A1IIG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C09 | doub | 1.33Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | S10 | sing | 1.76Å | 1.73Å | Aromatic |
| C07 | C06 | doub | 1.33Å | 1.39Å | Aromatic |
| S10 | C06 | sing | 1.76Å | 1.73Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.53Å | |
| N11 | C05 | sing | 1.47Å | 1.46Å | |
| C05 | C01 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.51Å | 1.52Å | |
| O04 | C02 | doub | 1.21Å | 1.26Å | |
| C02 | O03 | sing | 1.34Å | 1.26Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| N11 | H7 | sing | 1.01Å | 1.00Å | |
| N11 | H8 | sing | 1.01Å | 1.00Å | |
| O03 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C08 | C07 | 115.0° | 114.9° |
| C08 | C09 | S10 | 106.4° | 109.6° |
| C09 | C08 | H5 | 122.5° | 122.5° |
| C08 | C09 | H6 | 126.8° | 125.3° |
| C08 | C07 | C06 | 116.2° | 114.9° |
| C08 | C07 | H4 | 121.9° | 122.5° |
| C07 | C08 | H5 | 122.5° | 122.5° |
| C09 | S10 | C06 | 96.7° | 90.9° |
| S10 | C09 | H6 | 126.8° | 125.1° |
| C07 | C06 | S10 | 105.8° | 109.6° |
| C07 | C06 | C05 | 126.3° | 125.2° |
| C06 | C07 | H4 | 121.9° | 122.6° |
| S10 | C06 | C05 | 127.9° | 125.2° |
| C06 | C05 | N11 | 107.8° | 109.4° |
| C06 | C05 | C01 | 111.1° | 109.4° |
| C06 | C05 | H3 | 109.3° | 109.5° |
| N11 | C05 | C01 | 108.8° | 109.5° |
| N11 | C05 | H3 | 110.4° | 109.4° |
| C05 | N11 | H7 | 109.5° | 111.0° |
| C05 | N11 | H8 | 109.5° | 111.0° |
| C05 | C01 | C02 | 112.6° | 109.5° |
| C05 | C01 | H1 | 108.7° | 109.5° |
| C05 | C01 | H2 | 108.7° | 109.5° |
| C01 | C05 | H3 | 109.4° | 109.5° |
| C01 | C02 | O04 | 120.2° | 120.0° |
| C01 | C02 | O03 | 119.9° | 120.0° |
| C02 | C01 | H1 | 108.7° | 109.5° |
| C02 | C01 | H2 | 108.7° | 109.4° |
| O04 | C02 | O03 | 119.8° | 120.0° |
| C02 | O03 | H10 | 109.5° | 117.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H7 | N11 | H8 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C08 | C07 | H5 | 180.0° | 179.7° |
| C08 | C09 | S10 | H6 | 180.0° | 179.8° |
| C09 | C08 | C07 | C06 | 0.1° | 0.0° |
| C08 | C09 | S10 | C06 | 0.2° | 0.3° |
| C09 | C08 | C07 | H4 | 179.9° | 180.0° |
| C07 | C08 | C09 | S10 | 0.2° | 0.3° |
| C08 | C07 | C06 | H4 | 180.0° | 180.0° |
| C08 | C07 | C06 | S10 | 0.0° | 0.3° |
| C08 | C07 | C06 | C05 | 179.0° | 180.0° |
| C07 | C08 | C09 | H6 | 179.8° | 180.0° |
| C09 | S10 | C06 | C07 | 0.1° | 0.3° |
| C09 | S10 | C06 | C05 | 179.0° | 179.9° |
| S10 | C09 | C08 | H5 | 179.8° | 179.9° |
| C07 | C06 | S10 | C05 | 178.9° | 179.7° |
| C07 | C06 | C05 | N11 | 77.4° | 140.0° |
| C07 | C06 | C05 | C01 | 163.5° | 100.0° |
| C07 | C06 | C05 | H3 | 42.6° | 20.1° |
| C06 | C07 | C08 | H5 | 179.9° | 179.7° |
| S10 | C06 | C05 | N11 | 101.3° | 40.3° |
| S10 | C06 | C05 | C01 | 17.8° | 79.7° |
| S10 | C06 | C05 | H3 | 138.7° | 160.3° |
| S10 | C06 | C07 | H4 | 179.9° | 179.8° |
| C06 | S10 | C09 | H6 | 179.8° | 179.9° |
| C06 | C05 | N11 | C01 | 120.6° | 120.0° |
| C06 | C05 | N11 | H3 | 119.4° | 119.9° |
| C06 | C05 | C01 | H3 | 120.8° | 120.0° |
| C06 | C05 | C01 | C02 | 73.6° | 175.1° |
| C06 | C05 | C01 | H1 | 165.9° | 55.0° |
| C06 | C05 | C01 | H2 | 46.8° | 65.0° |
| C05 | C06 | C07 | H4 | 1.0° | 0.1° |
| C06 | C05 | N11 | H7 | 180.0° | 60.0° |
| C06 | C05 | N11 | H8 | 60.0° | 176.1° |
| N11 | C05 | C01 | H3 | 120.7° | 120.0° |
| N11 | C05 | C01 | C02 | 167.8° | 65.0° |
| N11 | C05 | C01 | H1 | 47.4° | 175.0° |
| N11 | C05 | C01 | H2 | 71.7° | 55.0° |
| C05 | N11 | H7 | H8 | 120.0° | 123.9° |
| C05 | C01 | C02 | H1 | 120.4° | 120.1° |
| C05 | C01 | C02 | H2 | 120.5° | 120.0° |
| C05 | C01 | C02 | O04 | 18.9° | 0.1° |
| C05 | C01 | C02 | O03 | 161.1° | 180.0° |
| C05 | C01 | H1 | H2 | 118.6° | 120.1° |
| C01 | C05 | N11 | H7 | 59.4° | 60.0° |
| C01 | C05 | N11 | H8 | 179.4° | 63.9° |
| C01 | C02 | O04 | O03 | 180.0° | 179.9° |
| C02 | C01 | H1 | H2 | 118.6° | 119.9° |
| C02 | C01 | C05 | H3 | 47.2° | 55.1° |
| C01 | C02 | O03 | H10 | 180.0° | 180.0° |
| O04 | C02 | C01 | H1 | 101.5° | 120.0° |
| O04 | C02 | C01 | H2 | 139.4° | 120.1° |
| O04 | C02 | O03 | H10 | 0.0° | 0.1° |
| O03 | C02 | C01 | H1 | 78.5° | 59.9° |
| O03 | C02 | C01 | H2 | 40.6° | 60.0° |
| H1 | C01 | C05 | H3 | 73.3° | 65.0° |
| H2 | C01 | C05 | H3 | 167.6° | 175.0° |
| H3 | C05 | N11 | H7 | 60.7° | 180.0° |
| H3 | C05 | N11 | H8 | 59.4° | 56.2° |
| H4 | C07 | C08 | H5 | 0.1° | 0.3° |
| H5 | C08 | C09 | H6 | 0.2° | 0.3° |
