I7O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C03 | doub | 1.37Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| C09 | C05 | sing | 1.47Å | 1.44Å | Aromatic |
| C09 | C08 | doub | 1.34Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.41Å | 1.37Å | Aromatic |
| C08 | N07 | sing | 1.37Å | 1.33Å | Aromatic |
| C02 | C01 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | N07 | sing | 1.38Å | 1.35Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.42Å | Aromatic |
| N07 | C10 | sing | 1.47Å | 1.42Å | |
| O13 | C11 | doub | 1.21Å | 1.26Å | |
| C10 | C11 | sing | 1.51Å | 1.56Å | |
| C11 | O12 | sing | 1.34Å | 1.30Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.08Å | 1.08Å | |
| C02 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| O12 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C04 | C05 | 121.0° | 119.8° |
| C04 | C03 | C02 | 118.8° | 120.6° |
| C04 | C03 | H5 | 120.6° | 119.7° |
| C03 | C04 | H6 | 119.5° | 120.1° |
| C04 | C05 | C09 | 133.6° | 134.0° |
| C04 | C05 | C06 | 120.2° | 119.9° |
| C05 | C04 | H6 | 119.5° | 120.1° |
| C05 | C09 | C08 | 105.7° | 107.0° |
| C09 | C05 | C06 | 106.2° | 106.0° |
| C05 | C09 | H8 | 127.2° | 126.5° |
| C09 | C08 | N07 | 108.8° | 109.9° |
| C09 | C08 | H7 | 125.6° | 125.0° |
| C08 | C09 | H8 | 127.2° | 126.5° |
| C03 | C02 | C01 | 120.4° | 120.7° |
| C03 | C02 | H4 | 119.8° | 119.7° |
| C02 | C03 | H5 | 120.6° | 119.7° |
| C05 | C06 | N07 | 108.9° | 107.2° |
| C05 | C06 | C01 | 119.1° | 119.3° |
| C08 | N07 | C06 | 110.4° | 109.9° |
| C08 | N07 | C10 | 123.8° | 125.1° |
| N07 | C08 | H7 | 125.6° | 125.0° |
| C02 | C01 | C06 | 120.5° | 119.7° |
| C02 | C01 | H3 | 119.8° | 120.1° |
| C01 | C02 | H4 | 119.8° | 119.7° |
| N07 | C06 | C01 | 132.0° | 133.5° |
| C06 | N07 | C10 | 125.7° | 125.1° |
| C06 | C01 | H3 | 119.7° | 120.2° |
| N07 | C10 | C11 | 115.2° | 109.5° |
| N07 | C10 | H1 | 108.0° | 109.5° |
| N07 | C10 | H2 | 108.0° | 109.5° |
| O13 | C11 | C10 | 122.2° | 120.0° |
| O13 | C11 | O12 | 119.1° | 120.1° |
| C10 | C11 | O12 | 118.7° | 120.0° |
| C11 | C10 | H1 | 108.0° | 109.4° |
| C11 | C10 | H2 | 108.0° | 109.5° |
| C11 | O12 | H9 | 109.5° | 116.9° |
| H1 | C10 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C04 | C05 | H6 | 180.0° | 179.8° |
| C03 | C04 | C05 | C09 | 180.0° | 180.0° |
| C04 | C03 | C02 | H5 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.4° | 0.4° |
| C04 | C03 | C02 | C01 | 1.0° | 0.0° |
| C04 | C03 | C02 | H4 | 179.0° | 179.9° |
| C04 | C05 | C09 | C06 | 179.7° | 179.7° |
| C04 | C05 | C09 | C08 | 179.7° | 180.0° |
| C05 | C04 | C03 | C02 | 0.8° | 0.1° |
| C04 | C05 | C06 | N07 | 179.6° | 179.9° |
| C04 | C05 | C06 | C01 | 0.1° | 0.6° |
| C05 | C04 | C03 | H5 | 179.2° | 179.9° |
| C04 | C05 | C09 | H8 | 0.3° | 0.1° |
| C05 | C09 | C08 | H8 | 180.0° | 179.9° |
| C05 | C09 | C08 | N07 | 0.6° | 0.4° |
| C09 | C05 | C06 | N07 | 0.6° | 0.2° |
| C09 | C05 | C06 | C01 | 179.9° | 179.7° |
| C09 | C05 | C04 | H6 | 0.0° | 0.2° |
| C05 | C09 | C08 | H7 | 179.4° | 179.9° |
| C08 | C09 | C05 | C06 | 0.0° | 0.3° |
| C09 | C08 | N07 | H7 | 180.0° | 179.7° |
| C09 | C08 | N07 | C06 | 1.0° | 0.2° |
| C09 | C08 | N07 | C10 | 178.7° | 179.8° |
| C03 | C02 | C01 | H4 | 180.0° | 179.9° |
| C03 | C02 | C01 | C06 | 0.7° | 0.3° |
| C03 | C02 | C01 | H3 | 179.3° | 180.0° |
| C02 | C03 | C04 | H6 | 179.2° | 179.9° |
| C05 | C06 | N07 | C08 | 1.0° | 0.0° |
| C05 | C06 | C01 | C02 | 0.3° | 0.6° |
| C05 | C06 | N07 | C01 | 179.5° | 179.3° |
| C05 | C06 | N07 | C10 | 178.7° | 180.0° |
| C05 | C06 | C01 | H3 | 179.7° | 179.7° |
| C06 | C05 | C04 | H6 | 179.6° | 179.8° |
| C06 | C05 | C09 | H8 | 180.0° | 179.8° |
| C08 | N07 | C06 | C10 | 177.6° | 180.0° |
| C08 | N07 | C06 | C01 | 179.5° | 179.3° |
| C08 | N07 | C10 | C11 | 84.3° | 95.0° |
| C08 | N07 | C10 | H1 | 154.8° | 24.9° |
| C08 | N07 | C10 | H2 | 36.5° | 145.0° |
| N07 | C08 | C09 | H8 | 179.4° | 179.8° |
| C02 | C01 | C06 | N07 | 179.7° | 179.8° |
| C02 | C01 | C06 | H3 | 180.0° | 179.7° |
| C01 | C02 | C03 | H5 | 179.0° | 180.0° |
| C06 | N07 | C10 | C11 | 98.4° | 85.0° |
| C06 | N07 | C10 | H1 | 22.5° | 155.0° |
| C06 | N07 | C10 | H2 | 140.8° | 35.0° |
| N07 | C06 | C01 | H3 | 0.3° | 0.4° |
| C06 | N07 | C08 | H7 | 179.0° | 180.0° |
| C01 | C06 | N07 | C10 | 1.9° | 0.7° |
| C06 | C01 | C02 | H4 | 179.2° | 179.7° |
| N07 | C10 | C11 | O13 | 12.8° | 0.0° |
| N07 | C10 | C11 | H1 | 120.8° | 120.0° |
| N07 | C10 | C11 | H2 | 120.8° | 120.0° |
| N07 | C10 | C11 | O12 | 167.7° | 180.0° |
| N07 | C10 | H1 | H2 | 117.4° | 120.1° |
| C10 | N07 | C08 | H7 | 1.3° | 0.0° |
| O13 | C11 | C10 | O12 | 179.5° | 180.0° |
| O13 | C11 | C10 | H1 | 133.6° | 120.0° |
| O13 | C11 | C10 | H2 | 108.0° | 120.1° |
| O13 | C11 | O12 | H9 | 0.0° | 0.0° |
| C11 | C10 | H1 | H2 | 117.4° | 119.9° |
| C10 | C11 | O12 | H9 | 179.5° | 179.9° |
| O12 | C11 | C10 | H1 | 46.9° | 60.0° |
| O12 | C11 | C10 | H2 | 71.5° | 60.0° |
| H3 | C01 | C02 | H4 | 0.7° | 0.0° |
| H4 | C02 | C03 | H5 | 1.0° | 0.1° |
| H5 | C03 | C04 | H6 | 0.8° | 0.1° |
| H7 | C08 | C09 | H8 | 0.6° | 0.0° |
