8CZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | N13 | doub | 1.29Å | 1.40Å | Aromatic |
| C12 | S11 | sing | 1.71Å | 1.63Å | Aromatic |
| N13 | C14 | sing | 1.31Å | 1.44Å | Aromatic |
| O09 | C08 | doub | 1.22Å | 1.19Å | |
| S11 | C10 | sing | 1.76Å | 1.61Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C10 | doub | 1.36Å | 1.42Å | Aromatic |
| C10 | C08 | sing | 1.47Å | 1.54Å | |
| C08 | N06 | sing | 1.35Å | 1.45Å | |
| N06 | C07 | sing | 1.46Å | 1.45Å | |
| N06 | C02 | sing | 1.47Å | 1.47Å | |
| C02 | C01 | sing | 1.53Å | 1.56Å | |
| C02 | C03 | sing | 1.53Å | 1.55Å | |
| C05 | C03 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | C12 | S11 | 110.3° | 110.4° |
| C12 | N13 | C14 | 111.4° | 117.4° |
| N13 | C12 | H16 | 124.8° | 124.8° |
| C12 | S11 | C10 | 97.5° | 90.3° |
| S11 | C12 | H16 | 124.9° | 124.8° |
| N13 | C14 | C15 | 125.0° | 122.9° |
| N13 | C14 | C10 | 109.9° | 114.2° |
| O09 | C08 | C10 | 120.2° | 120.1° |
| O09 | C08 | N06 | 120.6° | 120.0° |
| S11 | C10 | C14 | 110.8° | 107.8° |
| S11 | C10 | C08 | 125.3° | 126.1° |
| C15 | C14 | C10 | 125.1° | 122.9° |
| C14 | C15 | H1 | 109.5° | 109.5° |
| C14 | C15 | H2 | 109.5° | 109.5° |
| C14 | C15 | H3 | 109.4° | 109.5° |
| C14 | C10 | C08 | 123.9° | 126.1° |
| C10 | C08 | N06 | 119.2° | 120.0° |
| C08 | N06 | C07 | 119.3° | 120.0° |
| C08 | N06 | C02 | 120.2° | 120.0° |
| C07 | N06 | C02 | 120.5° | 120.0° |
| N06 | C07 | H13 | 109.5° | 109.5° |
| N06 | C07 | H14 | 109.5° | 109.5° |
| N06 | C07 | H15 | 109.5° | 109.5° |
| N06 | C02 | C01 | 110.1° | 109.5° |
| N06 | C02 | C03 | 113.6° | 109.4° |
| N06 | C02 | H7 | 108.0° | 109.5° |
| C01 | C02 | C03 | 110.9° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.4° |
| C02 | C01 | H5 | 109.5° | 109.4° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C01 | C02 | H7 | 106.9° | 109.5° |
| C02 | C03 | C05 | 116.8° | 117.5° |
| C02 | C03 | C04 | 111.8° | 117.5° |
| C03 | C02 | H7 | 107.1° | 109.5° |
| C02 | C03 | H8 | 118.1° | 115.6° |
| C03 | C05 | C04 | 60.1° | 60.0° |
| C05 | C03 | C04 | 59.7° | 60.0° |
| C05 | C03 | H8 | 118.5° | 117.5° |
| C03 | C05 | H11 | 120.0° | 117.5° |
| C03 | C05 | H12 | 120.0° | 117.4° |
| C05 | C04 | C03 | 60.2° | 60.0° |
| C05 | C04 | H9 | 119.9° | 117.5° |
| C05 | C04 | H10 | 119.9° | 117.5° |
| C04 | C05 | H11 | 120.0° | 117.5° |
| C04 | C05 | H12 | 120.0° | 117.5° |
| C04 | C03 | H8 | 118.5° | 117.5° |
| C03 | C04 | H9 | 120.0° | 117.5° |
| C03 | C04 | H10 | 120.0° | 117.5° |
| H1 | C15 | H2 | 109.5° | 109.4° |
| H1 | C15 | H3 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.4° | 109.5° |
| H5 | C01 | H6 | 109.4° | 109.5° |
| H9 | C04 | H10 | 109.5° | 115.5° |
| H11 | C05 | H12 | 109.5° | 115.6° |
| H13 | C07 | H14 | 109.5° | 109.4° |
| H13 | C07 | H15 | 109.4° | 109.4° |
| H14 | C07 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | C12 | S11 | H16 | 180.0° | 179.8° |
| N13 | C12 | S11 | C10 | 2.8° | 0.0° |
| C12 | N13 | C14 | C15 | 179.3° | 180.0° |
| C12 | N13 | C14 | C10 | 1.9° | 0.5° |
| S11 | C12 | N13 | C14 | 3.0° | 0.3° |
| C12 | S11 | C10 | C14 | 1.7° | 0.3° |
| C12 | S11 | C10 | C08 | 178.6° | 180.0° |
| N13 | C14 | C10 | S11 | 0.1° | 0.5° |
| N13 | C14 | C15 | C10 | 178.6° | 179.5° |
| N13 | C14 | C10 | C08 | 179.9° | 179.8° |
| N13 | C14 | C15 | H1 | 0.0° | 90.1° |
| N13 | C14 | C15 | H2 | 120.0° | 150.0° |
| N13 | C14 | C15 | H3 | 120.0° | 30.0° |
| C14 | N13 | C12 | H16 | 177.0° | 180.0° |
| O09 | C08 | C10 | S11 | 77.2° | 172.3° |
| O09 | C08 | C10 | C14 | 102.5° | 7.4° |
| O09 | C08 | C10 | N06 | 176.7° | 179.9° |
| O09 | C08 | N06 | C07 | 3.4° | 173.8° |
| O09 | C08 | N06 | C02 | 179.6° | 6.2° |
| S11 | C10 | C14 | C15 | 178.7° | 180.0° |
| S11 | C10 | C14 | C08 | 179.8° | 179.7° |
| S11 | C10 | C08 | N06 | 99.5° | 7.8° |
| C10 | S11 | C12 | H16 | 177.2° | 179.7° |
| C15 | C14 | C10 | C08 | 1.1° | 0.3° |
| C14 | C15 | H1 | H2 | 120.0° | 120.0° |
| C14 | C15 | H1 | H3 | 120.0° | 120.1° |
| C14 | C15 | H2 | H3 | 120.0° | 120.0° |
| C14 | C10 | C08 | N06 | 80.8° | 172.5° |
| C10 | C14 | C15 | H1 | 178.6° | 90.5° |
| C10 | C14 | C15 | H2 | 58.6° | 29.5° |
| C10 | C14 | C15 | H3 | 61.4° | 149.5° |
| C10 | C08 | N06 | C07 | 179.9° | 6.1° |
| C10 | C08 | N06 | C02 | 3.7° | 173.9° |
| C08 | N06 | C07 | C02 | 176.2° | 180.0° |
| C08 | N06 | C02 | C01 | 108.7° | 120.0° |
| C08 | N06 | C02 | C03 | 126.3° | 120.0° |
| C08 | N06 | C02 | H7 | 7.7° | 0.0° |
| C08 | N06 | C07 | H13 | 180.0° | 84.2° |
| C08 | N06 | C07 | H14 | 60.0° | 35.8° |
| C08 | N06 | C07 | H15 | 60.0° | 155.9° |
| C07 | N06 | C02 | C01 | 67.5° | 60.0° |
| C07 | N06 | C02 | C03 | 57.6° | 60.0° |
| C07 | N06 | C02 | H7 | 176.1° | 180.0° |
| N06 | C07 | H13 | H14 | 120.0° | 120.0° |
| N06 | C07 | H13 | H15 | 120.0° | 120.0° |
| N06 | C07 | H14 | H15 | 120.0° | 120.0° |
| N06 | C02 | C01 | C03 | 126.5° | 119.9° |
| N06 | C02 | C01 | H7 | 117.1° | 120.0° |
| N06 | C02 | C03 | H7 | 119.1° | 120.0° |
| N06 | C02 | C03 | C05 | 78.7° | 111.4° |
| N06 | C02 | C03 | C04 | 144.6° | 180.0° |
| N06 | C02 | C01 | H4 | 180.0° | 60.0° |
| N06 | C02 | C01 | H5 | 60.0° | 180.0° |
| N06 | C02 | C01 | H6 | 60.0° | 60.0° |
| N06 | C02 | C03 | H8 | 72.5° | 34.3° |
| C02 | N06 | C07 | H13 | 3.8° | 95.8° |
| C02 | N06 | C07 | H14 | 116.2° | 144.2° |
| C02 | N06 | C07 | H15 | 123.8° | 24.1° |
| C01 | C02 | C03 | H7 | 116.3° | 120.0° |
| C01 | C02 | C03 | C05 | 156.7° | 128.6° |
| C01 | C02 | C03 | C04 | 90.8° | 60.0° |
| C02 | C01 | H4 | H5 | 120.1° | 120.0° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | C02 | C03 | H8 | 52.1° | 85.6° |
| C02 | C03 | C05 | C04 | 100.8° | 107.4° |
| C02 | C03 | C05 | H8 | 151.1° | 145.1° |
| C02 | C03 | C04 | H8 | 142.7° | 145.0° |
| C03 | C02 | C01 | H4 | 53.4° | 60.0° |
| C03 | C02 | C01 | H5 | 173.5° | 60.0° |
| C03 | C02 | C01 | H6 | 66.5° | 180.0° |
| C02 | C03 | C04 | H9 | 141.3° | 0.0° |
| C02 | C03 | C04 | H10 | 0.3° | 145.0° |
| C02 | C03 | C05 | H11 | 149.7° | 145.1° |
| C02 | C03 | C05 | H12 | 8.8° | 0.0° |
| C03 | C05 | C04 | H11 | 109.5° | 107.5° |
| C03 | C05 | C04 | H12 | 109.5° | 107.4° |
| C05 | C03 | C04 | H8 | 108.2° | 107.5° |
| C05 | C03 | C02 | H7 | 40.4° | 8.6° |
| C03 | C05 | C04 | H9 | 109.5° | 107.5° |
| C03 | C05 | C04 | H10 | 109.5° | 107.5° |
| C03 | C05 | H11 | H12 | 144.6° | 145.7° |
| C05 | C04 | H9 | H10 | 144.6° | 145.7° |
| C04 | C05 | H11 | H12 | 144.7° | 145.7° |
| C04 | C03 | C02 | H7 | 25.5° | 60.0° |
| C03 | C04 | H9 | H10 | 144.6° | 145.7° |
| H1 | C15 | H2 | H3 | 120.0° | 120.0° |
| H4 | C01 | H5 | H6 | 119.9° | 120.1° |
| H4 | C01 | C02 | H7 | 63.0° | 179.9° |
| H5 | C01 | C02 | H7 | 57.1° | 60.1° |
| H6 | C01 | C02 | H7 | 177.1° | 59.9° |
| H7 | C02 | C03 | H8 | 168.4° | 154.3° |
| H8 | C03 | C04 | H9 | 1.4° | 145.0° |
| H8 | C03 | C04 | H10 | 142.3° | 0.0° |
| H8 | C03 | C05 | H11 | 1.4° | 0.1° |
| H8 | C03 | C05 | H12 | 142.3° | 145.1° |
| H9 | C04 | C05 | H11 | 0.0° | 145.0° |
| H9 | C04 | C05 | H12 | 141.0° | 0.1° |
| H10 | C04 | C05 | H11 | 141.0° | 0.0° |
| H10 | C04 | C05 | H12 | 0.0° | 145.1° |
| H13 | C07 | H14 | H15 | 120.0° | 120.0° |
