7SE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | doub | 1.36Å | 1.36Å | Aromatic |
| C11 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C6 | C7 | sing | 1.47Å | 1.40Å | Aromatic |
| N3 | N2 | sing | 1.29Å | 1.33Å | Aromatic |
| C9 | C8 | doub | 1.36Å | 1.36Å | Aromatic |
| O2 | C4 | doub | 1.21Å | 1.21Å | |
| C7 | C8 | sing | 1.41Å | 1.42Å | Aromatic |
| C7 | N4 | doub | 1.32Å | 1.35Å | Aromatic |
| C4 | N1 | sing | 1.34Å | 1.38Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| N1 | C3 | sing | 1.34Å | 1.38Å | |
| N2 | C5 | sing | 1.46Å | 1.46Å | |
| N2 | N4 | sing | 1.29Å | 1.33Å | Aromatic |
| C3 | O1 | doub | 1.21Å | 1.22Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | C5 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C6 | 117.0° | 119.5° |
| C11 | C10 | C9 | 122.1° | 121.7° |
| C11 | C10 | H4 | 119.0° | 119.2° |
| C10 | C11 | H10 | 121.5° | 120.2° |
| C11 | C6 | N3 | 131.2° | 136.5° |
| C11 | C6 | C7 | 120.9° | 118.7° |
| C6 | C11 | H10 | 121.5° | 120.2° |
| C10 | C9 | C8 | 121.9° | 121.7° |
| C9 | C10 | H4 | 119.0° | 119.1° |
| C10 | C9 | H9 | 119.0° | 119.1° |
| N3 | C6 | C7 | 107.9° | 104.7° |
| C6 | N3 | N2 | 105.1° | 108.9° |
| C6 | C7 | C8 | 121.1° | 118.8° |
| C6 | C7 | N4 | 107.8° | 104.7° |
| N3 | N2 | C5 | 123.4° | 123.6° |
| N3 | N2 | N4 | 113.7° | 112.8° |
| C9 | C8 | C7 | 117.0° | 119.5° |
| C9 | C8 | H3 | 121.5° | 120.2° |
| C8 | C9 | H9 | 119.1° | 119.2° |
| O2 | C4 | N1 | 120.7° | 119.4° |
| O2 | C4 | C5 | 121.7° | 119.4° |
| C8 | C7 | N4 | 131.0° | 136.5° |
| C7 | C8 | H3 | 121.5° | 120.3° |
| C7 | N4 | N2 | 105.4° | 108.9° |
| N1 | C4 | C5 | 117.6° | 121.2° |
| C4 | N1 | C3 | 126.7° | 122.6° |
| C4 | N1 | H1 | 116.6° | 118.7° |
| C4 | C5 | N2 | 110.4° | 109.5° |
| C4 | C5 | C1 | 110.8° | 109.2° |
| C4 | C5 | H2 | 107.6° | 109.5° |
| N1 | C3 | O1 | 120.4° | 119.3° |
| N1 | C3 | C2 | 116.9° | 121.3° |
| C3 | N1 | H1 | 116.6° | 118.7° |
| C5 | N2 | N4 | 122.9° | 123.6° |
| N2 | C5 | C1 | 112.0° | 109.6° |
| N2 | C5 | H2 | 108.3° | 109.5° |
| O1 | C3 | C2 | 122.8° | 119.4° |
| C3 | C2 | C1 | 113.5° | 109.1° |
| C3 | C2 | H7 | 108.5° | 109.5° |
| C3 | C2 | H8 | 108.5° | 109.6° |
| C5 | C1 | C2 | 110.6° | 108.6° |
| C1 | C5 | H2 | 107.5° | 109.6° |
| C5 | C1 | H5 | 109.2° | 109.6° |
| C5 | C1 | H6 | 109.2° | 109.6° |
| C2 | C1 | H5 | 109.2° | 109.6° |
| C2 | C1 | H6 | 109.2° | 109.6° |
| C1 | C2 | H7 | 108.4° | 109.5° |
| C1 | C2 | H8 | 108.5° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.8° |
| H7 | C2 | H8 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C6 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | H4 | 180.0° | 179.9° |
| C10 | C11 | C6 | N3 | 179.7° | 180.0° |
| C10 | C11 | C6 | C7 | 0.0° | 0.0° |
| C11 | C10 | C9 | C8 | 0.2° | 0.1° |
| C11 | C10 | C9 | H9 | 179.8° | 180.0° |
| C6 | C11 | C10 | C9 | 0.2° | 0.1° |
| C11 | C6 | N3 | C7 | 179.7° | 180.0° |
| C11 | C6 | N3 | N2 | 179.6° | 180.0° |
| C11 | C6 | C7 | C8 | 0.0° | 0.0° |
| C11 | C6 | C7 | N4 | 179.5° | 180.0° |
| C6 | C11 | C10 | H4 | 179.8° | 180.0° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.2° | 0.1° |
| C10 | C9 | C8 | H3 | 179.8° | 180.0° |
| C9 | C10 | C11 | H10 | 179.8° | 180.0° |
| N3 | C6 | C7 | C8 | 179.8° | 180.0° |
| N3 | C6 | C7 | N4 | 0.7° | 0.0° |
| C6 | N3 | N2 | C5 | 179.4° | 179.9° |
| C6 | N3 | N2 | N4 | 0.3° | 0.0° |
| N3 | C6 | C11 | H10 | 0.3° | 0.0° |
| C7 | C6 | N3 | N2 | 0.6° | 0.0° |
| C6 | C7 | C8 | C9 | 0.0° | 0.1° |
| C6 | C7 | C8 | N4 | 179.3° | 180.0° |
| C6 | C7 | N4 | N2 | 0.5° | 0.0° |
| C6 | C7 | C8 | H3 | 179.9° | 180.0° |
| C7 | C6 | C11 | H10 | 180.0° | 180.0° |
| N3 | N2 | N4 | C7 | 0.1° | 0.0° |
| N3 | N2 | C5 | C4 | 58.3° | 120.0° |
| N3 | N2 | C5 | N4 | 179.0° | 179.9° |
| N3 | N2 | C5 | C1 | 65.7° | 120.2° |
| N3 | N2 | C5 | H2 | 175.9° | 0.0° |
| C9 | C8 | C7 | H3 | 180.0° | 179.9° |
| C9 | C8 | C7 | N4 | 179.3° | 180.0° |
| C8 | C9 | C10 | H4 | 179.7° | 180.0° |
| O2 | C4 | N1 | C5 | 179.5° | 179.9° |
| O2 | C4 | N1 | C3 | 179.3° | 179.4° |
| O2 | C4 | C5 | N2 | 26.7° | 30.9° |
| O2 | C4 | C5 | C1 | 151.4° | 150.9° |
| O2 | C4 | N1 | H1 | 0.7° | 0.2° |
| O2 | C4 | C5 | H2 | 91.3° | 89.1° |
| C8 | C7 | N4 | N2 | 179.9° | 179.9° |
| C7 | C8 | C9 | H9 | 179.9° | 180.0° |
| C7 | N4 | N2 | C5 | 178.9° | 179.9° |
| N4 | C7 | C8 | H3 | 0.8° | 0.1° |
| C4 | N1 | C3 | H1 | 180.0° | 179.7° |
| N1 | C4 | C5 | N2 | 153.8° | 149.1° |
| C4 | N1 | C3 | O1 | 175.2° | 179.2° |
| C4 | N1 | C3 | C2 | 3.7° | 0.6° |
| N1 | C4 | C5 | C1 | 29.1° | 29.1° |
| N1 | C4 | C5 | H2 | 88.2° | 90.8° |
| C5 | C4 | N1 | C3 | 0.1° | 0.6° |
| C4 | C5 | N2 | C1 | 124.1° | 119.7° |
| C4 | C5 | N2 | H2 | 117.5° | 120.1° |
| C4 | C5 | N2 | N4 | 120.6° | 60.1° |
| C4 | C5 | C1 | H2 | 117.3° | 119.9° |
| C4 | C5 | C1 | C2 | 53.5° | 55.6° |
| C5 | C4 | N1 | H1 | 179.8° | 179.7° |
| C4 | C5 | C1 | H5 | 173.7° | 175.3° |
| C4 | C5 | C1 | H6 | 66.7° | 64.0° |
| N1 | C3 | O1 | C2 | 178.8° | 179.8° |
| N1 | C3 | C2 | C1 | 22.7° | 29.1° |
| N1 | C3 | C2 | H7 | 143.3° | 90.7° |
| N1 | C3 | C2 | H8 | 97.9° | 149.0° |
| N2 | C5 | C1 | H2 | 118.8° | 120.2° |
| N2 | C5 | C1 | C2 | 177.3° | 175.5° |
| N2 | C5 | C1 | H5 | 62.5° | 64.8° |
| N2 | C5 | C1 | H6 | 57.1° | 55.8° |
| N4 | N2 | C5 | C1 | 115.3° | 59.6° |
| N4 | N2 | C5 | H2 | 3.1° | 179.8° |
| O1 | C3 | C2 | C1 | 158.5° | 150.6° |
| O1 | C3 | N1 | H1 | 4.8° | 0.5° |
| O1 | C3 | C2 | H7 | 37.9° | 89.5° |
| O1 | C3 | C2 | H8 | 80.9° | 30.7° |
| C3 | C2 | C1 | C5 | 51.1° | 55.6° |
| C3 | C2 | C1 | H7 | 120.6° | 119.9° |
| C3 | C2 | C1 | H8 | 120.6° | 120.0° |
| C2 | C3 | N1 | H1 | 176.3° | 179.7° |
| C3 | C2 | C1 | H5 | 171.3° | 175.3° |
| C3 | C2 | C1 | H6 | 69.0° | 64.1° |
| C3 | C2 | H7 | H8 | 118.2° | 120.2° |
| C5 | C1 | C2 | H5 | 120.2° | 119.7° |
| C5 | C1 | C2 | H6 | 120.1° | 119.7° |
| C5 | C1 | H5 | H6 | 119.4° | 120.5° |
| C5 | C1 | C2 | H7 | 171.7° | 64.3° |
| C5 | C1 | C2 | H8 | 69.5° | 175.6° |
| C2 | C1 | C5 | H2 | 63.9° | 64.3° |
| C2 | C1 | H5 | H6 | 119.5° | 120.5° |
| C1 | C2 | H7 | H8 | 118.2° | 120.1° |
| H2 | C5 | C1 | H5 | 56.3° | 55.4° |
| H2 | C5 | C1 | H6 | 176.0° | 176.0° |
| H3 | C8 | C9 | H9 | 0.2° | 0.0° |
| H4 | C10 | C9 | H9 | 0.2° | 0.1° |
| H4 | C10 | C11 | H10 | 0.2° | 0.1° |
| H5 | C1 | C2 | H7 | 68.1° | 55.4° |
| H5 | C1 | C2 | H8 | 50.7° | 64.7° |
| H6 | C1 | C2 | H7 | 51.6° | 176.0° |
| H6 | C1 | C2 | H8 | 170.4° | 55.9° |
