L4C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C9 | sing | 1.36Å | 1.29Å | |
| O17 | H17 | sing | 0.98Å | 0.95Å | |
| C9 | O16 | doub | 1.22Å | 1.21Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H101 | sing | 1.10Å | 1.11Å | |
| C10 | H102 | sing | 1.10Å | 1.11Å | |
| C11 | C8 | sing | 1.51Å | 1.49Å | |
| C11 | H111 | sing | 1.10Å | 1.12Å | |
| C11 | H112 | sing | 1.10Å | 1.12Å | |
| C8 | C12 | sing | 1.50Å | 1.47Å | |
| C8 | N1 | doub | 1.29Å | 1.30Å | |
| C12 | O19 | doub | 1.21Å | 1.21Å | |
| C12 | O18 | sing | 1.34Å | 1.26Å | |
| O18 | H18 | sing | 0.98Å | 0.95Å | |
| N1 | O13 | sing | 1.40Å | 1.38Å | |
| O13 | C5 | sing | 1.42Å | 1.45Å | |
| C5 | C3 | sing | 1.52Å | 1.53Å | |
| C5 | H5C1 | sing | 1.10Å | 1.12Å | |
| C5 | H5C2 | sing | 1.10Å | 1.11Å | |
| C3 | N2 | sing | 1.44Å | 1.47Å | |
| C3 | C4 | sing | 1.52Å | 1.54Å | |
| C3 | H3 | sing | 1.10Å | 1.11Å | |
| N2 | C6 | sing | 1.38Å | 1.35Å | |
| N2 | H2 | sing | 1.02Å | 1.02Å | |
| C6 | C7 | sing | 1.49Å | 1.53Å | |
| C6 | O15 | doub | 1.22Å | 1.24Å | |
| C7 | H7C2 | sing | 1.10Å | 1.12Å | |
| C7 | H7C3 | sing | 1.10Å | 1.11Å | |
| C7 | H7C1 | sing | 1.10Å | 1.11Å | |
| C4 | O14 | doub | 1.22Å | 1.23Å | |
| C4 | OXT | sing | 1.36Å | 1.42Å | |
| OXT | HOT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | O17 | H17 | 120.7° | 114.9° |
| O17 | C9 | O16 | 120.7° | 122.9° |
| O17 | C9 | C10 | 130.5° | 111.3° |
| O16 | C9 | C10 | 108.8° | 125.8° |
| C9 | C10 | C11 | 107.0° | 113.0° |
| C9 | C10 | H101 | 113.2° | 108.5° |
| C9 | C10 | H102 | 113.2° | 106.8° |
| C11 | C10 | H101 | 113.1° | 111.2° |
| C11 | C10 | H102 | 113.1° | 108.4° |
| C10 | C11 | C8 | 117.5° | 111.0° |
| C10 | C11 | H111 | 109.3° | 111.8° |
| C10 | C11 | H112 | 109.3° | 109.5° |
| H101 | C10 | H102 | 97.3° | 108.9° |
| C8 | C11 | H111 | 109.3° | 109.8° |
| C8 | C11 | H112 | 109.3° | 108.1° |
| C11 | C8 | C12 | 125.8° | 116.8° |
| C11 | C8 | N1 | 120.1° | 127.3° |
| H111 | C11 | H112 | 100.8° | 106.4° |
| C12 | C8 | N1 | 113.9° | 115.9° |
| C8 | C12 | O19 | 115.8° | 122.4° |
| C8 | C12 | O18 | 124.9° | 109.3° |
| C8 | N1 | O13 | 131.0° | 111.0° |
| O19 | C12 | O18 | 119.0° | 128.3° |
| C12 | O18 | H18 | 124.8° | 112.3° |
| N1 | O13 | C5 | 123.2° | 108.2° |
| O13 | C5 | C3 | 114.6° | 109.2° |
| O13 | C5 | H5C1 | 110.3° | 107.8° |
| O13 | C5 | H5C2 | 110.3° | 108.7° |
| C3 | C5 | H5C1 | 110.3° | 111.0° |
| C3 | C5 | H5C2 | 110.3° | 111.6° |
| C5 | C3 | N2 | 110.4° | 111.7° |
| C5 | C3 | C4 | 103.4° | 110.5° |
| C5 | C3 | H3 | 115.9° | 111.8° |
| H5C1 | C5 | H5C2 | 99.9° | 108.4° |
| N2 | C3 | C4 | 117.2° | 107.3° |
| N2 | C3 | H3 | 101.7° | 105.4° |
| C3 | N2 | C6 | 126.0° | 123.2° |
| C3 | N2 | H2 | 122.1° | 118.4° |
| C4 | C3 | H3 | 108.9° | 110.0° |
| C3 | C4 | O14 | 125.5° | 125.1° |
| C3 | C4 | OXT | 117.9° | 111.9° |
| C6 | N2 | H2 | 111.9° | 118.4° |
| N2 | C6 | C7 | 120.1° | 114.1° |
| N2 | C6 | O15 | 120.4° | 126.4° |
| C7 | C6 | O15 | 119.5° | 119.5° |
| C6 | C7 | H7C2 | 108.4° | 112.4° |
| C6 | C7 | H7C3 | 120.1° | 115.3° |
| C6 | C7 | H7C1 | 108.4° | 112.4° |
| H7C2 | C7 | H7C3 | 108.4° | 105.3° |
| H7C2 | C7 | H7C1 | 101.6° | 105.3° |
| H7C3 | C7 | H7C1 | 108.4° | 105.2° |
| O14 | C4 | OXT | 116.5° | 122.9° |
| C4 | OXT | HOT | 117.9° | 115.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C9 | O16 | C10 | 177.6° | 180.0° |
| O17 | C9 | C10 | C11 | 16.1° | 176.2° |
| O17 | C9 | C10 | H101 | 109.1° | 60.1° |
| O17 | C9 | C10 | H102 | 141.4° | 57.2° |
| H17 | O17 | C9 | O16 | 180.0° | 0.0° |
| H17 | O17 | C9 | C10 | 3.0° | 180.0° |
| O16 | C9 | C10 | C11 | 161.1° | 3.8° |
| O16 | C9 | C10 | H101 | 73.6° | 120.0° |
| O16 | C9 | C10 | H102 | 35.9° | 122.8° |
| C9 | C10 | C11 | H101 | 125.3° | 122.2° |
| C9 | C10 | C11 | H102 | 125.3° | 118.1° |
| C9 | C10 | H101 | H102 | 119.1° | 115.8° |
| C9 | C10 | C11 | C8 | 151.6° | 177.8° |
| C9 | C10 | C11 | H111 | 26.4° | 59.2° |
| C9 | C10 | C11 | H112 | 83.1° | 58.5° |
| C11 | C10 | H101 | H102 | 119.0° | 119.3° |
| C10 | C11 | C8 | H111 | 125.3° | 124.2° |
| C10 | C11 | C8 | H112 | 125.3° | 120.1° |
| C10 | C11 | H111 | H112 | 115.1° | 119.5° |
| C10 | C11 | C8 | C12 | 41.6° | 94.2° |
| C10 | C11 | C8 | N1 | 144.4° | 84.0° |
| H101 | C10 | C11 | C8 | 83.1° | 60.0° |
| H101 | C10 | C11 | H111 | 151.6° | 63.0° |
| H101 | C10 | C11 | H112 | 42.2° | 179.3° |
| H102 | C10 | C11 | C8 | 26.3° | 59.7° |
| H102 | C10 | C11 | H111 | 98.9° | 177.3° |
| H102 | C10 | C11 | H112 | 151.6° | 59.6° |
| C8 | C11 | H111 | H112 | 115.1° | 116.8° |
| C11 | C8 | C12 | N1 | 174.3° | 178.4° |
| C11 | C8 | C12 | O19 | 29.2° | 90.1° |
| C11 | C8 | C12 | O18 | 157.3° | 91.4° |
| C11 | C8 | N1 | O13 | 3.2° | 0.7° |
| H111 | C11 | C8 | C12 | 166.9° | 29.9° |
| H111 | C11 | C8 | N1 | 19.2° | 151.9° |
| H112 | C11 | C8 | C12 | 83.6° | 145.7° |
| H112 | C11 | C8 | N1 | 90.3° | 36.1° |
| C8 | C12 | O19 | O18 | 174.0° | 178.2° |
| C8 | C12 | O18 | H18 | 180.0° | 178.4° |
| C12 | C8 | N1 | O13 | 177.9° | 178.9° |
| N1 | C8 | C12 | O19 | 145.1° | 88.3° |
| N1 | C8 | C12 | O18 | 28.5° | 90.2° |
| C8 | N1 | O13 | C5 | 148.5° | 180.0° |
| O19 | C12 | O18 | H18 | 6.6° | 0.0° |
| N1 | O13 | C5 | C3 | 51.6° | 179.9° |
| N1 | O13 | C5 | H5C1 | 73.7° | 59.2° |
| N1 | O13 | C5 | H5C2 | 176.8° | 58.1° |
| O13 | C5 | C3 | H5C1 | 125.3° | 118.7° |
| O13 | C5 | C3 | H5C2 | 125.3° | 120.2° |
| O13 | C5 | H5C1 | H5C2 | 116.2° | 117.5° |
| O13 | C5 | C3 | N2 | 55.1° | 58.1° |
| O13 | C5 | C3 | C4 | 71.0° | 61.2° |
| O13 | C5 | C3 | H3 | 170.0° | 175.9° |
| C3 | C5 | H5C1 | H5C2 | 116.2° | 122.9° |
| C5 | C3 | N2 | C4 | 117.9° | 121.3° |
| C5 | C3 | N2 | H3 | 123.6° | 121.6° |
| C5 | C3 | C4 | H3 | 123.8° | 123.9° |
| C5 | C3 | N2 | C6 | 57.3° | 91.6° |
| C5 | C3 | N2 | H2 | 122.7° | 88.5° |
| C5 | C3 | C4 | O14 | 124.2° | 86.1° |
| C5 | C3 | C4 | OXT | 52.9° | 91.6° |
| H5C1 | C5 | C3 | N2 | 179.6° | 60.6° |
| H5C1 | C5 | C3 | C4 | 54.3° | 180.0° |
| H5C1 | C5 | C3 | H3 | 64.8° | 57.2° |
| H5C2 | C5 | C3 | N2 | 70.2° | 178.3° |
| H5C2 | C5 | C3 | C4 | 163.7° | 59.0° |
| H5C2 | C5 | C3 | H3 | 44.7° | 63.8° |
| N2 | C3 | C4 | H3 | 114.6° | 114.1° |
| C3 | N2 | C6 | H2 | 180.0° | 180.0° |
| C3 | N2 | C6 | C7 | 164.5° | 179.9° |
| C3 | N2 | C6 | O15 | 12.6° | 0.0° |
| N2 | C3 | C4 | O14 | 2.6° | 35.9° |
| N2 | C3 | C4 | OXT | 174.5° | 146.4° |
| C4 | C3 | N2 | C6 | 175.2° | 147.2° |
| C4 | C3 | N2 | H2 | 4.8° | 32.8° |
| C3 | C4 | O14 | OXT | 177.1° | 177.5° |
| C3 | C4 | OXT | HOT | 180.0° | 177.8° |
| H3 | C3 | N2 | C6 | 66.3° | 30.0° |
| H3 | C3 | N2 | H2 | 113.7° | 150.0° |
| H3 | C3 | C4 | O14 | 112.0° | 150.0° |
| H3 | C3 | C4 | OXT | 70.9° | 32.3° |
| N2 | C6 | C7 | O15 | 177.2° | 179.9° |
| N2 | C6 | C7 | H7C2 | 54.7° | 120.6° |
| N2 | C6 | C7 | H7C3 | 180.0° | 0.1° |
| N2 | C6 | C7 | H7C1 | 54.7° | 120.8° |
| H2 | N2 | C6 | C7 | 15.4° | 0.1° |
| H2 | N2 | C6 | O15 | 167.4° | 180.0° |
| C6 | C7 | H7C2 | H7C3 | 131.9° | 126.3° |
| C6 | C7 | H7C2 | H7C1 | 114.0° | 122.8° |
| C6 | C7 | H7C3 | H7C1 | 125.2° | 124.5° |
| O15 | C6 | C7 | H7C2 | 122.5° | 59.4° |
| O15 | C6 | C7 | H7C3 | 2.8° | 179.9° |
| O15 | C6 | C7 | H7C1 | 128.1° | 59.3° |
| H7C2 | C7 | H7C3 | H7C1 | 109.5° | 111.0° |
| O14 | C4 | OXT | HOT | 2.7° | 0.0° |
