I7L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.36Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.41Å | 1.41Å | Aromatic |
| C08 | C13 | sing | 1.42Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.36Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C05 | sing | 1.36Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.51Å | |
| O01 | C02 | doub | 1.21Å | 1.26Å | |
| C02 | C04 | sing | 1.51Å | 1.51Å | |
| C02 | O03 | sing | 1.34Å | 1.26Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| O03 | H2 | sing | 0.97Å | 0.95Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 120.0° | 121.0° |
| C10 | C09 | C08 | 120.3° | 119.7° |
| C09 | C10 | H1 | 120.0° | 119.6° |
| C10 | C09 | H7 | 119.8° | 120.1° |
| C10 | C11 | C12 | 120.1° | 121.0° |
| C11 | C10 | H1 | 120.0° | 119.5° |
| C10 | C11 | H8 | 120.0° | 119.5° |
| C09 | C08 | C07 | 119.3° | 121.3° |
| C09 | C08 | C13 | 119.9° | 119.3° |
| C08 | C09 | H7 | 119.9° | 120.2° |
| C11 | C12 | C13 | 119.5° | 119.6° |
| C12 | C11 | H8 | 119.9° | 119.5° |
| C11 | C12 | H9 | 120.2° | 120.2° |
| C07 | C08 | C13 | 120.7° | 119.4° |
| C08 | C07 | C06 | 119.7° | 119.6° |
| C08 | C07 | H6 | 120.2° | 120.1° |
| C08 | C13 | C12 | 120.1° | 119.4° |
| C08 | C13 | C14 | 119.3° | 119.4° |
| C07 | C06 | C05 | 119.6° | 121.0° |
| C07 | C06 | H5 | 120.2° | 119.5° |
| C06 | C07 | H6 | 120.2° | 120.2° |
| C12 | C13 | C14 | 120.6° | 121.3° |
| C13 | C12 | H9 | 120.3° | 120.2° |
| C13 | C14 | C05 | 120.1° | 119.7° |
| C13 | C14 | H10 | 119.9° | 120.2° |
| C06 | C05 | C14 | 120.6° | 121.0° |
| C06 | C05 | C04 | 119.6° | 119.5° |
| C05 | C06 | H5 | 120.2° | 119.5° |
| C14 | C05 | C04 | 119.8° | 119.5° |
| C05 | C14 | H10 | 119.9° | 120.2° |
| C05 | C04 | C02 | 108.5° | 109.4° |
| C05 | C04 | H3 | 109.7° | 109.5° |
| C05 | C04 | H4 | 109.8° | 109.5° |
| O01 | C02 | C04 | 119.1° | 120.0° |
| O01 | C02 | O03 | 121.0° | 120.0° |
| C04 | C02 | O03 | 119.9° | 120.0° |
| C02 | C04 | H3 | 109.7° | 109.5° |
| C02 | C04 | H4 | 109.7° | 109.5° |
| C02 | O03 | H2 | 109.5° | 117.0° |
| H3 | C04 | H4 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C10 | C09 | C08 | H7 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C09 | C08 | C07 | 179.8° | 180.0° |
| C10 | C09 | C08 | C13 | 0.6° | 0.1° |
| C09 | C10 | C11 | H8 | 179.9° | 180.0° |
| C11 | C10 | C09 | C08 | 0.3° | 0.1° |
| C10 | C11 | C12 | H8 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C11 | C10 | C09 | H7 | 179.7° | 180.0° |
| C10 | C11 | C12 | H9 | 179.8° | 180.0° |
| C09 | C08 | C07 | C13 | 179.2° | 179.9° |
| C09 | C08 | C07 | C06 | 179.6° | 179.9° |
| C09 | C08 | C13 | C12 | 0.7° | 0.1° |
| C09 | C08 | C13 | C14 | 179.9° | 179.9° |
| C08 | C09 | C10 | H1 | 179.7° | 179.7° |
| C09 | C08 | C07 | H6 | 0.4° | 0.1° |
| C11 | C12 | C13 | C08 | 0.5° | 0.0° |
| C11 | C12 | C13 | H9 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 179.9° | 180.0° |
| C12 | C11 | C10 | H1 | 179.9° | 179.7° |
| C08 | C07 | C06 | H6 | 180.0° | 180.0° |
| C07 | C08 | C13 | C12 | 179.9° | 180.0° |
| C07 | C08 | C13 | C14 | 0.7° | 0.1° |
| C08 | C07 | C06 | C05 | 0.3° | 0.0° |
| C08 | C07 | C06 | H5 | 179.7° | 180.0° |
| C07 | C08 | C09 | H7 | 0.2° | 0.1° |
| C13 | C08 | C07 | C06 | 0.4° | 0.1° |
| C08 | C13 | C12 | C14 | 179.4° | 180.0° |
| C08 | C13 | C14 | C05 | 1.0° | 0.0° |
| C13 | C08 | C07 | H6 | 179.6° | 180.0° |
| C13 | C08 | C09 | H7 | 179.4° | 180.0° |
| C08 | C13 | C12 | H9 | 179.5° | 180.0° |
| C08 | C13 | C14 | H10 | 179.1° | 179.9° |
| C07 | C06 | C05 | H5 | 180.0° | 179.9° |
| C07 | C06 | C05 | C14 | 0.6° | 0.1° |
| C07 | C06 | C05 | C04 | 179.4° | 180.0° |
| C12 | C13 | C14 | C05 | 179.6° | 180.0° |
| C13 | C12 | C11 | H8 | 179.8° | 180.0° |
| C12 | C13 | C14 | H10 | 0.4° | 0.1° |
| C13 | C14 | C05 | C06 | 0.9° | 0.1° |
| C13 | C14 | C05 | H10 | 180.0° | 179.9° |
| C13 | C14 | C05 | C04 | 179.7° | 180.0° |
| C14 | C13 | C12 | H9 | 0.1° | 0.0° |
| C06 | C05 | C14 | C04 | 178.8° | 179.9° |
| C06 | C05 | C04 | C02 | 78.9° | 90.0° |
| C06 | C05 | C04 | H3 | 41.0° | 29.9° |
| C06 | C05 | C04 | H4 | 161.3° | 150.0° |
| C05 | C06 | C07 | H6 | 179.7° | 180.0° |
| C06 | C05 | C14 | H10 | 179.1° | 180.0° |
| C14 | C05 | C04 | C02 | 99.9° | 90.1° |
| C14 | C05 | C04 | H3 | 140.2° | 149.9° |
| C14 | C05 | C04 | H4 | 19.9° | 29.9° |
| C14 | C05 | C06 | H5 | 179.4° | 180.0° |
| C05 | C04 | C02 | O01 | 66.5° | 0.0° |
| C05 | C04 | C02 | H3 | 119.9° | 120.0° |
| C05 | C04 | C02 | H4 | 119.9° | 120.0° |
| C05 | C04 | C02 | O03 | 112.7° | 180.0° |
| C05 | C04 | H3 | H4 | 120.5° | 120.0° |
| C04 | C05 | C06 | H5 | 0.6° | 0.1° |
| C04 | C05 | C14 | H10 | 0.3° | 0.1° |
| O01 | C02 | C04 | O03 | 179.2° | 180.0° |
| O01 | C02 | O03 | H2 | 0.0° | 0.1° |
| O01 | C02 | C04 | H3 | 53.4° | 120.0° |
| O01 | C02 | C04 | H4 | 173.7° | 120.0° |
| C04 | C02 | O03 | H2 | 179.1° | 180.0° |
| C02 | C04 | H3 | H4 | 120.4° | 120.0° |
| O03 | C02 | C04 | H3 | 127.4° | 60.0° |
| O03 | C02 | C04 | H4 | 7.2° | 60.1° |
| H1 | C10 | C09 | H7 | 0.3° | 0.3° |
| H1 | C10 | C11 | H8 | 0.2° | 0.3° |
| H5 | C06 | C07 | H6 | 0.3° | 0.0° |
| H8 | C11 | C12 | H9 | 0.2° | 0.0° |
