T5L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | doub | 1.21Å | 1.22Å | |
| C3 | O2 | sing | 1.34Å | 1.30Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| O1 | C | doub | 1.21Å | 1.30Å | |
| C4 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C1 | C7 | sing | 1.53Å | 1.53Å | |
| C | O | sing | 1.34Å | 1.21Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| O | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | O2 | 124.6° | 120.0° |
| O3 | C3 | C2 | 124.7° | 120.0° |
| O2 | C3 | C2 | 110.6° | 120.0° |
| C3 | O2 | H3 | 109.5° | 117.0° |
| C3 | C2 | C4 | 114.0° | 109.5° |
| C3 | C2 | C1 | 113.3° | 109.5° |
| C3 | C2 | H2 | 106.2° | 109.5° |
| O1 | C | C1 | 112.7° | 120.0° |
| O1 | C | O | 123.7° | 119.9° |
| C2 | C4 | C5 | 110.8° | 109.5° |
| C4 | C2 | C1 | 110.8° | 109.5° |
| C4 | C2 | H2 | 105.9° | 109.5° |
| C2 | C4 | H4 | 109.1° | 109.5° |
| C2 | C4 | H5 | 109.1° | 109.5° |
| C4 | C5 | C6 | 111.9° | 109.5° |
| C5 | C4 | H4 | 109.1° | 109.5° |
| C5 | C4 | H5 | 109.1° | 109.4° |
| C4 | C5 | H6 | 108.9° | 109.5° |
| C4 | C5 | H7 | 108.8° | 109.5° |
| C2 | C1 | C | 112.9° | 109.5° |
| C2 | C1 | C7 | 109.5° | 109.5° |
| C2 | C1 | H1 | 107.1° | 109.4° |
| C1 | C2 | H2 | 105.9° | 109.4° |
| C | C1 | C7 | 112.6° | 109.5° |
| C1 | C | O | 123.6° | 120.0° |
| C | C1 | H1 | 107.4° | 109.5° |
| C1 | C7 | C6 | 111.3° | 109.5° |
| C7 | C1 | H1 | 107.1° | 109.5° |
| C1 | C7 | H10 | 109.0° | 109.5° |
| C1 | C7 | H11 | 109.0° | 109.5° |
| C | O | H12 | 109.5° | 117.0° |
| C5 | C6 | C7 | 112.0° | 109.5° |
| C6 | C5 | H6 | 108.8° | 109.5° |
| C6 | C5 | H7 | 108.8° | 109.4° |
| C5 | C6 | H8 | 108.8° | 109.4° |
| C5 | C6 | H9 | 108.8° | 109.5° |
| C7 | C6 | H8 | 108.8° | 109.5° |
| C7 | C6 | H9 | 108.8° | 109.5° |
| C6 | C7 | H10 | 109.0° | 109.5° |
| C6 | C7 | H11 | 109.0° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| H10 | C7 | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | O2 | C2 | 179.5° | 180.0° |
| O3 | C3 | C2 | C4 | 49.2° | 120.0° |
| O3 | C3 | C2 | C1 | 78.7° | 0.0° |
| O3 | C3 | C2 | H2 | 165.4° | 120.0° |
| O3 | C3 | O2 | H3 | 0.0° | 0.0° |
| O2 | C3 | C2 | C4 | 130.3° | 60.0° |
| O2 | C3 | C2 | C1 | 101.8° | 180.0° |
| O2 | C3 | C2 | H2 | 14.1° | 60.0° |
| C3 | C2 | C4 | C1 | 129.2° | 120.1° |
| C3 | C2 | C4 | H2 | 116.4° | 120.0° |
| C3 | C2 | C4 | C5 | 173.2° | 180.0° |
| C3 | C2 | C1 | H2 | 116.0° | 120.0° |
| C3 | C2 | C1 | C | 45.1° | 60.0° |
| C3 | C2 | C1 | C7 | 171.4° | 180.0° |
| C3 | C2 | C1 | H1 | 72.9° | 60.0° |
| C2 | C3 | O2 | H3 | 179.5° | 180.0° |
| C3 | C2 | C4 | H4 | 66.6° | 60.0° |
| C3 | C2 | C4 | H5 | 53.1° | 60.0° |
| O1 | C | C1 | C2 | 107.3° | 0.1° |
| O1 | C | C1 | O | 178.2° | 180.0° |
| O1 | C | C1 | C7 | 128.1° | 120.0° |
| O1 | C | C1 | H1 | 10.5° | 120.0° |
| O1 | C | O | H12 | 0.0° | 0.0° |
| C2 | C4 | C5 | H4 | 120.2° | 120.0° |
| C2 | C4 | C5 | H5 | 120.2° | 120.0° |
| C4 | C2 | C1 | H2 | 114.4° | 120.0° |
| C4 | C2 | C1 | C | 174.7° | 180.0° |
| C4 | C2 | C1 | C7 | 59.0° | 60.0° |
| C2 | C4 | C5 | C6 | 54.0° | 59.9° |
| C4 | C2 | C1 | H1 | 56.7° | 60.0° |
| C2 | C4 | H4 | H5 | 119.4° | 120.0° |
| C2 | C4 | C5 | H6 | 174.3° | 180.0° |
| C2 | C4 | C5 | H7 | 66.4° | 60.0° |
| C5 | C4 | C2 | C1 | 57.5° | 59.9° |
| C4 | C5 | C6 | H6 | 120.4° | 120.1° |
| C4 | C5 | C6 | H7 | 120.4° | 120.0° |
| C4 | C5 | C6 | C7 | 52.7° | 59.9° |
| C5 | C4 | C2 | H2 | 56.8° | 60.0° |
| C5 | C4 | H4 | H5 | 119.4° | 120.0° |
| C4 | C5 | H6 | H7 | 118.9° | 120.0° |
| C4 | C5 | C6 | H8 | 67.7° | 60.0° |
| C4 | C5 | C6 | H9 | 173.0° | 180.0° |
| C2 | C1 | C | C7 | 124.6° | 120.1° |
| C2 | C1 | C | H1 | 117.8° | 119.9° |
| C2 | C1 | C7 | H1 | 115.7° | 120.0° |
| C2 | C1 | C | O | 74.5° | 180.0° |
| C2 | C1 | C7 | C6 | 57.3° | 60.0° |
| C1 | C2 | C4 | H4 | 62.6° | 60.0° |
| C1 | C2 | C4 | H5 | 177.7° | 179.9° |
| C2 | C1 | C7 | H10 | 62.9° | 60.0° |
| C2 | C1 | C7 | H11 | 177.6° | 180.0° |
| C | C1 | C7 | H1 | 117.8° | 120.0° |
| C | C1 | C7 | C6 | 176.2° | 180.0° |
| C | C1 | C2 | H2 | 70.9° | 60.0° |
| C | C1 | C7 | H10 | 63.5° | 60.0° |
| C | C1 | C7 | H11 | 55.9° | 60.0° |
| C1 | C | O | H12 | 177.9° | 180.0° |
| C7 | C1 | C | O | 50.1° | 60.0° |
| C1 | C7 | C6 | C5 | 54.5° | 60.0° |
| C1 | C7 | C6 | H10 | 120.3° | 120.0° |
| C1 | C7 | C6 | H11 | 120.3° | 120.0° |
| C7 | C1 | C2 | H2 | 55.4° | 60.0° |
| C1 | C7 | C6 | H8 | 65.8° | 60.0° |
| C1 | C7 | C6 | H9 | 174.9° | 180.0° |
| C1 | C7 | H10 | H11 | 119.2° | 120.0° |
| O | C | C1 | H1 | 167.7° | 60.0° |
| C5 | C6 | C7 | H8 | 120.4° | 120.0° |
| C5 | C6 | C7 | H9 | 120.4° | 120.1° |
| C6 | C5 | C4 | H4 | 66.2° | 60.1° |
| C6 | C5 | C4 | H5 | 174.1° | 179.9° |
| C6 | C5 | H6 | H7 | 118.9° | 120.0° |
| C5 | C6 | H8 | H9 | 118.9° | 120.0° |
| C5 | C6 | C7 | H10 | 65.7° | 60.0° |
| C5 | C6 | C7 | H11 | 174.8° | 180.0° |
| C6 | C7 | C1 | H1 | 58.4° | 60.0° |
| C7 | C6 | C5 | H6 | 173.1° | 180.0° |
| C7 | C6 | C5 | H7 | 67.7° | 60.0° |
| C7 | C6 | H8 | H9 | 118.8° | 120.0° |
| C6 | C7 | H10 | H11 | 119.2° | 120.0° |
| H1 | C1 | C2 | H2 | 171.1° | NaN° |
| H1 | C1 | C7 | H10 | 178.7° | 180.0° |
| H1 | C1 | C7 | H11 | 61.9° | 60.0° |
| H2 | C2 | C4 | H4 | 177.0° | 180.0° |
| H2 | C2 | C4 | H5 | 63.4° | 60.0° |
| H4 | C4 | C5 | H6 | 54.1° | 60.0° |
| H4 | C4 | C5 | H7 | 173.4° | 180.0° |
| H5 | C4 | C5 | H6 | 65.5° | 60.0° |
| H5 | C4 | C5 | H7 | 53.8° | 60.0° |
| H6 | C5 | C6 | H8 | 52.7° | 60.0° |
| H6 | C5 | C6 | H9 | 66.6° | 59.9° |
| H7 | C5 | C6 | H8 | 172.0° | 180.0° |
| H7 | C5 | C6 | H9 | 52.7° | 60.0° |
| H8 | C6 | C7 | H10 | 173.9° | 180.0° |
| H8 | C6 | C7 | H11 | 54.5° | 60.0° |
| H9 | C6 | C7 | H10 | 54.6° | 60.1° |
| H9 | C6 | C7 | H11 | 64.8° | 60.0° |
