | C20 | C01 | 120.2° | 119.8° |
| C16 | C20 | H201 | 119.9° | 120.1° |
| C17 | O19 | H2 | 109.5° | 117.0° |
| C01 | C20 | H201 | 119.9° | 120.1° |
| C20 | C01 | H011 | 120.3° | 119.9° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.4° | 109.5° |
| H123 | C12 | H122 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C07 | H112 | 120.2° | 120.0° |
| C12 | C11 | C07 | H111 | 120.3° | 120.0° |
| C12 | C11 | C07 | N06 | 44.4° | 179.9° |
| C12 | C11 | C07 | B08 | 58.8° | 60.0° |
| C12 | C11 | C07 | H1 | 173.7° | 60.0° |
| C12 | C11 | H112 | H111 | 119.2° | 120.0° |
| C11 | C12 | H121 | H123 | 120.0° | 120.1° |
| C11 | C12 | H121 | H122 | 120.0° | 120.0° |
| C11 | C12 | H123 | H122 | 120.0° | 119.9° |
| O14 | S05 | N06 | O13 | 119.2° | 127.8° |
| O14 | S05 | N06 | C04 | 120.1° | 116.1° |
| O14 | S05 | O13 | C04 | 116.7° | 131.5° |
| O14 | S05 | N06 | C07 | 98.9° | 178.9° |
| O14 | S05 | C04 | C03 | 173.3° | 68.4° |
| O14 | S05 | C04 | H041 | 67.0° | 51.7° |
| O14 | S05 | C04 | H042 | 53.6° | 171.6° |
| O14 | S05 | N06 | H061 | 139.9° | 1.1° |
| C11 | C07 | N06 | S05 | 75.6° | 90.0° |
| C11 | C07 | B08 | O09 | 51.3° | 60.0° |
| C11 | C07 | N06 | B08 | 116.9° | 119.9° |
| C11 | C07 | N06 | H1 | 128.8° | 120.0° |
| C11 | C07 | B08 | H1 | 128.1° | 120.0° |
| C11 | C07 | B08 | O10 | 177.5° | 120.0° |
| C07 | C11 | H112 | H111 | 119.2° | 120.0° |
| C07 | C11 | C12 | H121 | 180.0° | 60.0° |
| C07 | C11 | C12 | H123 | 60.0° | 179.9° |
| C07 | C11 | C12 | H122 | 60.0° | 60.0° |
| C11 | C07 | N06 | H061 | 163.3° | 90.0° |
| N06 | S05 | O13 | C04 | 117.6° | 111.8° |
| S05 | N06 | C07 | H061 | 121.2° | 180.0° |
| S05 | N06 | C07 | B08 | 167.6° | 150.1° |
| N06 | S05 | C04 | C03 | 48.6° | 180.0° |
| N06 | S05 | C04 | H041 | 168.2° | 60.0° |
| N06 | S05 | C04 | H042 | 71.1° | 60.0° |
| S05 | N06 | C07 | H1 | 53.3° | 30.0° |
| O13 | S05 | N06 | C07 | 20.3° | 51.1° |
| O13 | S05 | C04 | C03 | 72.4° | 68.4° |
| O13 | S05 | C04 | H041 | 47.3° | 171.6° |
| O13 | S05 | C04 | H042 | 168.0° | 51.6° |
| O13 | S05 | N06 | H061 | 100.9° | 129.0° |
| C04 | S05 | N06 | C07 | 141.0° | 65.0° |
| S05 | C04 | C03 | H041 | 119.7° | 120.0° |
| S05 | C04 | C03 | H042 | 119.7° | 119.9° |
| S05 | C04 | C03 | C15 | 94.8° | 90.0° |
| S05 | C04 | C03 | C02 | 90.3° | 90.0° |
| S05 | C04 | H041 | H042 | 121.0° | 119.9° |
| C04 | S05 | N06 | H061 | 19.8° | 115.0° |
| O09 | B08 | C07 | N06 | 64.5° | 59.9° |
| O09 | B08 | C07 | O10 | 131.2° | 179.9° |
| O09 | B08 | C07 | H1 | 179.4° | 180.0° |
| O09 | B08 | O10 | H101 | 18.2° | 0.0° |
| N06 | C07 | B08 | H1 | 116.1° | 120.1° |
| N06 | C07 | B08 | O10 | 66.6° | 120.0° |
| N06 | C07 | C11 | H112 | 164.7° | 60.0° |
| N06 | C07 | C11 | H111 | 75.8° | 60.0° |
| B08 | C07 | C11 | H112 | 61.4° | 60.0° |
| B08 | C07 | C11 | H111 | 179.1° | 180.0° |
| B08 | C07 | N06 | H061 | 46.4° | 30.0° |
| C07 | B08 | O09 | H091 | 180.0° | 0.0° |
| C07 | B08 | O10 | H101 | 117.1° | 179.9° |
| C04 | C03 | C15 | C02 | 174.9° | 179.9° |
| C04 | C03 | C15 | C16 | 178.1° | 180.0° |
| C04 | C03 | C02 | C01 | 177.1° | 179.4° |
| C04 | C03 | C15 | H151 | 1.9° | 0.4° |
| C04 | C03 | C02 | H021 | 2.9° | 0.2° |
| C03 | C04 | H041 | H042 | 120.9° | 120.1° |
| O10 | B08 | C07 | H1 | 49.4° | 0.1° |
| O10 | B08 | O09 | H091 | 45.7° | 180.0° |
| C03 | C15 | C16 | H151 | 180.0° | 179.6° |
| C15 | C03 | C02 | C01 | 2.2° | 0.5° |
| C03 | C15 | C16 | C17 | 175.1° | 179.7° |
| C03 | C15 | C16 | C20 | 2.6° | 0.3° |
| C15 | C03 | C02 | H021 | 177.7° | 179.7° |
| C15 | C03 | C04 | H041 | 145.5° | 150.0° |
| C15 | C03 | C04 | H042 | 24.9° | 29.9° |
| C02 | C03 | C15 | C16 | 3.2° | 0.1° |
| C03 | C02 | C01 | H021 | 180.0° | 179.2° |
| C03 | C02 | C01 | C20 | 0.7° | 0.9° |
| C02 | C03 | C15 | H151 | 176.8° | 179.7° |
| C03 | C02 | C01 | H011 | 179.3° | 179.8° |
| C02 | C03 | C04 | H041 | 29.4° | 29.9° |
| C02 | C03 | C04 | H042 | 150.0° | 150.0° |
| C15 | C16 | C17 | O18 | 44.2° | 0.0° |
| C15 | C16 | C17 | C20 | 177.6° | 180.0° |
| C15 | C16 | C17 | O19 | 142.6° | 180.0° |
| C15 | C16 | C20 | C01 | 1.1° | 0.1° |
| C15 | C16 | C20 | H201 | 179.0° | 179.9° |
| C02 | C01 | C20 | C16 | 0.1° | 0.6° |
| C02 | C01 | C20 | H011 | 180.0° | 179.4° |
| C02 | C01 | C20 | H201 | 179.9° | 179.5° |
| O18 | C17 | C16 | O19 | 173.3° | 180.0° |
| O18 | C17 | C16 | C20 | 133.5° | 180.0° |
| O18 | C17 | O19 | H2 | 0.0° | 0.0° |
| C17 | C16 | C20 | C01 | 176.6° | 180.0° |
| C17 | C16 | C15 | H151 | 4.9° | 0.1° |
| C17 | C16 | C20 | H201 | 3.4° | 0.1° |
| C16 | C17 | O19 | H2 | 173.3° | 180.0° |
| C20 | C16 | C17 | O19 | 39.8° | 0.0° |
| C16 | C20 | C01 | H201 | 180.0° | 179.9° |
| C20 | C16 | C15 | H151 | 177.4° | 179.9° |
| C16 | C20 | C01 | H011 | 179.9° | 180.0° |
| C20 | C01 | C02 | H021 | 179.3° | 180.0° |
| H201 | C20 | C01 | H011 | 0.1° | 0.1° |
| H011 | C01 | C02 | H021 | 0.7° | 0.6° |
| H1 | C07 | C11 | H112 | 66.0° | 180.0° |
| H1 | C07 | C11 | H111 | 53.4° | 60.0° |
| H1 | C07 | N06 | H061 | 67.9° | 150.0° |
| H112 | C11 | C12 | H121 | 59.8° | 60.0° |
| H112 | C11 | C12 | H123 | 60.3° | 60.1° |
| H112 | C11 | C12 | H122 | 179.7° | 180.0° |
| H111 | C11 | C12 | H121 | 59.7° | 180.0° |
| H111 | C11 | C12 | H123 | 179.7° | 59.9° |
| H111 | C11 | C12 | H122 | 60.3° | 60.0° |
| H121 | C12 | H123 | H122 | 120.0° | 120.0° |
