E7S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C04 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | N09 | sing | 1.36Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.68Å | |
| C02 | C03 | doub | 1.38Å | 1.37Å | Aromatic |
| C02 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | N05 | sing | 1.38Å | 1.41Å | Aromatic |
| N05 | C06 | sing | 1.36Å | 1.34Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.51Å | |
| C06 | N09 | doub | 1.30Å | 1.41Å | Aromatic |
| C07 | O08 | sing | 1.43Å | 1.46Å | |
| C11 | C12 | doub | 1.37Å | 1.35Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.72Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| N05 | H5 | sing | 0.97Å | 1.00Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| O08 | H8 | sing | 0.97Å | 0.95Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C10 | N09 | 106.3° | 107.0° |
| C04 | C10 | C11 | 123.4° | 119.4° |
| C10 | C04 | C03 | 120.0° | 119.9° |
| C10 | C04 | N05 | 110.1° | 106.0° |
| N09 | C10 | C11 | 130.3° | 133.6° |
| C10 | N09 | C06 | 106.8° | 109.6° |
| C10 | C11 | C12 | 116.2° | 119.9° |
| C10 | C11 | H10 | 121.9° | 120.0° |
| C01 | C02 | C03 | 116.8° | 119.7° |
| C01 | C02 | C12 | 120.9° | 119.8° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C03 | C02 | C12 | 122.3° | 120.5° |
| C02 | C03 | C04 | 116.6° | 119.6° |
| C02 | C03 | H4 | 121.7° | 120.2° |
| C02 | C12 | C11 | 121.6° | 120.7° |
| C02 | C12 | C13 | 123.2° | 119.7° |
| C03 | C04 | N05 | 129.9° | 134.1° |
| C04 | C03 | H4 | 121.7° | 120.2° |
| C04 | N05 | C06 | 105.3° | 107.3° |
| C04 | N05 | H5 | 127.4° | 126.3° |
| N05 | C06 | C07 | 129.6° | 124.9° |
| N05 | C06 | N09 | 111.5° | 110.2° |
| C06 | N05 | H5 | 127.4° | 126.4° |
| C07 | C06 | N09 | 118.9° | 124.9° |
| C06 | C07 | O08 | 106.6° | 109.5° |
| C06 | C07 | H6 | 110.2° | 109.5° |
| C06 | C07 | H7 | 110.2° | 109.5° |
| O08 | C07 | H6 | 110.2° | 109.5° |
| O08 | C07 | H7 | 110.2° | 109.5° |
| C07 | O08 | H8 | 109.5° | 114.0° |
| C11 | C12 | C13 | 115.2° | 119.6° |
| C12 | C11 | H10 | 121.9° | 120.1° |
| C12 | C13 | H11 | 109.5° | 109.5° |
| C12 | C13 | H12 | 109.5° | 109.5° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H11 | C13 | H13 | 109.5° | 109.4° |
| H12 | C13 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C10 | N09 | C11 | 179.3° | 179.8° |
| C10 | C04 | C03 | C02 | 0.6° | 0.4° |
| C10 | C04 | C03 | N05 | 177.9° | 180.0° |
| C10 | C04 | N05 | C06 | 1.9° | 0.0° |
| C04 | C10 | N09 | C06 | 0.8° | 0.0° |
| C04 | C10 | C11 | C12 | 0.3° | 0.1° |
| C10 | C04 | C03 | H4 | 179.4° | 179.6° |
| C10 | C04 | N05 | H5 | 178.1° | 180.0° |
| C04 | C10 | C11 | H10 | 179.7° | 180.0° |
| N09 | C10 | C04 | C03 | 179.9° | 180.0° |
| N09 | C10 | C04 | N05 | 1.7° | 0.0° |
| C10 | N09 | C06 | N05 | 0.3° | 0.0° |
| C10 | N09 | C06 | C07 | 179.2° | 180.0° |
| N09 | C10 | C11 | C12 | 178.9° | 179.7° |
| N09 | C10 | C11 | H10 | 1.1° | 0.2° |
| C10 | C11 | C12 | C02 | 1.4° | 0.1° |
| C11 | C10 | C04 | C03 | 0.7° | 0.2° |
| C11 | C10 | C04 | N05 | 178.9° | 179.8° |
| C11 | C10 | N09 | C06 | 179.8° | 179.8° |
| C10 | C11 | C12 | H10 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 179.5° | 179.7° |
| C01 | C02 | C03 | C12 | 179.2° | 179.6° |
| C01 | C02 | C03 | C04 | 179.7° | 180.0° |
| C01 | C02 | C12 | C11 | 179.3° | 179.8° |
| C01 | C02 | C12 | C13 | 1.3° | 0.4° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 0.3° | 0.0° |
| C02 | C03 | C04 | H4 | 180.0° | 180.0° |
| C02 | C03 | C04 | N05 | 178.4° | 179.6° |
| C03 | C02 | C12 | C11 | 1.5° | 0.2° |
| C03 | C02 | C12 | C13 | 179.5° | 180.0° |
| C03 | C02 | C01 | H1 | 90.4° | 89.9° |
| C03 | C02 | C01 | H2 | 149.6° | 150.0° |
| C03 | C02 | C01 | H3 | 29.7° | 30.1° |
| C12 | C02 | C03 | C04 | 0.4° | 0.4° |
| C02 | C12 | C11 | C13 | 178.2° | 179.8° |
| C12 | C02 | C01 | H1 | 90.4° | 90.5° |
| C12 | C02 | C01 | H2 | 29.6° | 29.6° |
| C12 | C02 | C01 | H3 | 149.6° | 149.5° |
| C12 | C02 | C03 | H4 | 179.6° | 179.6° |
| C02 | C12 | C11 | H10 | 178.7° | 180.0° |
| C02 | C12 | C13 | H11 | 88.9° | 89.9° |
| C02 | C12 | C13 | H12 | 151.1° | 150.0° |
| C02 | C12 | C13 | H13 | 31.1° | 30.0° |
| C03 | C04 | N05 | C06 | 179.9° | 180.0° |
| C03 | C04 | N05 | H5 | 0.1° | 0.0° |
| C04 | N05 | C06 | H5 | 180.0° | 180.0° |
| C04 | N05 | C06 | C07 | 178.1° | 180.0° |
| C04 | N05 | C06 | N09 | 1.3° | 0.0° |
| N05 | C04 | C03 | H4 | 1.5° | 0.4° |
| N05 | C06 | C07 | N09 | 179.4° | 179.9° |
| N05 | C06 | C07 | O08 | 120.4° | 0.0° |
| N05 | C06 | C07 | H6 | 120.0° | 120.0° |
| N05 | C06 | C07 | H7 | 0.9° | 120.0° |
| C06 | C07 | O08 | H6 | 119.5° | 120.0° |
| C06 | C07 | O08 | H7 | 119.5° | 120.0° |
| C07 | C06 | N05 | H5 | 1.9° | 0.1° |
| C06 | C07 | H6 | H7 | 121.3° | 120.0° |
| C06 | C07 | O08 | H8 | 180.0° | 180.0° |
| N09 | C06 | C07 | O08 | 58.9° | 180.0° |
| N09 | C06 | N05 | H5 | 178.7° | 180.0° |
| N09 | C06 | C07 | H6 | 60.6° | 60.0° |
| N09 | C06 | C07 | H7 | 178.5° | 60.1° |
| O08 | C07 | H6 | H7 | 121.4° | 120.0° |
| C11 | C12 | C13 | H11 | 89.2° | 89.9° |
| C11 | C12 | C13 | H12 | 30.8° | 30.2° |
| C11 | C12 | C13 | H13 | 150.8° | 150.2° |
| C13 | C12 | C11 | H10 | 0.5° | 0.2° |
| C12 | C13 | H11 | H12 | 120.0° | 120.1° |
| C12 | C13 | H11 | H13 | 120.0° | 119.9° |
| C12 | C13 | H12 | H13 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H6 | C07 | O08 | H8 | 60.5° | 60.1° |
| H7 | C07 | O08 | H8 | 60.5° | 60.0° |
| H11 | C13 | H12 | H13 | 120.0° | 119.9° |
