7SI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.55Å | 1.55Å | |
| C | C4 | sing | 1.56Å | 1.55Å | |
| O | C9 | sing | 1.36Å | 1.36Å | |
| C1 | C2 | sing | 1.56Å | 1.55Å | |
| O1 | C6 | sing | 1.36Å | 1.36Å | |
| C2 | C3 | sing | 1.57Å | 1.54Å | |
| C2 | C10 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.57Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C | H | sing | 1.09Å | 1.10Å | |
| C | HA | sing | 1.09Å | 1.10Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | C4 | 103.5° | 104.0° |
| C | C1 | C2 | 103.4° | 104.0° |
| C1 | C | H | 110.9° | 110.5° |
| C1 | C | HA | 110.9° | 110.5° |
| C | C1 | H1 | 110.9° | 110.5° |
| C | C1 | H1A | 111.0° | 110.5° |
| C | C4 | C3 | 99.8° | 100.2° |
| C | C4 | C5 | 106.7° | 104.3° |
| C4 | C | H | 110.9° | 110.5° |
| C4 | C | HA | 111.0° | 110.5° |
| C | C4 | H4 | 115.7° | 116.2° |
| O | C9 | C8 | 120.7° | 120.1° |
| O | C9 | C10 | 119.5° | 120.2° |
| C9 | O | HO | 109.5° | 114.0° |
| C1 | C2 | C3 | 100.6° | 100.3° |
| C1 | C2 | C10 | 106.5° | 104.3° |
| C2 | C1 | H1 | 111.0° | 110.5° |
| C2 | C1 | H1A | 111.0° | 110.5° |
| C1 | C2 | H2 | 115.6° | 116.2° |
| O1 | C6 | C5 | 120.9° | 120.1° |
| O1 | C6 | C7 | 119.3° | 120.2° |
| C6 | O1 | HO1 | 109.5° | 114.0° |
| C3 | C2 | C10 | 99.8° | 100.0° |
| C2 | C3 | C4 | 94.4° | 94.2° |
| C3 | C2 | H2 | 115.8° | 116.6° |
| C2 | C3 | H3 | 113.1° | 112.4° |
| C2 | C3 | H3A | 113.1° | 112.4° |
| C2 | C10 | C5 | 106.7° | 107.4° |
| C2 | C10 | C9 | 133.4° | 132.4° |
| C10 | C2 | H2 | 116.4° | 116.9° |
| C3 | C4 | C5 | 100.0° | 100.0° |
| C4 | C3 | H3 | 113.1° | 112.4° |
| C4 | C3 | H3A | 113.1° | 112.3° |
| C3 | C4 | H4 | 115.9° | 116.6° |
| C4 | C5 | C6 | 133.5° | 132.4° |
| C4 | C5 | C10 | 106.6° | 107.5° |
| C5 | C4 | H4 | 116.4° | 117.0° |
| C6 | C5 | C10 | 119.8° | 120.2° |
| C5 | C6 | C7 | 119.8° | 119.7° |
| C5 | C10 | C9 | 119.9° | 120.2° |
| C6 | C7 | C8 | 120.3° | 120.2° |
| C6 | C7 | H7 | 119.8° | 119.9° |
| C7 | C8 | C9 | 120.4° | 120.1° |
| C8 | C7 | H7 | 119.9° | 119.9° |
| C7 | C8 | H8 | 119.8° | 119.9° |
| C8 | C9 | C10 | 119.8° | 119.7° |
| C9 | C8 | H8 | 119.8° | 120.0° |
| H | C | HA | 109.5° | 110.6° |
| H1 | C1 | H1A | 109.5° | 110.6° |
| H3 | C3 | H3A | 109.5° | 112.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | C4 | H | 119.0° | 118.6° |
| C1 | C | C4 | HA | 119.0° | 118.6° |
| C | C1 | C2 | H1 | 119.0° | 118.6° |
| C | C1 | C2 | H1A | 119.0° | 118.6° |
| C | C1 | C2 | C3 | 34.6° | 35.6° |
| C | C1 | C2 | C10 | 69.0° | 67.6° |
| C1 | C | C4 | C3 | 37.2° | 35.7° |
| C1 | C | C4 | C5 | 66.4° | 67.5° |
| C1 | C | H | HA | 122.8° | 122.7° |
| C | C1 | H1 | H1A | 122.8° | 122.7° |
| C | C1 | C2 | H2 | 160.1° | 162.2° |
| C1 | C | C4 | H4 | 162.3° | 162.2° |
| C4 | C | C1 | C2 | 1.6° | 0.0° |
| C | C4 | C3 | C2 | 57.6° | 56.2° |
| C | C4 | C3 | C5 | 109.1° | 106.6° |
| C | C4 | C3 | H4 | 124.9° | 126.3° |
| C | C4 | C5 | H4 | 130.8° | 129.8° |
| C | C4 | C5 | C6 | 110.1° | 110.0° |
| C | C4 | C5 | C10 | 70.5° | 70.0° |
| C4 | C | H | HA | 122.8° | 122.7° |
| C4 | C | C1 | H1 | 120.7° | 118.6° |
| C4 | C | C1 | H1A | 117.4° | 118.6° |
| C | C4 | C3 | H3 | 59.8° | 60.1° |
| C | C4 | C3 | H3A | 175.0° | 172.4° |
| O | C9 | C10 | C2 | 2.2° | 0.0° |
| O | C9 | C10 | C5 | 177.5° | 180.0° |
| O | C9 | C8 | C7 | 177.3° | 180.0° |
| O | C9 | C8 | C10 | 178.2° | 179.9° |
| O | C9 | C8 | H8 | 2.7° | 0.0° |
| C1 | C2 | C3 | C10 | 108.9° | 106.6° |
| C1 | C2 | C3 | H2 | 125.3° | 126.4° |
| C1 | C2 | C10 | H2 | 130.5° | 129.8° |
| C1 | C2 | C3 | C4 | 56.8° | 56.2° |
| C1 | C2 | C10 | C5 | 69.4° | 70.0° |
| C1 | C2 | C10 | C9 | 110.4° | 109.9° |
| C2 | C1 | C | H | 120.7° | 118.6° |
| C2 | C1 | C | HA | 117.4° | 118.6° |
| C2 | C1 | H1 | H1A | 122.8° | 122.7° |
| C1 | C2 | C3 | H3 | 60.6° | 60.1° |
| C1 | C2 | C3 | H3A | 174.2° | 172.4° |
| O1 | C6 | C5 | C4 | 4.0° | 0.1° |
| O1 | C6 | C5 | C7 | 178.0° | 179.9° |
| O1 | C6 | C5 | C10 | 176.7° | 179.9° |
| O1 | C6 | C7 | C8 | 177.0° | 179.9° |
| O1 | C6 | C7 | H7 | 3.0° | 0.1° |
| C3 | C2 | C10 | H2 | 125.4° | 126.8° |
| C2 | C3 | C4 | H3 | 117.4° | 116.3° |
| C2 | C3 | C4 | H3A | 117.4° | 116.3° |
| C2 | C3 | C4 | C5 | 51.5° | 50.5° |
| C3 | C2 | C10 | C5 | 34.8° | 33.4° |
| C3 | C2 | C10 | C9 | 145.5° | 146.7° |
| C3 | C2 | C1 | H1 | 84.4° | 83.0° |
| C3 | C2 | C1 | H1A | 153.7° | 154.3° |
| C2 | C3 | H3 | H3A | 127.1° | 127.6° |
| C2 | C3 | C4 | H4 | 177.5° | 177.5° |
| C10 | C2 | C3 | C4 | 52.1° | 50.5° |
| C2 | C10 | C5 | C4 | 1.1° | 0.0° |
| C2 | C10 | C5 | C6 | 179.4° | 180.0° |
| C2 | C10 | C5 | C9 | 179.8° | 180.0° |
| C2 | C10 | C9 | C8 | 179.6° | 180.0° |
| C10 | C2 | C1 | H1 | 172.0° | 173.8° |
| C10 | C2 | C1 | H1A | 50.0° | 51.1° |
| C10 | C2 | C3 | H3 | 169.6° | 166.8° |
| C10 | C2 | C3 | H3A | 65.2° | 65.8° |
| C3 | C4 | C5 | H4 | 125.7° | 126.8° |
| C3 | C4 | C5 | C6 | 146.4° | 146.6° |
| C3 | C4 | C5 | C10 | 32.9° | 33.4° |
| C3 | C4 | C | H | 156.3° | 154.3° |
| C3 | C4 | C | HA | 81.8° | 83.0° |
| C4 | C3 | C2 | H2 | 177.9° | 177.4° |
| C4 | C3 | H3 | H3A | 127.0° | 127.6° |
| C4 | C5 | C6 | C10 | 179.3° | 180.0° |
| C4 | C5 | C6 | C7 | 178.0° | 180.0° |
| C4 | C5 | C10 | C9 | 179.1° | 180.0° |
| C5 | C4 | C | H | 52.6° | 51.1° |
| C5 | C4 | C | HA | 174.5° | 173.9° |
| C5 | C4 | C3 | H3 | 168.9° | 166.7° |
| C5 | C4 | C3 | H3A | 65.9° | 65.8° |
| C5 | C6 | C7 | C8 | 1.1° | 0.0° |
| C6 | C5 | C10 | C9 | 0.4° | 0.1° |
| C5 | C6 | O1 | HO1 | 180.0° | 90.1° |
| C6 | C5 | C4 | H4 | 20.7° | 19.8° |
| C5 | C6 | C7 | H7 | 178.9° | 180.0° |
| C10 | C5 | C6 | C7 | 1.3° | 0.0° |
| C5 | C10 | C9 | C8 | 0.7° | 0.1° |
| C5 | C10 | C2 | H2 | 160.1° | 160.2° |
| C10 | C5 | C4 | H4 | 158.6° | 160.2° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.0° | 0.1° |
| C7 | C6 | O1 | HO1 | 2.0° | 90.0° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.9° | 0.1° |
| C8 | C9 | O | HO | 180.0° | 89.9° |
| C9 | C8 | C7 | H7 | 180.0° | 180.0° |
| C10 | C9 | O | HO | 1.8° | 90.0° |
| C9 | C10 | C2 | H2 | 20.1° | 19.9° |
| C10 | C9 | C8 | H8 | 179.1° | 180.0° |
| H | C | C1 | H1 | 120.3° | 122.8° |
| H | C | C1 | H1A | 1.6° | 0.0° |
| H | C | C4 | H4 | 78.7° | 79.2° |
| HA | C | C1 | H1 | 1.6° | 0.1° |
| HA | C | C1 | H1A | 123.6° | 122.7° |
| HA | C | C4 | H4 | 43.3° | 43.6° |
| H1 | C1 | C2 | H2 | 41.1° | 43.7° |
| H1A | C1 | C2 | H2 | 80.9° | 79.1° |
| H2 | C2 | C3 | H3 | 64.7° | 66.3° |
| H2 | C2 | C3 | H3A | 60.5° | 61.2° |
| H3 | C3 | C4 | H4 | 65.1° | 66.2° |
| H3A | C3 | C4 | H4 | 60.1° | 61.3° |
| H7 | C7 | C8 | H8 | 0.0° | 0.0° |
