C4L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C1 | sing | 1.43Å | 1.44Å | |
| O1 | C4 | doub | 1.21Å | 1.25Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C4 | O2 | sing | 1.34Å | 1.25Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| O4 | C5 | doub | 1.21Å | 1.22Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | N1 | sing | 1.46Å | 1.47Å | |
| C5 | N1 | sing | 1.35Å | 1.34Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| O3 | H7 | sing | 0.97Å | 0.95Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C1 | C2 | 110.1° | 109.5° |
| O3 | C1 | H5 | 109.3° | 109.4° |
| O3 | C1 | H6 | 109.3° | 109.5° |
| C1 | O3 | H7 | 109.5° | 114.0° |
| O1 | C4 | C3 | 119.2° | 120.0° |
| O1 | C4 | O2 | 123.4° | 120.0° |
| C3 | C4 | O2 | 117.4° | 120.0° |
| C4 | C3 | C2 | 111.4° | 109.4° |
| C4 | C3 | N1 | 112.4° | 109.5° |
| C4 | C3 | H2 | 108.3° | 109.5° |
| C4 | O2 | H1 | 109.5° | 117.0° |
| C1 | C2 | C3 | 112.3° | 109.4° |
| C1 | C2 | H3 | 108.8° | 109.5° |
| C1 | C2 | H4 | 108.8° | 109.5° |
| C2 | C1 | H5 | 109.4° | 109.5° |
| C2 | C1 | H6 | 109.4° | 109.5° |
| O4 | C5 | N1 | 123.4° | 120.0° |
| O4 | C5 | C6 | 119.8° | 120.0° |
| C2 | C3 | N1 | 107.9° | 109.5° |
| C2 | C3 | H2 | 108.0° | 109.5° |
| C3 | C2 | H3 | 108.8° | 109.5° |
| C3 | C2 | H4 | 108.8° | 109.5° |
| C3 | N1 | C5 | 122.5° | 120.0° |
| N1 | C3 | H2 | 108.8° | 109.5° |
| C3 | N1 | H8 | 118.8° | 120.1° |
| N1 | C5 | C6 | 116.7° | 120.0° |
| C5 | N1 | H8 | 118.8° | 119.9° |
| C5 | C6 | C7 | 109.3° | 109.4° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C5 | C6 | H10 | 109.5° | 109.5° |
| C8 | C7 | C6 | 112.6° | 109.4° |
| C8 | C7 | H11 | 108.7° | 109.5° |
| C8 | C7 | H12 | 108.7° | 109.5° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C7 | C8 | H14 | 109.5° | 109.5° |
| C7 | C8 | H15 | 109.5° | 109.5° |
| C7 | C6 | H9 | 109.5° | 109.5° |
| C7 | C6 | H10 | 109.5° | 109.5° |
| C6 | C7 | H11 | 108.7° | 109.5° |
| C6 | C7 | H12 | 108.7° | 109.5° |
| H3 | C2 | H4 | 109.4° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H15 | 109.4° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C1 | C2 | H5 | 120.1° | 120.0° |
| O3 | C1 | C2 | H6 | 120.1° | 120.0° |
| O3 | C1 | C2 | C3 | 71.7° | 180.0° |
| O3 | C1 | C2 | H3 | 48.8° | 60.0° |
| O3 | C1 | C2 | H4 | 167.9° | 60.0° |
| O3 | C1 | H5 | H6 | 119.7° | 120.0° |
| O1 | C4 | C3 | O2 | 178.9° | 179.7° |
| O1 | C4 | C3 | C2 | 25.7° | 120.0° |
| O1 | C4 | C3 | N1 | 146.9° | 0.0° |
| O1 | C4 | O2 | H1 | 0.0° | 0.1° |
| O1 | C4 | C3 | H2 | 92.9° | 120.0° |
| C4 | C3 | C2 | C1 | 160.2° | 175.0° |
| C4 | C3 | C2 | N1 | 123.8° | 120.0° |
| C4 | C3 | C2 | H2 | 118.8° | 120.0° |
| C4 | C3 | N1 | H2 | 119.9° | 120.1° |
| C4 | C3 | N1 | C5 | 105.4° | 85.0° |
| C3 | C4 | O2 | H1 | 178.8° | 179.7° |
| C4 | C3 | C2 | H3 | 39.7° | 65.0° |
| C4 | C3 | C2 | H4 | 79.4° | 55.0° |
| C4 | C3 | N1 | H8 | 74.6° | 94.9° |
| O2 | C4 | C3 | C2 | 155.4° | 60.3° |
| O2 | C4 | C3 | N1 | 34.2° | 179.7° |
| O2 | C4 | C3 | H2 | 86.0° | 59.6° |
| C1 | C2 | C3 | H3 | 120.4° | 120.0° |
| C1 | C2 | C3 | H4 | 120.4° | 120.0° |
| C1 | C2 | C3 | N1 | 76.1° | 65.0° |
| C1 | C2 | C3 | H2 | 41.4° | 55.0° |
| C1 | C2 | H3 | H4 | 118.7° | 120.0° |
| C2 | C1 | H5 | H6 | 119.8° | 120.0° |
| C2 | C1 | O3 | H7 | 180.0° | 180.0° |
| O4 | C5 | N1 | C3 | 0.9° | 0.0° |
| O4 | C5 | N1 | C6 | 179.1° | 180.0° |
| O4 | C5 | C6 | C7 | 47.1° | 0.0° |
| O4 | C5 | N1 | H8 | 179.1° | 180.0° |
| O4 | C5 | C6 | H9 | 72.9° | 120.0° |
| O4 | C5 | C6 | H10 | 167.1° | 119.9° |
| C2 | C3 | N1 | H2 | 116.9° | 120.0° |
| C2 | C3 | N1 | C5 | 131.4° | 155.0° |
| C3 | C2 | H3 | H4 | 118.7° | 120.0° |
| C3 | C2 | C1 | H5 | 168.3° | 60.0° |
| C3 | C2 | C1 | H6 | 48.4° | 60.0° |
| C2 | C3 | N1 | H8 | 48.6° | 25.0° |
| C3 | N1 | C5 | H8 | 180.0° | 180.0° |
| C3 | N1 | C5 | C6 | 179.9° | 180.0° |
| N1 | C3 | C2 | H3 | 163.5° | 55.0° |
| N1 | C3 | C2 | H4 | 44.4° | 175.0° |
| N1 | C5 | C6 | C7 | 132.1° | 180.0° |
| C5 | N1 | C3 | H2 | 14.5° | 35.0° |
| N1 | C5 | C6 | H9 | 107.9° | 60.0° |
| N1 | C5 | C6 | H10 | 12.1° | 60.0° |
| C5 | C6 | C7 | C8 | 64.7° | 180.0° |
| C5 | C6 | C7 | H9 | 120.0° | 120.0° |
| C5 | C6 | C7 | H10 | 120.0° | 120.0° |
| C6 | C5 | N1 | H8 | 0.1° | 0.0° |
| C5 | C6 | H9 | H10 | 120.0° | 120.0° |
| C5 | C6 | C7 | H11 | 174.9° | 60.0° |
| C5 | C6 | C7 | H12 | 55.8° | 60.0° |
| C8 | C7 | C6 | H11 | 120.5° | 120.0° |
| C8 | C7 | C6 | H12 | 120.4° | 120.0° |
| C8 | C7 | C6 | H9 | 175.3° | 60.0° |
| C8 | C7 | C6 | H10 | 55.3° | 60.0° |
| C8 | C7 | H11 | H12 | 118.6° | 120.0° |
| C7 | C8 | H13 | H14 | 120.0° | 120.0° |
| C7 | C8 | H13 | H15 | 120.0° | 120.0° |
| C7 | C8 | H14 | H15 | 120.0° | 120.0° |
| C7 | C6 | H9 | H10 | 120.1° | 120.0° |
| C6 | C7 | H11 | H12 | 118.6° | 120.1° |
| C6 | C7 | C8 | H13 | 180.0° | 180.0° |
| C6 | C7 | C8 | H14 | 60.0° | 60.0° |
| C6 | C7 | C8 | H15 | 60.0° | 60.0° |
| H2 | C3 | C2 | H3 | 79.0° | 175.0° |
| H2 | C3 | C2 | H4 | 161.8° | 65.0° |
| H2 | C3 | N1 | H8 | 165.5° | 145.0° |
| H3 | C2 | C1 | H5 | 71.3° | 180.0° |
| H3 | C2 | C1 | H6 | 168.8° | 60.0° |
| H4 | C2 | C1 | H5 | 47.8° | 60.0° |
| H4 | C2 | C1 | H6 | 72.0° | 180.0° |
| H5 | C1 | O3 | H7 | 59.9° | 60.0° |
| H6 | C1 | O3 | H7 | 59.9° | 60.0° |
| H9 | C6 | C7 | H11 | 54.9° | 180.0° |
| H9 | C6 | C7 | H12 | 64.2° | 60.0° |
| H10 | C6 | C7 | H11 | 65.2° | 60.0° |
| H10 | C6 | C7 | H12 | 175.7° | 180.0° |
| H11 | C7 | C8 | H13 | 59.5° | 60.0° |
| H11 | C7 | C8 | H14 | 60.5° | 180.0° |
| H11 | C7 | C8 | H15 | 179.5° | 60.0° |
| H12 | C7 | C8 | H13 | 59.5° | 60.0° |
| H12 | C7 | C8 | H14 | 179.5° | 60.0° |
| H12 | C7 | C8 | H15 | 60.4° | 180.0° |
| H13 | C8 | H14 | H15 | 120.0° | 120.0° |
