NZ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C03 | doub | 1.21Å | 1.27Å | |
| C01 | C02 | sing | 1.53Å | 1.50Å | |
| C03 | O04 | sing | 1.34Å | 1.27Å | |
| C03 | C02 | sing | 1.51Å | 1.50Å | |
| C02 | N06 | sing | 1.47Å | 1.44Å | |
| N06 | C07 | sing | 1.40Å | 1.44Å | |
| N06 | S13 | sing | 1.66Å | 1.61Å | |
| C12 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| O15 | S13 | doub | 1.42Å | 1.45Å | |
| S13 | C14 | sing | 1.81Å | 1.77Å | |
| S13 | O16 | doub | 1.42Å | 1.45Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| O04 | H5 | sing | 0.97Å | 0.95Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C03 | O04 | 118.1° | 120.0° |
| O05 | C03 | C02 | 120.4° | 120.0° |
| C01 | C02 | C03 | 115.1° | 109.5° |
| C01 | C02 | N06 | 111.1° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 106.0° | 109.5° |
| O04 | C03 | C02 | 121.5° | 120.0° |
| C03 | O04 | H5 | 109.5° | 117.0° |
| C03 | C02 | N06 | 111.4° | 109.5° |
| C03 | C02 | H4 | 106.0° | 109.5° |
| C02 | N06 | C07 | 120.3° | 120.0° |
| C02 | N06 | S13 | 119.9° | 120.0° |
| N06 | C02 | H4 | 106.7° | 109.4° |
| C07 | N06 | S13 | 118.6° | 120.0° |
| N06 | C07 | C12 | 120.3° | 120.1° |
| N06 | C07 | C08 | 120.2° | 120.1° |
| N06 | S13 | O15 | 108.3° | 104.3° |
| N06 | S13 | C14 | 111.5° | 104.5° |
| N06 | S13 | O16 | 106.7° | 104.3° |
| C07 | C12 | C11 | 120.4° | 119.9° |
| C12 | C07 | C08 | 119.5° | 119.9° |
| C07 | C12 | H10 | 119.8° | 120.0° |
| C12 | C11 | C10 | 119.6° | 120.1° |
| C12 | C11 | H9 | 120.2° | 120.0° |
| C11 | C12 | H10 | 119.8° | 120.1° |
| C07 | C08 | C09 | 120.2° | 119.9° |
| C07 | C08 | H6 | 119.9° | 120.1° |
| C11 | C10 | C09 | 120.3° | 120.1° |
| C11 | C10 | H8 | 119.8° | 119.9° |
| C10 | C11 | H9 | 120.2° | 119.9° |
| C10 | C09 | C08 | 119.9° | 120.1° |
| C10 | C09 | H7 | 120.0° | 119.9° |
| C09 | C10 | H8 | 119.9° | 120.0° |
| C09 | C08 | H6 | 119.9° | 120.0° |
| C08 | C09 | H7 | 120.1° | 120.0° |
| O15 | S13 | C14 | 109.8° | 110.5° |
| O15 | S13 | O16 | 110.4° | 121.0° |
| C14 | S13 | O16 | 110.1° | 110.5° |
| S13 | C14 | H11 | 109.5° | 109.5° |
| S13 | C14 | H12 | 109.4° | 109.5° |
| S13 | C14 | H13 | 109.5° | 109.4° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H13 | 109.5° | 109.4° |
| H12 | C14 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C03 | C02 | C01 | 27.4° | 94.2° |
| O05 | C03 | O04 | C02 | 179.6° | 180.0° |
| O05 | C03 | C02 | N06 | 100.2° | 25.8° |
| O05 | C03 | C02 | H4 | 144.1° | 145.8° |
| O05 | C03 | O04 | H5 | 0.0° | 0.0° |
| C01 | C02 | C03 | O04 | 153.1° | 85.7° |
| C01 | C02 | C03 | N06 | 127.6° | 120.0° |
| C01 | C02 | C03 | H4 | 116.7° | 120.0° |
| C01 | C02 | N06 | H4 | 115.0° | 119.9° |
| C01 | C02 | N06 | C07 | 65.0° | 59.9° |
| C01 | C02 | N06 | S13 | 127.8° | 120.1° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| O04 | C03 | C02 | N06 | 79.3° | 154.2° |
| O04 | C03 | C02 | H4 | 36.4° | 34.3° |
| C03 | C02 | N06 | H4 | 115.2° | 120.0° |
| C03 | C02 | N06 | C07 | 64.7° | 60.2° |
| C03 | C02 | N06 | S13 | 102.4° | 119.8° |
| C03 | C02 | C01 | H1 | 180.0° | 175.8° |
| C03 | C02 | C01 | H2 | 60.0° | 55.8° |
| C03 | C02 | C01 | H3 | 60.0° | 64.2° |
| C02 | C03 | O04 | H5 | 179.5° | 180.0° |
| C02 | N06 | C07 | S13 | 167.3° | 180.0° |
| C02 | N06 | C07 | C12 | 96.2° | 112.6° |
| C02 | N06 | C07 | C08 | 84.5° | 67.6° |
| C02 | N06 | S13 | O15 | 30.8° | 159.6° |
| C02 | N06 | S13 | C14 | 90.1° | 84.3° |
| C02 | N06 | S13 | O16 | 149.7° | 31.7° |
| N06 | C02 | C01 | H1 | 52.2° | 55.7° |
| N06 | C02 | C01 | H2 | 67.8° | 64.3° |
| N06 | C02 | C01 | H3 | 172.2° | 175.7° |
| N06 | C07 | C12 | C08 | 179.3° | 179.8° |
| N06 | C07 | C12 | C11 | 179.6° | 179.8° |
| N06 | C07 | C08 | C09 | 179.2° | 180.0° |
| C07 | N06 | S13 | O15 | 161.8° | 20.4° |
| C07 | N06 | S13 | C14 | 77.3° | 95.7° |
| C07 | N06 | S13 | O16 | 43.0° | 148.3° |
| C07 | N06 | C02 | H4 | 180.0° | 179.8° |
| N06 | C07 | C08 | H6 | 0.9° | 0.1° |
| N06 | C07 | C12 | H10 | 0.4° | 0.1° |
| S13 | N06 | C07 | C12 | 96.4° | 67.4° |
| S13 | N06 | C07 | C08 | 82.8° | 112.4° |
| N06 | S13 | O15 | C14 | 121.9° | 111.8° |
| N06 | S13 | O15 | O16 | 116.5° | 116.8° |
| N06 | S13 | C14 | O16 | 118.2° | 111.6° |
| S13 | N06 | C02 | H4 | 12.8° | 0.2° |
| N06 | S13 | C14 | H11 | 180.0° | 68.3° |
| N06 | S13 | C14 | H12 | 60.0° | 171.6° |
| N06 | S13 | C14 | H13 | 60.0° | 51.6° |
| C07 | C12 | C11 | H10 | 180.0° | 179.9° |
| C07 | C12 | C11 | C10 | 0.7° | 0.4° |
| C12 | C07 | C08 | C09 | 1.6° | 0.2° |
| C12 | C07 | C08 | H6 | 178.4° | 179.8° |
| C07 | C12 | C11 | H9 | 179.3° | 179.8° |
| C11 | C12 | C07 | C08 | 1.1° | 0.4° |
| C12 | C11 | C10 | H9 | 180.0° | 179.8° |
| C12 | C11 | C10 | C09 | 0.7° | 0.2° |
| C12 | C11 | C10 | H8 | 179.3° | 179.8° |
| C07 | C08 | C09 | C10 | 1.6° | 0.0° |
| C07 | C08 | C09 | H6 | 180.0° | 180.0° |
| C07 | C08 | C09 | H7 | 178.4° | 180.0° |
| C08 | C07 | C12 | H10 | 178.8° | 179.7° |
| C11 | C10 | C09 | H8 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 1.1° | 0.1° |
| C11 | C10 | C09 | H7 | 178.8° | 180.0° |
| C10 | C11 | C12 | H10 | 179.3° | 179.7° |
| C10 | C09 | C08 | H7 | 180.0° | 179.9° |
| C10 | C09 | C08 | H6 | 178.4° | 179.9° |
| C09 | C10 | C11 | H9 | 179.3° | 180.0° |
| C08 | C09 | C10 | H8 | 178.9° | 180.0° |
| O15 | S13 | C14 | O16 | 121.8° | 136.7° |
| O15 | S13 | C14 | H11 | 60.0° | 43.3° |
| O15 | S13 | C14 | H12 | 60.0° | 76.8° |
| O15 | S13 | C14 | H13 | 180.0° | 163.2° |
| S13 | C14 | H11 | H12 | 120.0° | 120.1° |
| S13 | C14 | H11 | H13 | 120.0° | 119.9° |
| S13 | C14 | H12 | H13 | 120.0° | 120.0° |
| O16 | S13 | C14 | H11 | 61.8° | 179.9° |
| O16 | S13 | C14 | H12 | 178.2° | 60.0° |
| O16 | S13 | C14 | H13 | 58.3° | 60.1° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 63.3° | 64.2° |
| H2 | C01 | C02 | H4 | 176.7° | 175.8° |
| H3 | C01 | C02 | H4 | 56.7° | 55.8° |
| H6 | C08 | C09 | H7 | 1.6° | 0.0° |
| H7 | C09 | C10 | H8 | 1.2° | 0.0° |
| H8 | C10 | C11 | H9 | 0.7° | 0.0° |
| H9 | C11 | C12 | H10 | 0.8° | 0.1° |
| H11 | C14 | H12 | H13 | 120.0° | 119.9° |
