9LR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C9 | C7 | sing | 1.51Å | 1.48Å | |
| C7 | C4 | doub | 1.31Å | 1.22Å | |
| C4 | C3 | sing | 1.52Å | 1.43Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.49Å | |
| C5 | C6 | sing | 1.50Å | 1.51Å | |
| C2 | C1 | sing | 1.50Å | 1.26Å | |
| C6 | C1 | doub | 1.29Å | 1.47Å | |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C9 | 113.6° | 120.0° |
| C8 | C7 | C4 | 123.1° | 120.0° |
| C7 | C8 | H12 | 109.5° | 109.5° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C7 | C8 | H14 | 109.5° | 109.5° |
| C9 | C7 | C4 | 122.9° | 120.0° |
| C7 | C9 | H15 | 109.5° | 109.4° |
| C7 | C9 | H16 | 109.5° | 109.5° |
| C7 | C9 | H17 | 109.5° | 109.4° |
| C7 | C4 | C3 | 118.7° | 121.6° |
| C7 | C4 | C5 | 124.3° | 121.6° |
| C3 | C4 | C5 | 115.8° | 116.8° |
| C4 | C3 | C2 | 112.8° | 107.7° |
| C4 | C3 | H4 | 108.6° | 109.9° |
| C4 | C3 | H5 | 108.6° | 109.9° |
| C4 | C5 | C6 | 113.5° | 108.9° |
| C4 | C5 | H7 | 108.4° | 109.6° |
| C4 | C5 | H8 | 108.4° | 109.6° |
| C3 | C2 | C1 | 122.0° | 110.8° |
| C3 | C2 | H2 | 106.3° | 109.2° |
| C3 | C2 | H3 | 106.3° | 109.2° |
| C2 | C3 | H4 | 108.6° | 109.8° |
| C2 | C3 | H5 | 108.6° | 109.8° |
| C5 | C6 | C1 | 107.5° | 124.2° |
| C6 | C5 | H7 | 108.4° | 109.7° |
| C6 | C5 | H8 | 108.4° | 109.4° |
| C5 | C6 | H9 | 126.2° | 117.9° |
| C2 | C1 | C6 | 120.6° | 125.8° |
| C2 | C1 | C | 121.3° | 117.1° |
| C1 | C2 | H2 | 106.2° | 109.2° |
| C1 | C2 | H3 | 106.2° | 109.2° |
| C6 | C1 | C | 117.7° | 117.1° |
| C1 | C6 | H9 | 126.2° | 117.9° |
| C1 | C | H18 | 109.5° | 109.5° |
| C1 | C | H19 | 109.5° | 109.5° |
| C1 | C | H20 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.2° |
| H4 | C3 | H5 | 109.5° | 109.8° |
| H7 | C5 | H8 | 109.5° | 109.7° |
| H12 | C8 | H13 | 109.4° | 109.5° |
| H12 | C8 | H14 | 109.5° | 109.4° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.5° |
| H15 | C9 | H17 | 109.5° | 109.4° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H18 | C | H19 | 109.4° | 109.5° |
| H18 | C | H20 | 109.4° | 109.4° |
| H19 | C | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C9 | C4 | 172.5° | 180.0° |
| C8 | C7 | C4 | C3 | 36.3° | 5.5° |
| C8 | C7 | C4 | C5 | 156.2° | 174.4° |
| C7 | C8 | H12 | H13 | 120.0° | 120.0° |
| C7 | C8 | H12 | H14 | 120.0° | 120.0° |
| C7 | C8 | H13 | H14 | 120.0° | 120.0° |
| C8 | C7 | C9 | H15 | 180.0° | 114.9° |
| C8 | C7 | C9 | H16 | 60.0° | 5.1° |
| C8 | C7 | C9 | H17 | 60.0° | 125.1° |
| C9 | C7 | C4 | C3 | 151.9° | 174.5° |
| C9 | C7 | C4 | C5 | 15.5° | 5.6° |
| C9 | C7 | C8 | H12 | 180.0° | 115.0° |
| C9 | C7 | C8 | H13 | 60.0° | 5.0° |
| C9 | C7 | C8 | H14 | 60.0° | 125.0° |
| C7 | C9 | H15 | H16 | 120.0° | 120.0° |
| C7 | C9 | H15 | H17 | 120.0° | 119.9° |
| C7 | C9 | H16 | H17 | 120.0° | 120.0° |
| C7 | C4 | C3 | C5 | 168.5° | 180.0° |
| C7 | C4 | C3 | C2 | 154.8° | 120.1° |
| C7 | C4 | C5 | C6 | 161.7° | 139.2° |
| C7 | C4 | C3 | H4 | 34.3° | 0.5° |
| C7 | C4 | C3 | H5 | 84.7° | 120.4° |
| C7 | C4 | C5 | H7 | 41.1° | 19.2° |
| C7 | C4 | C5 | H8 | 77.7° | 101.2° |
| C4 | C7 | C8 | H12 | 7.5° | 65.0° |
| C4 | C7 | C8 | H13 | 127.5° | 175.0° |
| C4 | C7 | C8 | H14 | 112.5° | 55.0° |
| C4 | C7 | C9 | H15 | 7.5° | 65.1° |
| C4 | C7 | C9 | H16 | 112.5° | 174.9° |
| C4 | C7 | C9 | H17 | 127.5° | 54.9° |
| C4 | C3 | C2 | H4 | 120.5° | 119.6° |
| C4 | C3 | C2 | H5 | 120.5° | 119.6° |
| C3 | C4 | C5 | C6 | 30.5° | 40.8° |
| C4 | C3 | C2 | C1 | 39.2° | 45.3° |
| C4 | C3 | C2 | H2 | 82.5° | 75.1° |
| C4 | C3 | C2 | H3 | 160.9° | 165.5° |
| C4 | C3 | H4 | H5 | 118.5° | 121.0° |
| C3 | C4 | C5 | H7 | 151.1° | 160.8° |
| C3 | C4 | C5 | H8 | 90.0° | 78.8° |
| C5 | C4 | C3 | C2 | 13.7° | 59.9° |
| C4 | C5 | C6 | H7 | 120.6° | 120.0° |
| C4 | C5 | C6 | H8 | 120.6° | 119.7° |
| C4 | C5 | C6 | C1 | 53.2° | 10.0° |
| C5 | C4 | C3 | H4 | 134.2° | 179.5° |
| C5 | C4 | C3 | H5 | 106.8° | 59.7° |
| C4 | C5 | H7 | H8 | 118.2° | 120.4° |
| C4 | C5 | C6 | H9 | 126.8° | 169.6° |
| C3 | C2 | C1 | H2 | 121.7° | 120.4° |
| C3 | C2 | C1 | H3 | 121.7° | 120.3° |
| C3 | C2 | C1 | C6 | 14.1° | 19.5° |
| C3 | C2 | C1 | C | 158.7° | 160.3° |
| C3 | C2 | H2 | H3 | 114.4° | 119.4° |
| C2 | C3 | H4 | H5 | 118.5° | 120.8° |
| C5 | C6 | C1 | C2 | 31.9° | 0.5° |
| C5 | C6 | C1 | H9 | 180.0° | 179.6° |
| C5 | C6 | C1 | C | 155.1° | 179.2° |
| C6 | C5 | H7 | H8 | 118.1° | 120.1° |
| C2 | C1 | C6 | C | 173.0° | 179.8° |
| C1 | C2 | H2 | H3 | 114.3° | 119.3° |
| C1 | C2 | C3 | H4 | 159.7° | 164.9° |
| C1 | C2 | C3 | H5 | 81.3° | 74.4° |
| C2 | C1 | C6 | H9 | 148.1° | 179.0° |
| C2 | C1 | C | H18 | 180.0° | 90.0° |
| C2 | C1 | C | H19 | 60.0° | 150.0° |
| C2 | C1 | C | H20 | 60.0° | 30.0° |
| C6 | C1 | C2 | H2 | 107.7° | 100.9° |
| C6 | C1 | C2 | H3 | 135.8° | 139.8° |
| C1 | C6 | C5 | H7 | 173.8° | 129.9° |
| C1 | C6 | C5 | H8 | 67.4° | 109.8° |
| C6 | C1 | C | H18 | 7.0° | 90.2° |
| C6 | C1 | C | H19 | 127.0° | 29.8° |
| C6 | C1 | C | H20 | 113.0° | 149.8° |
| C | C1 | C2 | H2 | 79.6° | 79.4° |
| C | C1 | C2 | H3 | 37.0° | 40.0° |
| C | C1 | C6 | H9 | 25.0° | 1.2° |
| C1 | C | H18 | H19 | 120.0° | 120.0° |
| C1 | C | H18 | H20 | 120.0° | 120.0° |
| C1 | C | H19 | H20 | 120.0° | 120.0° |
| H2 | C2 | C3 | H4 | 38.0° | 44.5° |
| H2 | C2 | C3 | H5 | 157.0° | 165.3° |
| H3 | C2 | C3 | H4 | 78.6° | 74.9° |
| H3 | C2 | C3 | H5 | 40.4° | 45.9° |
| H7 | C5 | C6 | H9 | 6.2° | 49.7° |
| H8 | C5 | C6 | H9 | 112.6° | 70.7° |
| H12 | C8 | H13 | H14 | 120.0° | 120.0° |
| H15 | C9 | H16 | H17 | 120.0° | 120.0° |
| H18 | C | H19 | H20 | 120.0° | 120.0° |
