A1IH9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C06 | sing | 1.36Å | 1.38Å | |
| C07 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | N02 | sing | 1.47Å | 1.51Å | |
| C06 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.35Å | Aromatic |
| N02 | C01 | sing | 1.47Å | 1.48Å | |
| N02 | C04 | sing | 1.47Å | 1.53Å | |
| C09 | N10 | sing | 1.32Å | 1.42Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.44Å | |
| C05 | N10 | doub | 1.32Å | 1.36Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C08 | H11 | sing | 1.08Å | 1.08Å | |
| C07 | H12 | sing | 1.08Å | 1.08Å | |
| O11 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C06 | C07 | 121.1° | 120.5° |
| O11 | C06 | C05 | 117.4° | 120.5° |
| C06 | O11 | H13 | 109.5° | 114.0° |
| C06 | C07 | C08 | 120.9° | 118.4° |
| C07 | C06 | C05 | 121.5° | 119.0° |
| C06 | C07 | H12 | 119.6° | 120.8° |
| C07 | C08 | C09 | 117.4° | 119.2° |
| C07 | C08 | H11 | 121.3° | 120.4° |
| C08 | C07 | H12 | 119.6° | 120.8° |
| C03 | N02 | C01 | 109.3° | 111.0° |
| C03 | N02 | C04 | 114.4° | 111.0° |
| N02 | C03 | H5 | 109.5° | 109.5° |
| N02 | C03 | H6 | 109.4° | 109.5° |
| N02 | C03 | H7 | 109.5° | 109.4° |
| C06 | C05 | C04 | 122.3° | 119.6° |
| C06 | C05 | N10 | 116.9° | 120.7° |
| C08 | C09 | N10 | 122.2° | 120.9° |
| C08 | C09 | H10 | 118.9° | 119.6° |
| C09 | C08 | H11 | 121.3° | 120.4° |
| C01 | N02 | C04 | 111.8° | 111.0° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.4° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.4° |
| N02 | C04 | C05 | 110.5° | 109.4° |
| N02 | C04 | H8 | 109.2° | 109.4° |
| N02 | C04 | H9 | 109.2° | 109.5° |
| C09 | N10 | C05 | 121.0° | 121.8° |
| N10 | C09 | H10 | 118.9° | 119.5° |
| C04 | C05 | N10 | 120.5° | 119.7° |
| C05 | C04 | H8 | 109.2° | 109.5° |
| C05 | C04 | H9 | 109.2° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H5 | C03 | H7 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.4° |
| H8 | C04 | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C06 | C07 | C05 | 178.8° | 179.5° |
| O11 | C06 | C07 | C08 | 179.1° | 180.0° |
| O11 | C06 | C05 | C04 | 3.9° | 0.3° |
| O11 | C06 | C05 | N10 | 177.6° | 179.9° |
| O11 | C06 | C07 | H12 | 0.9° | 0.5° |
| C06 | C07 | C08 | H12 | 180.0° | 179.5° |
| C06 | C07 | C08 | C09 | 3.7° | 0.2° |
| C07 | C06 | C05 | C04 | 174.9° | 179.8° |
| C07 | C06 | C05 | N10 | 1.2° | 0.6° |
| C06 | C07 | C08 | H11 | 176.3° | 179.8° |
| C07 | C06 | O11 | H13 | 180.0° | 90.0° |
| C08 | C07 | C06 | C05 | 2.1° | 0.5° |
| C07 | C08 | C09 | H11 | 180.0° | 180.0° |
| C07 | C08 | C09 | N10 | 2.0° | 0.0° |
| C07 | C08 | C09 | H10 | 178.0° | 180.0° |
| C03 | N02 | C01 | C04 | 127.7° | 123.9° |
| C03 | N02 | C04 | C05 | 68.2° | 170.0° |
| C03 | N02 | C01 | H1 | 180.0° | 63.9° |
| C03 | N02 | C01 | H2 | 60.0° | 56.1° |
| C03 | N02 | C01 | H3 | 60.0° | 176.1° |
| N02 | C03 | H5 | H6 | 120.0° | 120.0° |
| N02 | C03 | H5 | H7 | 120.0° | 120.0° |
| N02 | C03 | H6 | H7 | 120.0° | 119.9° |
| C03 | N02 | C04 | H8 | 51.9° | 50.1° |
| C03 | N02 | C04 | H9 | 171.6° | 70.0° |
| C06 | C05 | C04 | N02 | 68.3° | 90.3° |
| C06 | C05 | N10 | C09 | 2.8° | 0.3° |
| C06 | C05 | C04 | N10 | 173.5° | 179.6° |
| C06 | C05 | C04 | H8 | 171.5° | 149.7° |
| C06 | C05 | C04 | H9 | 51.9° | 29.7° |
| C05 | C06 | C07 | H12 | 177.8° | 180.0° |
| C05 | C06 | O11 | H13 | 1.2° | 90.5° |
| C08 | C09 | N10 | H10 | 180.0° | 180.0° |
| C08 | C09 | N10 | C05 | 1.3° | 0.0° |
| C09 | C08 | C07 | H12 | 176.3° | 179.7° |
| C01 | N02 | C04 | C05 | 166.8° | 66.1° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C03 | H5 | 180.0° | 63.9° |
| C01 | N02 | C03 | H6 | 60.0° | 176.0° |
| C01 | N02 | C03 | H7 | 60.0° | 56.1° |
| C01 | N02 | C04 | H8 | 73.0° | 174.0° |
| C01 | N02 | C04 | H9 | 46.7° | 53.9° |
| N02 | C04 | C05 | H8 | 120.2° | 119.9° |
| N02 | C04 | C05 | H9 | 120.2° | 120.0° |
| N02 | C04 | C05 | N10 | 105.2° | 90.0° |
| C04 | N02 | C01 | H1 | 52.3° | 60.0° |
| C04 | N02 | C01 | H2 | 67.7° | 180.0° |
| C04 | N02 | C01 | H3 | 172.3° | 60.0° |
| C04 | N02 | C03 | H5 | 53.8° | 60.0° |
| C04 | N02 | C03 | H6 | 173.8° | 60.1° |
| C04 | N02 | C03 | H7 | 66.2° | 180.0° |
| N02 | C04 | H8 | H9 | 119.5° | 120.0° |
| C09 | N10 | C05 | C04 | 176.6° | 180.0° |
| N10 | C09 | C08 | H11 | 178.0° | 180.0° |
| C05 | C04 | H8 | H9 | 119.5° | 120.1° |
| N10 | C05 | C04 | H8 | 15.0° | 29.9° |
| N10 | C05 | C04 | H9 | 134.7° | 150.0° |
| C05 | N10 | C09 | H10 | 178.7° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H5 | C03 | H6 | H7 | 120.0° | 120.0° |
| H10 | C09 | C08 | H11 | 2.0° | 0.0° |
| H11 | C08 | C07 | H12 | 3.7° | 0.3° |
