L7X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | doub | 1.31Å | 1.53Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C3 | sing | 1.51Å | 1.49Å | |
| C3 | C2 | doub | 1.31Å | 1.50Å | |
| C3 | BR1 | sing | 1.89Å | 1.84Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| O2A | PA | doub | 1.48Å | 1.59Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| O1 | PA | sing | 1.61Å | 1.63Å | |
| O1A | PA | sing | 1.61Å | 1.47Å | |
| PA | O3A | sing | 1.61Å | 1.63Å | |
| O3B | PB | doub | 1.48Å | 1.52Å | |
| O3A | PB | sing | 1.61Å | 1.66Å | |
| PB | O1B | sing | 1.61Å | 1.60Å | |
| PB | O2B | sing | 1.61Å | 1.61Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| O2B | H9 | sing | 0.97Å | 0.95Å | |
| O1B | H10 | sing | 0.97Å | 0.95Å | |
| O1A | H11 | sing | 0.97Å | 0.95Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C8 | C9 | 119.3° | 120.0° |
| C10 | C8 | C7 | 116.5° | 120.0° |
| C8 | C10 | H6 | 109.5° | 109.5° |
| C8 | C10 | H7 | 109.5° | 109.5° |
| C8 | C10 | H8 | 109.5° | 109.4° |
| C9 | C8 | C7 | 124.1° | 120.0° |
| C8 | C9 | H15 | 109.5° | 109.6° |
| C8 | C9 | H16 | 109.5° | 109.5° |
| C8 | C9 | H17 | 109.5° | 109.4° |
| C8 | C7 | C6 | 122.6° | 120.0° |
| C8 | C7 | H5 | 118.7° | 120.0° |
| C7 | C6 | C5 | 103.8° | 109.5° |
| C7 | C6 | H3 | 110.9° | 109.5° |
| C7 | C6 | H4 | 110.9° | 109.5° |
| C6 | C7 | H5 | 118.7° | 120.0° |
| C6 | C5 | C3 | 109.0° | 109.5° |
| C6 | C5 | H1 | 109.6° | 109.5° |
| C6 | C5 | H2 | 109.6° | 109.5° |
| C5 | C6 | H3 | 110.9° | 109.5° |
| C5 | C6 | H4 | 110.9° | 109.4° |
| C5 | C3 | C2 | 124.2° | 120.0° |
| C5 | C3 | BR1 | 116.7° | 120.0° |
| C3 | C5 | H1 | 109.6° | 109.5° |
| C3 | C5 | H2 | 109.6° | 109.4° |
| C2 | C3 | BR1 | 118.8° | 120.0° |
| C3 | C2 | C1 | 123.8° | 120.0° |
| C3 | C2 | H14 | 118.1° | 120.0° |
| C2 | C1 | O1 | 104.4° | 109.4° |
| C2 | C1 | H12 | 110.7° | 109.5° |
| C2 | C1 | H13 | 110.7° | 109.5° |
| C1 | C2 | H14 | 118.1° | 120.0° |
| O2A | PA | O1 | 109.3° | 109.5° |
| O2A | PA | O1A | 118.4° | 109.4° |
| O2A | PA | O3A | 103.5° | 109.5° |
| C1 | O1 | PA | 123.7° | 123.0° |
| O1 | C1 | H12 | 110.7° | 109.5° |
| O1 | C1 | H13 | 110.7° | 109.5° |
| O1 | PA | O1A | 113.0° | 109.5° |
| O1 | PA | O3A | 106.8° | 109.5° |
| O1A | PA | O3A | 104.6° | 109.5° |
| PA | O1A | H11 | 109.5° | 114.0° |
| PA | O3A | PB | 130.0° | 134.0° |
| O3B | PB | O3A | 110.8° | 109.5° |
| O3B | PB | O1B | 114.6° | 109.4° |
| O3B | PB | O2B | 111.8° | 109.5° |
| O3A | PB | O1B | 106.4° | 109.5° |
| O3A | PB | O2B | 101.9° | 109.5° |
| O1B | PB | O2B | 110.5° | 109.5° |
| PB | O1B | H10 | 109.5° | 114.0° |
| PB | O2B | H9 | 109.5° | 114.0° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.4° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H6 | C10 | H8 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.4° | 109.5° |
| H15 | C9 | H16 | 109.4° | 109.5° |
| H15 | C9 | H17 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C8 | C9 | C7 | 176.6° | 179.9° |
| C10 | C8 | C7 | C6 | 177.8° | 180.0° |
| C10 | C8 | C7 | H5 | 2.2° | 0.1° |
| C8 | C10 | H6 | H7 | 120.0° | 120.1° |
| C8 | C10 | H6 | H8 | 120.0° | 120.0° |
| C8 | C10 | H7 | H8 | 120.0° | 119.9° |
| C10 | C8 | C9 | H15 | 180.0° | 120.0° |
| C10 | C8 | C9 | H16 | 60.0° | 0.1° |
| C10 | C8 | C9 | H17 | 60.0° | 120.0° |
| C9 | C8 | C7 | C6 | 1.2° | 0.1° |
| C9 | C8 | C7 | H5 | 178.8° | 180.0° |
| C9 | C8 | C10 | H6 | 180.0° | 89.9° |
| C9 | C8 | C10 | H7 | 60.0° | 150.0° |
| C9 | C8 | C10 | H8 | 60.0° | 30.1° |
| C8 | C9 | H15 | H16 | 120.0° | 120.1° |
| C8 | C9 | H15 | H17 | 120.0° | 120.0° |
| C8 | C9 | H16 | H17 | 120.0° | 119.9° |
| C8 | C7 | C6 | H5 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 159.5° | 125.0° |
| C8 | C7 | C6 | H3 | 40.4° | 5.0° |
| C8 | C7 | C6 | H4 | 81.4° | 115.0° |
| C7 | C8 | C10 | H6 | 3.1° | 90.0° |
| C7 | C8 | C10 | H7 | 123.2° | 30.1° |
| C7 | C8 | C10 | H8 | 116.9° | 150.0° |
| C7 | C8 | C9 | H15 | 3.4° | 59.9° |
| C7 | C8 | C9 | H16 | 116.6° | 180.0° |
| C7 | C8 | C9 | H17 | 123.4° | 60.1° |
| C7 | C6 | C5 | H3 | 119.1° | 120.0° |
| C7 | C6 | C5 | H4 | 119.1° | 120.0° |
| C7 | C6 | C5 | C3 | 170.1° | 180.0° |
| C7 | C6 | C5 | H1 | 50.2° | 60.0° |
| C7 | C6 | C5 | H2 | 70.0° | 60.0° |
| C7 | C6 | H3 | H4 | 122.7° | 120.0° |
| C6 | C5 | C3 | H1 | 120.0° | 120.0° |
| C6 | C5 | C3 | H2 | 119.9° | 120.0° |
| C6 | C5 | C3 | C2 | 31.5° | 95.0° |
| C6 | C5 | C3 | BR1 | 154.6° | 85.0° |
| C6 | C5 | H1 | H2 | 120.2° | 120.1° |
| C5 | C6 | H3 | H4 | 122.6° | 119.9° |
| C5 | C6 | C7 | H5 | 20.5° | 54.9° |
| C5 | C3 | C2 | BR1 | 173.8° | 180.0° |
| C5 | C3 | C2 | C1 | 179.1° | 180.0° |
| C3 | C5 | H1 | H2 | 120.2° | 119.9° |
| C3 | C5 | C6 | H3 | 70.8° | 60.0° |
| C3 | C5 | C6 | H4 | 51.0° | 60.0° |
| C5 | C3 | C2 | H14 | 0.9° | 0.0° |
| C3 | C2 | C1 | H14 | 180.0° | 180.0° |
| C3 | C2 | C1 | O1 | 107.3° | 135.0° |
| C2 | C3 | C5 | H1 | 88.4° | 25.0° |
| C2 | C3 | C5 | H2 | 151.5° | 145.0° |
| C3 | C2 | C1 | H12 | 12.0° | 15.0° |
| C3 | C2 | C1 | H13 | 133.5° | 105.0° |
| BR1 | C3 | C2 | C1 | 5.4° | 0.0° |
| BR1 | C3 | C5 | H1 | 85.5° | 155.0° |
| BR1 | C3 | C5 | H2 | 34.7° | 35.0° |
| BR1 | C3 | C2 | H14 | 174.7° | 180.0° |
| C2 | C1 | O1 | H12 | 119.2° | 120.0° |
| C2 | C1 | O1 | H13 | 119.2° | 120.0° |
| C2 | C1 | O1 | PA | 127.5° | 180.0° |
| C2 | C1 | H12 | H13 | 122.3° | 120.0° |
| O2A | PA | O1 | C1 | 40.6° | 55.0° |
| O2A | PA | O1 | O1A | 134.2° | 120.0° |
| O2A | PA | O1 | O3A | 111.4° | 120.0° |
| O2A | PA | O1A | O3A | 114.6° | 120.0° |
| O2A | PA | O3A | PB | 41.7° | 45.0° |
| O2A | PA | O1A | H11 | 0.0° | 179.9° |
| C1 | O1 | PA | O1A | 174.8° | 65.0° |
| C1 | O1 | PA | O3A | 70.8° | 175.0° |
| O1 | C1 | H12 | H13 | 122.3° | 120.0° |
| O1 | C1 | C2 | H14 | 72.8° | 45.0° |
| O1 | PA | O1A | O3A | 115.8° | 120.0° |
| O1 | PA | O3A | PB | 73.7° | 165.0° |
| O1 | PA | O1A | H11 | 129.7° | 60.1° |
| PA | O1 | C1 | H12 | 113.3° | 60.0° |
| PA | O1 | C1 | H13 | 8.3° | 60.0° |
| O1A | PA | O3A | PB | 166.3° | 75.0° |
| PA | O3A | PB | O3B | 21.4° | 45.0° |
| PA | O3A | PB | O1B | 103.8° | 165.0° |
| PA | O3A | PB | O2B | 140.4° | 75.0° |
| O3A | PA | O1A | H11 | 114.5° | 60.0° |
| O3B | PB | O3A | O1B | 125.2° | 120.0° |
| O3B | PB | O3A | O2B | 119.0° | 120.0° |
| O3B | PB | O1B | O2B | 127.4° | 120.0° |
| O3B | PB | O2B | H9 | 0.0° | 180.0° |
| O3B | PB | O1B | H10 | 0.0° | 60.0° |
| O3A | PB | O1B | O2B | 109.8° | 120.0° |
| O3A | PB | O2B | H9 | 118.3° | 60.0° |
| O3A | PB | O1B | H10 | 122.8° | 180.0° |
| O1B | PB | O2B | H9 | 129.0° | 60.0° |
| O2B | PB | O1B | H10 | 127.4° | 60.0° |
| H1 | C5 | C6 | H3 | 169.3° | 60.0° |
| H1 | C5 | C6 | H4 | 68.9° | 180.0° |
| H2 | C5 | C6 | H3 | 49.1° | 179.9° |
| H2 | C5 | C6 | H4 | 170.9° | 60.0° |
| H3 | C6 | C7 | H5 | 139.6° | 175.0° |
| H4 | C6 | C7 | H5 | 98.6° | 65.0° |
| H6 | C10 | H7 | H8 | 120.0° | 120.0° |
| H12 | C1 | C2 | H14 | 168.0° | 165.0° |
| H13 | C1 | C2 | H14 | 46.4° | 75.0° |
| H15 | C9 | H16 | H17 | 120.0° | 119.9° |
