SNE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | doub | 1.31Å | 1.32Å | |
| C4 | C1 | sing | 1.52Å | 1.51Å | |
| C4 | C3 | sing | 1.55Å | 1.53Å | |
| C1 | C7 | sing | 1.52Å | 1.50Å | |
| C9 | C7 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C3 | C8 | sing | 1.54Å | 1.53Å | |
| C7 | C8 | sing | 1.54Å | 1.52Å | |
| C8 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C5 | sing | 1.53Å | 1.52Å | |
| C2 | C | sing | 1.53Å | 1.52Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C4 | 122.4° | 127.6° |
| C6 | C1 | C7 | 122.5° | 127.5° |
| C1 | C6 | H1 | 120.0° | 120.0° |
| C1 | C6 | H2 | 120.0° | 119.9° |
| C1 | C4 | C3 | 104.0° | 102.9° |
| C4 | C1 | C7 | 115.1° | 104.8° |
| C1 | C4 | H7 | 110.8° | 110.7° |
| C1 | C4 | H3 | 110.8° | 110.7° |
| C4 | C3 | C8 | 107.4° | 103.8° |
| C3 | C4 | H7 | 110.8° | 110.8° |
| C4 | C3 | H8 | 110.0° | 110.6° |
| C4 | C3 | H9 | 110.0° | 110.6° |
| C3 | C4 | H3 | 110.8° | 110.7° |
| C1 | C7 | C9 | 110.0° | 118.4° |
| C1 | C7 | C8 | 102.4° | 106.8° |
| C1 | C7 | H4 | 122.9° | 117.2° |
| C7 | C9 | C8 | 59.8° | 60.4° |
| C9 | C7 | C8 | 59.8° | 59.8° |
| C9 | C7 | H4 | 122.1° | 119.8° |
| C7 | C9 | H5 | 120.0° | 117.4° |
| C7 | C9 | H6 | 120.0° | 117.5° |
| C9 | C8 | C3 | 116.8° | 118.1° |
| C9 | C8 | C7 | 60.3° | 59.8° |
| C9 | C8 | C2 | 117.8° | 119.4° |
| C8 | C9 | H5 | 120.0° | 117.5° |
| C8 | C9 | H6 | 120.0° | 117.5° |
| C3 | C8 | C7 | 110.9° | 106.1° |
| C3 | C8 | C2 | 120.3° | 117.8° |
| C8 | C3 | H8 | 110.0° | 110.5° |
| C8 | C3 | H9 | 110.0° | 110.6° |
| C7 | C8 | C2 | 115.4° | 121.6° |
| C8 | C7 | H4 | 122.3° | 121.0° |
| C8 | C2 | C5 | 111.0° | 109.5° |
| C8 | C2 | C | 111.0° | 109.4° |
| C8 | C2 | H10 | 107.9° | 109.5° |
| C5 | C2 | C | 111.0° | 109.5° |
| C5 | C2 | H10 | 107.9° | 109.5° |
| C2 | C5 | H14 | 109.5° | 109.5° |
| C2 | C5 | H15 | 109.5° | 109.5° |
| C2 | C5 | H16 | 109.5° | 109.5° |
| C | C2 | H10 | 107.9° | 109.4° |
| C2 | C | H11 | 109.5° | 109.5° |
| C2 | C | H12 | 109.5° | 109.4° |
| C2 | C | H13 | 109.5° | 109.5° |
| H1 | C6 | H2 | 120.0° | 120.0° |
| H5 | C9 | H6 | 109.4° | 115.5° |
| H7 | C4 | H3 | 109.5° | 110.8° |
| H8 | C3 | H9 | 109.5° | 110.6° |
| H11 | C | H12 | 109.4° | 109.5° |
| H11 | C | H13 | 109.4° | 109.4° |
| H12 | C | H13 | 109.5° | 109.5° |
| H14 | C5 | H15 | 109.4° | 109.4° |
| H14 | C5 | H16 | 109.5° | 109.5° |
| H15 | C5 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C4 | C7 | 180.0° | 179.8° |
| C6 | C1 | C4 | C3 | 179.2° | 141.7° |
| C6 | C1 | C7 | C9 | 115.1° | 139.7° |
| C6 | C1 | C7 | C8 | 177.3° | 156.0° |
| C1 | C6 | H1 | H2 | 180.0° | 179.8° |
| C6 | C1 | C7 | H4 | 40.3° | 16.5° |
| C6 | C1 | C4 | H7 | 61.6° | 23.3° |
| C6 | C1 | C4 | H3 | 60.1° | 100.0° |
| C1 | C4 | C3 | H7 | 119.1° | 118.4° |
| C1 | C4 | C3 | H3 | 119.1° | 118.4° |
| C4 | C1 | C7 | C9 | 64.8° | 40.5° |
| C1 | C4 | C3 | C8 | 1.6° | 37.7° |
| C4 | C1 | C7 | C8 | 2.7° | 23.8° |
| C4 | C1 | C6 | H1 | 180.0° | 179.6° |
| C4 | C1 | C6 | H2 | 0.0° | 0.6° |
| C4 | C1 | C7 | H4 | 139.8° | 163.3° |
| C1 | C4 | H7 | H3 | 122.5° | 123.2° |
| C1 | C4 | C3 | H8 | 118.1° | 80.7° |
| C1 | C4 | C3 | H9 | 121.3° | 156.4° |
| C3 | C4 | C1 | C7 | 0.7° | 38.1° |
| C4 | C3 | C8 | C9 | 63.0° | 40.6° |
| C4 | C3 | C8 | H8 | 119.7° | 118.5° |
| C4 | C3 | C8 | H9 | 119.7° | 118.6° |
| C4 | C3 | C8 | C7 | 3.4° | 23.3° |
| C4 | C3 | C8 | C2 | 142.5° | 163.5° |
| C3 | C4 | H7 | H3 | 122.5° | 123.3° |
| C4 | C3 | H8 | H9 | 120.9° | 122.8° |
| C1 | C7 | C9 | C8 | 93.0° | 93.7° |
| C1 | C7 | C9 | H4 | 155.6° | 155.6° |
| C1 | C7 | C8 | C3 | 3.6° | 0.0° |
| C1 | C7 | C8 | H4 | 142.8° | 137.7° |
| C1 | C7 | C8 | C2 | 144.9° | 138.4° |
| C7 | C1 | C6 | H1 | 0.0° | 0.1° |
| C7 | C1 | C6 | H2 | 180.0° | 179.7° |
| C1 | C7 | C9 | H5 | 16.4° | 13.9° |
| C1 | C7 | C9 | H6 | 157.6° | 158.6° |
| C7 | C1 | C4 | H7 | 118.4° | 156.5° |
| C7 | C1 | C4 | H3 | 119.8° | 80.3° |
| C7 | C9 | C8 | H5 | 109.5° | 107.6° |
| C7 | C9 | C8 | H6 | 109.4° | 107.6° |
| C9 | C7 | C8 | C3 | 109.8° | 113.6° |
| C9 | C7 | C8 | H4 | 111.1° | 108.8° |
| C7 | C9 | C8 | C2 | 104.9° | 111.6° |
| C7 | C9 | H5 | H6 | 144.8° | 145.5° |
| C9 | C8 | C3 | C2 | 154.5° | 155.8° |
| C9 | C8 | C2 | C5 | 1.6° | 109.4° |
| C9 | C8 | C2 | C | 122.3° | 130.6° |
| C8 | C9 | H5 | H6 | 144.8° | 145.5° |
| C9 | C8 | C3 | H8 | 177.3° | 159.2° |
| C9 | C8 | C3 | H9 | 56.7° | 78.0° |
| C9 | C8 | C2 | H10 | 119.7° | 10.7° |
| C3 | C8 | C7 | C2 | 141.3° | 138.4° |
| C3 | C8 | C2 | C5 | 152.6° | 46.1° |
| C3 | C8 | C2 | C | 83.4° | 73.9° |
| C3 | C8 | C7 | H4 | 139.1° | 137.7° |
| C3 | C8 | C9 | H5 | 9.5° | 14.6° |
| C3 | C8 | C9 | H6 | 150.6° | 159.4° |
| C8 | C3 | C4 | H7 | 120.8° | 156.1° |
| C8 | C3 | H8 | H9 | 120.9° | 122.9° |
| C3 | C8 | C2 | H10 | 34.6° | 166.2° |
| C8 | C3 | C4 | H3 | 117.5° | 80.6° |
| C7 | C8 | C2 | C5 | 70.0° | 180.0° |
| C7 | C8 | C2 | C | 54.0° | 60.0° |
| C7 | C8 | C3 | H8 | 116.3° | 95.3° |
| C7 | C8 | C3 | H9 | 123.1° | 141.9° |
| C7 | C8 | C2 | H10 | 172.0° | 60.0° |
| C8 | C2 | C5 | C | 124.0° | 120.0° |
| C8 | C2 | C5 | H10 | 118.0° | 120.0° |
| C8 | C2 | C | H10 | 118.0° | 120.0° |
| C2 | C8 | C7 | H4 | 2.1° | 0.7° |
| C2 | C8 | C9 | H5 | 145.7° | 140.8° |
| C2 | C8 | C9 | H6 | 4.5° | 3.9° |
| C2 | C8 | C3 | H8 | 22.8° | 45.0° |
| C2 | C8 | C3 | H9 | 97.8° | 77.9° |
| C8 | C2 | C | H11 | 180.0° | 60.0° |
| C8 | C2 | C | H12 | 60.0° | 60.0° |
| C8 | C2 | C | H13 | 60.0° | 180.0° |
| C8 | C2 | C5 | H14 | 180.0° | 60.1° |
| C8 | C2 | C5 | H15 | 60.0° | 180.0° |
| C8 | C2 | C5 | H16 | 60.0° | 60.0° |
| C5 | C2 | C | H10 | 118.1° | 120.1° |
| C5 | C2 | C | H11 | 56.0° | 180.0° |
| C5 | C2 | C | H12 | 63.9° | 59.9° |
| C5 | C2 | C | H13 | 176.0° | 60.0° |
| C2 | C5 | H14 | H15 | 120.0° | 120.0° |
| C2 | C5 | H14 | H16 | 120.0° | 120.1° |
| C2 | C5 | H15 | H16 | 120.0° | 120.0° |
| C2 | C | H11 | H12 | 120.0° | 120.0° |
| C2 | C | H11 | H13 | 120.0° | 120.0° |
| C2 | C | H12 | H13 | 120.0° | 120.0° |
| C | C2 | C5 | H14 | 56.0° | 180.0° |
| C | C2 | C5 | H15 | 176.0° | 60.0° |
| C | C2 | C5 | H16 | 64.0° | 59.9° |
| H4 | C7 | C9 | H5 | 139.2° | 141.7° |
| H4 | C7 | C9 | H6 | 1.9° | 3.1° |
| H7 | C4 | C3 | H8 | 1.1° | 37.6° |
| H7 | C4 | C3 | H9 | 119.6° | 85.2° |
| H8 | C3 | C4 | H3 | 122.8° | 160.9° |
| H9 | C3 | C4 | H3 | 2.2° | 38.1° |
| H10 | C2 | C | H11 | 62.0° | 60.0° |
| H10 | C2 | C | H12 | 178.0° | 180.0° |
| H10 | C2 | C | H13 | 58.0° | 60.0° |
| H10 | C2 | C5 | H14 | 62.0° | 60.0° |
| H10 | C2 | C5 | H15 | 58.0° | 60.0° |
| H10 | C2 | C5 | H16 | 178.0° | 179.9° |
| H11 | C | H12 | H13 | 119.9° | 120.0° |
| H14 | C5 | H15 | H16 | 120.0° | 120.0° |
