SU7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.45Å | |
| C10 | N | sing | 1.47Å | 1.50Å | |
| C10 | C11 | sing | 1.53Å | 1.48Å | |
| C7 | C11 | sing | 1.53Å | 1.56Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| C9 | N | sing | 1.47Å | 1.48Å | |
| N | C12 | sing | 1.35Å | 1.39Å | |
| C3 | C6 | sing | 1.51Å | 1.52Å | |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | O | doub | 1.21Å | 1.24Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | sing | 1.47Å | 1.44Å | |
| C14 | N1 | trip | 1.14Å | 1.16Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C | 120.8° | 120.0° |
| C5 | C4 | C3 | 119.6° | 120.0° |
| C5 | C4 | H1 | 120.2° | 120.0° |
| C4 | C5 | H2 | 119.6° | 120.0° |
| C5 | C | C1 | 119.8° | 120.0° |
| C | C5 | H2 | 119.6° | 120.0° |
| C5 | C | H12 | 120.1° | 120.0° |
| C4 | C3 | C6 | 119.3° | 120.0° |
| C4 | C3 | C2 | 119.3° | 120.0° |
| C3 | C4 | H1 | 120.2° | 120.0° |
| C | C1 | C2 | 119.1° | 120.0° |
| C1 | C | H12 | 120.1° | 120.0° |
| C | C1 | H13 | 120.4° | 120.0° |
| C7 | C8 | C9 | 117.1° | 109.3° |
| C8 | C7 | C11 | 112.6° | 109.6° |
| C8 | C7 | C6 | 109.6° | 109.4° |
| C8 | C7 | H5 | 108.4° | 109.5° |
| C7 | C8 | H6 | 107.5° | 109.5° |
| C7 | C8 | H7 | 107.5° | 109.5° |
| C8 | C9 | N | 119.2° | 108.8° |
| C9 | C8 | H6 | 107.5° | 109.5° |
| C9 | C8 | H7 | 107.5° | 109.5° |
| C8 | C9 | H17 | 107.0° | 109.6° |
| C8 | C9 | H18 | 107.0° | 109.6° |
| N | C10 | C11 | 110.1° | 108.8° |
| C10 | N | C9 | 114.7° | 118.7° |
| C10 | N | C12 | 122.0° | 120.6° |
| N | C10 | H8 | 109.3° | 109.6° |
| N | C10 | H9 | 109.3° | 109.6° |
| C10 | C11 | C7 | 108.3° | 109.3° |
| C11 | C10 | H8 | 109.3° | 109.6° |
| C11 | C10 | H9 | 109.3° | 109.6° |
| C10 | C11 | H14 | 109.8° | 109.5° |
| C10 | C11 | H15 | 109.7° | 109.5° |
| C11 | C7 | C6 | 109.3° | 109.4° |
| C11 | C7 | H5 | 108.4° | 109.5° |
| C7 | C11 | H14 | 109.7° | 109.5° |
| C7 | C11 | H15 | 109.8° | 109.6° |
| C7 | C6 | C3 | 109.9° | 109.5° |
| C7 | C6 | H3 | 109.4° | 109.5° |
| C7 | C6 | H4 | 109.4° | 109.4° |
| C6 | C7 | H5 | 108.4° | 109.4° |
| C9 | N | C12 | 112.6° | 120.6° |
| N | C9 | H17 | 107.0° | 109.6° |
| N | C9 | H18 | 107.0° | 109.5° |
| N | C12 | O | 118.6° | 120.0° |
| N | C12 | C13 | 121.3° | 120.0° |
| C6 | C3 | C2 | 121.4° | 120.0° |
| C3 | C6 | H3 | 109.4° | 109.5° |
| C3 | C6 | H4 | 109.4° | 109.5° |
| C3 | C2 | C1 | 121.4° | 120.0° |
| C3 | C2 | H16 | 119.3° | 120.0° |
| C2 | C1 | H13 | 120.5° | 120.0° |
| C1 | C2 | H16 | 119.3° | 120.0° |
| O | C12 | C13 | 120.1° | 120.0° |
| C12 | C13 | C14 | 108.0° | 109.5° |
| C12 | C13 | H10 | 109.8° | 109.5° |
| C12 | C13 | H11 | 109.9° | 109.4° |
| C13 | C14 | N1 | 176.7° | 179.9° |
| C14 | C13 | H10 | 109.9° | 109.5° |
| C14 | C13 | H11 | 109.8° | 109.4° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.7° |
| H10 | C13 | H11 | 109.5° | 109.4° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C4 | C5 | C | C1 | 0.2° | 0.1° |
| C5 | C4 | C3 | C6 | 179.4° | 179.7° |
| C5 | C4 | C3 | C2 | 0.8° | 0.1° |
| C4 | C5 | C | H12 | 179.8° | 179.9° |
| C | C5 | C4 | C3 | 0.8° | 0.1° |
| C5 | C | C1 | H12 | 180.0° | 180.0° |
| C5 | C | C1 | C2 | 0.4° | 0.1° |
| C | C5 | C4 | H1 | 179.2° | 179.7° |
| C5 | C | C1 | H13 | 179.6° | 180.0° |
| C4 | C3 | C6 | C7 | 68.5° | 90.0° |
| C4 | C3 | C6 | C2 | 179.8° | 179.6° |
| C4 | C3 | C2 | C1 | 0.3° | 0.2° |
| C3 | C4 | C5 | H2 | 179.2° | 180.0° |
| C4 | C3 | C6 | H3 | 171.5° | 30.0° |
| C4 | C3 | C6 | H4 | 51.6° | 150.0° |
| C4 | C3 | C2 | H16 | 179.7° | 180.0° |
| C | C1 | C2 | C3 | 0.3° | 0.2° |
| C | C1 | C2 | H13 | 180.0° | 180.0° |
| C1 | C | C5 | H2 | 179.8° | 180.0° |
| C | C1 | C2 | H16 | 179.7° | 180.0° |
| C7 | C8 | C9 | H6 | 121.1° | 119.9° |
| C7 | C8 | C9 | H7 | 121.1° | 120.0° |
| C8 | C7 | C11 | C10 | 43.0° | 61.4° |
| C8 | C7 | C11 | C6 | 122.1° | 120.0° |
| C8 | C7 | C11 | H5 | 119.9° | 120.1° |
| C8 | C7 | C6 | H5 | 118.2° | 120.0° |
| C7 | C8 | C9 | N | 31.3° | 54.6° |
| C8 | C7 | C6 | C3 | 50.6° | 64.9° |
| C8 | C7 | C6 | H3 | 69.5° | 55.1° |
| C8 | C7 | C6 | H4 | 170.6° | 175.1° |
| C7 | C8 | H6 | H7 | 116.5° | 120.0° |
| C8 | C7 | C11 | H14 | 76.9° | 178.7° |
| C8 | C7 | C11 | H15 | 162.8° | 58.6° |
| C7 | C8 | C9 | H17 | 90.0° | 174.4° |
| C7 | C8 | C9 | H18 | 152.7° | 65.1° |
| C8 | C9 | N | C10 | 6.7° | 53.6° |
| C9 | C8 | C7 | C11 | 5.3° | 61.4° |
| C9 | C8 | C7 | C6 | 116.6° | 178.6° |
| C8 | C9 | N | H17 | 121.4° | 119.8° |
| C8 | C9 | N | H18 | 121.4° | 119.8° |
| C8 | C9 | N | C12 | 152.1° | 126.4° |
| C9 | C8 | C7 | H5 | 125.2° | 58.7° |
| C9 | C8 | H6 | H7 | 116.5° | 120.1° |
| C8 | C9 | H17 | H18 | 115.6° | 120.4° |
| N | C10 | C11 | H8 | 120.1° | 119.8° |
| N | C10 | C11 | H9 | 120.1° | 119.8° |
| N | C10 | C11 | C7 | 68.5° | 54.6° |
| C10 | N | C9 | C12 | 145.4° | 179.9° |
| C10 | N | C12 | O | 170.8° | 0.0° |
| C10 | N | C12 | C13 | 8.3° | 180.0° |
| N | C10 | H8 | H9 | 119.7° | 120.3° |
| N | C10 | C11 | H14 | 51.3° | 174.6° |
| N | C10 | C11 | H15 | 171.6° | 65.4° |
| C10 | N | C9 | H17 | 114.7° | 173.4° |
| C10 | N | C9 | H18 | 128.1° | 66.2° |
| C10 | C11 | C7 | H14 | 119.8° | 119.9° |
| C10 | C11 | C7 | H15 | 119.8° | 119.9° |
| C10 | C11 | C7 | C6 | 165.0° | 178.6° |
| C11 | C10 | N | C9 | 44.0° | 53.6° |
| C11 | C10 | N | C12 | 97.8° | 126.4° |
| C10 | C11 | C7 | H5 | 77.0° | 58.7° |
| C11 | C10 | H8 | H9 | 119.7° | 120.4° |
| C10 | C11 | H14 | H15 | 120.5° | 120.0° |
| C11 | C7 | C6 | H5 | 117.9° | 120.0° |
| C11 | C7 | C6 | C3 | 174.4° | 175.0° |
| C11 | C7 | C6 | H3 | 54.4° | 64.9° |
| C11 | C7 | C6 | H4 | 65.5° | 55.0° |
| C11 | C7 | C8 | H6 | 126.4° | 58.6° |
| C11 | C7 | C8 | H7 | 115.8° | 178.6° |
| C7 | C11 | C10 | H8 | 171.4° | 174.4° |
| C7 | C11 | C10 | H9 | 51.6° | 65.2° |
| C7 | C11 | H14 | H15 | 120.5° | 120.2° |
| C7 | C6 | C3 | H3 | 120.1° | 120.0° |
| C7 | C6 | C3 | H4 | 120.1° | 120.0° |
| C7 | C6 | C3 | C2 | 111.3° | 90.4° |
| C7 | C6 | H3 | H4 | 119.8° | 120.0° |
| C6 | C7 | C8 | H6 | 4.5° | 61.4° |
| C6 | C7 | C8 | H7 | 122.3° | 58.6° |
| C6 | C7 | C11 | H14 | 45.2° | 58.7° |
| C6 | C7 | C11 | H15 | 75.1° | 61.4° |
| C9 | N | C12 | O | 28.2° | 179.9° |
| C9 | N | C12 | C13 | 150.8° | 0.0° |
| N | C9 | C8 | H6 | 152.4° | 65.3° |
| N | C9 | C8 | H7 | 89.8° | 174.6° |
| C9 | N | C10 | H8 | 164.1° | 173.4° |
| C9 | N | C10 | H9 | 76.1° | 66.2° |
| N | C9 | H17 | H18 | 115.6° | 120.3° |
| N | C12 | O | C13 | 179.1° | 179.9° |
| N | C12 | C13 | C14 | 178.9° | 180.0° |
| C12 | N | C10 | H8 | 22.3° | 6.6° |
| C12 | N | C10 | H9 | 142.1° | 113.8° |
| N | C12 | C13 | H10 | 59.1° | 60.0° |
| N | C12 | C13 | H11 | 61.4° | 60.0° |
| C12 | N | C9 | H17 | 30.8° | 6.6° |
| C12 | N | C9 | H18 | 86.5° | 113.8° |
| C6 | C3 | C2 | C1 | 179.9° | 179.8° |
| C6 | C3 | C4 | H1 | 0.6° | 0.0° |
| C3 | C6 | H3 | H4 | 119.8° | 120.0° |
| C3 | C6 | C7 | H5 | 67.6° | 55.0° |
| C6 | C3 | C2 | H16 | 0.1° | 0.4° |
| C3 | C2 | C1 | H16 | 180.0° | 179.8° |
| C2 | C3 | C4 | H1 | 179.2° | 179.6° |
| C2 | C3 | C6 | H3 | 8.8° | 149.6° |
| C2 | C3 | C6 | H4 | 128.7° | 29.6° |
| C3 | C2 | C1 | H13 | 179.7° | 179.9° |
| C2 | C1 | C | H12 | 179.7° | 180.0° |
| O | C12 | C13 | C14 | 2.1° | 0.1° |
| O | C12 | C13 | H10 | 121.9° | 120.0° |
| O | C12 | C13 | H11 | 117.7° | 120.1° |
| C12 | C13 | C14 | H10 | 119.8° | 120.1° |
| C12 | C13 | C14 | H11 | 119.8° | 120.0° |
| C12 | C13 | C14 | N1 | 60.3° | 47.3° |
| C12 | C13 | H10 | H11 | 120.7° | 120.0° |
| C14 | C13 | H10 | H11 | 120.7° | 120.0° |
| N1 | C14 | C13 | H10 | 59.4° | 72.8° |
| N1 | C14 | C13 | H11 | 179.9° | 167.2° |
| H1 | C4 | C5 | H2 | 0.8° | 0.4° |
| H2 | C5 | C | H12 | 0.3° | 0.0° |
| H3 | C6 | C7 | H5 | 172.3° | 175.1° |
| H4 | C6 | C7 | H5 | 52.5° | 65.0° |
| H5 | C7 | C8 | H6 | 113.7° | 178.7° |
| H5 | C7 | C8 | H7 | 4.1° | 61.3° |
| H5 | C7 | C11 | H14 | 163.2° | 61.2° |
| H5 | C7 | C11 | H15 | 42.8° | 178.6° |
| H6 | C8 | C9 | H17 | 31.0° | 54.5° |
| H6 | C8 | C9 | H18 | 86.2° | 174.9° |
| H7 | C8 | C9 | H17 | 148.8° | 65.6° |
| H7 | C8 | C9 | H18 | 31.6° | 54.8° |
| H8 | C10 | C11 | H14 | 68.8° | 65.6° |
| H8 | C10 | C11 | H15 | 51.5° | 54.4° |
| H9 | C10 | C11 | H14 | 171.4° | 54.8° |
| H9 | C10 | C11 | H15 | 68.3° | 174.8° |
| H12 | C | C1 | H13 | 0.3° | 0.0° |
| H13 | C1 | C2 | H16 | 0.3° | 0.0° |
