E7O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C08 | doub | 1.36Å | 1.39Å | Aromatic |
| C07 | C05 | sing | 1.41Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.41Å | 1.41Å | Aromatic |
| C06 | C01 | sing | 1.36Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.42Å | 1.37Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C04 | C03 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | N11 | sing | 1.40Å | 1.46Å | |
| O22 | C20 | doub | 1.21Å | 1.26Å | |
| C02 | C03 | sing | 1.36Å | 1.39Å | Aromatic |
| N11 | C12 | sing | 1.35Å | 1.46Å | |
| O13 | C12 | doub | 1.21Å | 1.18Å | |
| C12 | C14 | sing | 1.48Å | 1.53Å | |
| C20 | O21 | sing | 1.35Å | 1.26Å | |
| C20 | C19 | sing | 1.48Å | 1.53Å | |
| C14 | C19 | doub | 1.41Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| O21 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C07 | C05 | 119.9° | 119.9° |
| C07 | C08 | C09 | 120.0° | 121.1° |
| C08 | C07 | H071 | 120.1° | 120.0° |
| C07 | C08 | H081 | 120.0° | 119.4° |
| C07 | C05 | C06 | 119.7° | 121.2° |
| C07 | C05 | C04 | 120.1° | 119.5° |
| C05 | C07 | H071 | 120.1° | 120.0° |
| C08 | C09 | C10 | 120.6° | 120.7° |
| C09 | C08 | H081 | 120.0° | 119.5° |
| C08 | C09 | H091 | 119.7° | 119.6° |
| C05 | C06 | C01 | 120.1° | 119.7° |
| C06 | C05 | C04 | 120.2° | 119.3° |
| C05 | C06 | H061 | 119.9° | 120.1° |
| C06 | C01 | C02 | 119.9° | 120.9° |
| C06 | C01 | H011 | 120.0° | 119.5° |
| C01 | C06 | H061 | 120.0° | 120.2° |
| C05 | C04 | C10 | 120.2° | 119.3° |
| C05 | C04 | C03 | 119.5° | 119.4° |
| C09 | C10 | C04 | 119.2° | 119.4° |
| C09 | C10 | N11 | 121.5° | 120.3° |
| C10 | C09 | H091 | 119.8° | 119.6° |
| C01 | C02 | C03 | 120.0° | 121.0° |
| C02 | C01 | H011 | 120.0° | 119.5° |
| C01 | C02 | H021 | 120.0° | 119.5° |
| C10 | C04 | C03 | 120.4° | 121.3° |
| C04 | C10 | N11 | 119.3° | 120.3° |
| C04 | C03 | C02 | 120.3° | 119.7° |
| C04 | C03 | H031 | 119.8° | 120.1° |
| C10 | N11 | C12 | 123.0° | 120.0° |
| C10 | N11 | H111 | 118.5° | 120.0° |
| O22 | C20 | O21 | 120.0° | 119.9° |
| O22 | C20 | C19 | 120.1° | 120.0° |
| C03 | C02 | H021 | 120.0° | 119.5° |
| C02 | C03 | H031 | 119.8° | 120.2° |
| N11 | C12 | O13 | 120.9° | 120.1° |
| N11 | C12 | C14 | 121.0° | 119.9° |
| C12 | N11 | H111 | 118.5° | 120.0° |
| O13 | C12 | C14 | 118.1° | 120.0° |
| C12 | C14 | C19 | 122.2° | 120.2° |
| C12 | C14 | C15 | 118.4° | 120.2° |
| O21 | C20 | C19 | 119.9° | 120.0° |
| C20 | O21 | H1 | 109.5° | 117.0° |
| C20 | C19 | C14 | 121.5° | 120.2° |
| C20 | C19 | C18 | 118.6° | 120.2° |
| C19 | C14 | C15 | 119.5° | 119.6° |
| C14 | C19 | C18 | 119.9° | 119.6° |
| C14 | C15 | C16 | 120.5° | 120.0° |
| C14 | C15 | H151 | 119.7° | 120.0° |
| C19 | C18 | C17 | 120.3° | 120.0° |
| C19 | C18 | H181 | 119.8° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.5° |
| C16 | C15 | H151 | 119.8° | 120.1° |
| C15 | C16 | H161 | 120.0° | 119.8° |
| C18 | C17 | C16 | 119.9° | 120.4° |
| C18 | C17 | H171 | 120.1° | 119.8° |
| C17 | C18 | H181 | 119.8° | 120.0° |
| C17 | C16 | H161 | 120.0° | 119.8° |
| C16 | C17 | H171 | 120.1° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C07 | C05 | H071 | 180.0° | 179.9° |
| C07 | C08 | C09 | H081 | 180.0° | 179.9° |
| C08 | C07 | C05 | C06 | 180.0° | 179.7° |
| C08 | C07 | C05 | C04 | 0.0° | 0.1° |
| C07 | C08 | C09 | C10 | 0.3° | 0.0° |
| C07 | C08 | C09 | H091 | 179.7° | 180.0° |
| C05 | C07 | C08 | C09 | 0.0° | 0.1° |
| C07 | C05 | C06 | C04 | 180.0° | 179.8° |
| C07 | C05 | C06 | C01 | 180.0° | 179.7° |
| C07 | C05 | C04 | C10 | 0.3° | 0.0° |
| C07 | C05 | C04 | C03 | 180.0° | 180.0° |
| C07 | C05 | C06 | H061 | 0.0° | 0.2° |
| C05 | C07 | C08 | H081 | 180.0° | 180.0° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C04 | 0.6° | 0.0° |
| C08 | C09 | C10 | N11 | 179.7° | 180.0° |
| C09 | C08 | C07 | H071 | 180.0° | 180.0° |
| C05 | C06 | C01 | H061 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.0° | 0.6° |
| C06 | C05 | C04 | C10 | 179.8° | 179.8° |
| C06 | C05 | C04 | C03 | 0.0° | 0.2° |
| C05 | C06 | C01 | H011 | 180.0° | 179.8° |
| C06 | C05 | C07 | H071 | 0.0° | 0.2° |
| C01 | C06 | C05 | C04 | 0.0° | 0.5° |
| C06 | C01 | C02 | H011 | 180.0° | 179.6° |
| C06 | C01 | C02 | C03 | 0.0° | 0.3° |
| C06 | C01 | C02 | H021 | 180.0° | 179.7° |
| C05 | C04 | C10 | C09 | 0.5° | 0.0° |
| C05 | C04 | C10 | C03 | 179.8° | 180.0° |
| C05 | C04 | C10 | N11 | 179.7° | 180.0° |
| C05 | C04 | C03 | C02 | 0.0° | 0.0° |
| C05 | C04 | C03 | H031 | 180.0° | 180.0° |
| C04 | C05 | C06 | H061 | 180.0° | 180.0° |
| C04 | C05 | C07 | H071 | 180.0° | 180.0° |
| C09 | C10 | C04 | N11 | 179.2° | 180.0° |
| C09 | C10 | C04 | C03 | 179.7° | 180.0° |
| C09 | C10 | N11 | C12 | 23.0° | 34.7° |
| C10 | C09 | C08 | H081 | 179.7° | 180.0° |
| C09 | C10 | N11 | H111 | 157.0° | 145.3° |
| C01 | C02 | C03 | C04 | 0.0° | 0.0° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | H031 | 180.0° | 179.9° |
| C02 | C01 | C06 | H061 | 180.0° | 180.0° |
| C10 | C04 | C03 | C02 | 179.8° | 180.0° |
| C04 | C10 | N11 | C12 | 157.9° | 145.3° |
| C10 | C04 | C03 | H031 | 0.2° | 0.1° |
| C04 | C10 | C09 | H091 | 179.4° | 180.0° |
| C04 | C10 | N11 | H111 | 22.1° | 34.7° |
| C03 | C04 | C10 | N11 | 0.6° | 0.0° |
| C04 | C03 | C02 | H031 | 180.0° | 179.9° |
| C04 | C03 | C02 | H021 | 180.0° | 180.0° |
| C10 | N11 | C12 | H111 | 180.0° | 180.0° |
| C10 | N11 | C12 | O13 | 0.5° | 4.2° |
| C10 | N11 | C12 | C14 | 179.8° | 175.8° |
| N11 | C10 | C09 | H091 | 0.3° | 0.0° |
| O22 | C20 | O21 | C19 | 179.9° | 180.0° |
| O22 | C20 | C19 | C14 | 97.6° | 6.3° |
| O22 | C20 | C19 | C18 | 82.3° | 174.0° |
| O22 | C20 | O21 | H1 | 0.0° | 0.0° |
| C03 | C02 | C01 | H011 | 180.0° | 179.9° |
| N11 | C12 | O13 | C14 | 179.6° | 180.0° |
| N11 | C12 | C14 | C19 | 38.1° | 124.7° |
| N11 | C12 | C14 | C15 | 142.5° | 55.0° |
| O13 | C12 | C14 | C19 | 142.3° | 55.3° |
| O13 | C12 | C14 | C15 | 37.1° | 125.0° |
| O13 | C12 | N11 | H111 | 179.5° | 175.7° |
| C12 | C14 | C19 | C20 | 0.2° | 0.0° |
| C12 | C14 | C19 | C15 | 179.4° | 179.7° |
| C12 | C14 | C19 | C18 | 179.7° | 179.7° |
| C12 | C14 | C15 | C16 | 179.9° | 180.0° |
| C12 | C14 | C15 | H151 | 0.1° | 0.0° |
| C14 | C12 | N11 | H111 | 0.1° | 4.2° |
| O21 | C20 | C19 | C14 | 82.4° | 173.7° |
| O21 | C20 | C19 | C18 | 97.6° | 6.0° |
| C20 | C19 | C14 | C18 | 179.9° | 179.7° |
| C20 | C19 | C14 | C15 | 179.6° | 179.7° |
| C20 | C19 | C18 | C17 | 179.9° | 179.7° |
| C20 | C19 | C18 | H181 | 0.2° | 0.0° |
| C19 | C20 | O21 | H1 | 180.0° | 180.0° |
| C19 | C14 | C15 | C16 | 0.5° | 0.3° |
| C14 | C19 | C18 | C17 | 0.1° | 0.6° |
| C19 | C14 | C15 | H151 | 179.5° | 179.7° |
| C14 | C19 | C18 | H181 | 179.9° | 179.7° |
| C15 | C14 | C19 | C18 | 0.3° | 0.6° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.4° | 0.0° |
| C14 | C15 | C16 | H161 | 179.5° | 180.0° |
| C19 | C18 | C17 | H181 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 0.0° | 0.3° |
| C19 | C18 | C17 | H171 | 180.0° | 179.7° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | H171 | 179.8° | 180.0° |
| C18 | C17 | C16 | H171 | 180.0° | 180.0° |
| C18 | C17 | C16 | H161 | 179.8° | 180.0° |
| C17 | C16 | C15 | H151 | 179.6° | 180.0° |
| C16 | C17 | C18 | H181 | 180.0° | 180.0° |
| H011 | C01 | C02 | H021 | 0.0° | 0.1° |
| H011 | C01 | C06 | H061 | 0.0° | 0.4° |
| H021 | C02 | C03 | H031 | 0.0° | 0.1° |
| H071 | C07 | C08 | H081 | 0.0° | 0.0° |
| H081 | C08 | C09 | H091 | 0.3° | 0.0° |
| H151 | C15 | C16 | H161 | 0.5° | 0.0° |
| H161 | C16 | C17 | H171 | 0.2° | 0.0° |
| H171 | C17 | C18 | H181 | 0.0° | 0.0° |
