L4O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | sing | 1.57Å | 1.57Å | |
| C11 | C10 | sing | 1.57Å | 1.54Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| C12 | N08 | sing | 1.49Å | 1.49Å | |
| C12 | C13 | sing | 1.56Å | 1.55Å | |
| N08 | C06 | sing | 1.35Å | 1.44Å | |
| N08 | C09 | sing | 1.48Å | 1.50Å | |
| O05 | C02 | sing | 1.45Å | 1.45Å | |
| O05 | C06 | sing | 1.35Å | 1.36Å | |
| C02 | C04 | sing | 1.53Å | 1.54Å | |
| C06 | O07 | doub | 1.21Å | 1.23Å | |
| C09 | C10 | sing | 1.56Å | 1.56Å | |
| C10 | N14 | sing | 1.50Å | 1.49Å | |
| C13 | N14 | sing | 1.48Å | 1.51Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| N14 | H18 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 90.7° | 94.2° |
| C11 | C12 | N08 | 100.6° | 101.1° |
| C11 | C12 | C13 | 98.5° | 99.7° |
| C12 | C11 | H1 | 113.9° | 112.3° |
| C12 | C11 | H2 | 113.9° | 112.4° |
| C11 | C12 | H4 | 112.8° | 116.5° |
| C11 | C10 | C09 | 99.2° | 99.6° |
| C11 | C10 | N14 | 104.1° | 101.0° |
| C10 | C11 | H1 | 113.9° | 112.3° |
| C10 | C11 | H2 | 114.0° | 112.4° |
| C11 | C10 | H3 | 113.7° | 116.5° |
| C01 | C02 | C03 | 107.2° | 109.5° |
| C01 | C02 | O05 | 109.7° | 109.5° |
| C01 | C02 | C04 | 111.6° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.4° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.4° |
| C03 | C02 | O05 | 109.3° | 109.5° |
| C03 | C02 | C04 | 108.2° | 109.5° |
| C02 | C03 | H10 | 109.5° | 109.5° |
| C02 | C03 | H11 | 109.5° | 109.5° |
| C02 | C03 | H12 | 109.5° | 109.5° |
| N08 | C12 | C13 | 116.0° | 104.2° |
| C12 | N08 | C06 | 120.6° | 127.0° |
| C12 | N08 | C09 | 102.7° | 106.1° |
| N08 | C12 | H4 | 114.1° | 116.1° |
| C12 | C13 | N14 | 103.5° | 105.0° |
| C13 | C12 | H4 | 113.1° | 116.8° |
| C12 | C13 | H5 | 111.0° | 110.3° |
| C12 | C13 | H6 | 110.9° | 110.4° |
| C06 | N08 | C09 | 116.5° | 126.9° |
| N08 | C06 | O05 | 116.0° | 120.0° |
| N08 | C06 | O07 | 122.3° | 120.0° |
| N08 | C09 | C10 | 104.3° | 105.1° |
| N08 | C09 | H16 | 110.8° | 110.3° |
| N08 | C09 | H17 | 110.8° | 110.4° |
| C02 | O05 | C06 | 125.2° | 117.0° |
| O05 | C02 | C04 | 110.8° | 109.4° |
| O05 | C06 | O07 | 121.7° | 120.0° |
| C02 | C04 | H13 | 109.5° | 109.4° |
| C02 | C04 | H14 | 109.5° | 109.5° |
| C02 | C04 | H15 | 109.5° | 109.5° |
| C09 | C10 | N14 | 110.4° | 104.1° |
| C09 | C10 | H3 | 113.4° | 116.9° |
| C10 | C09 | H16 | 110.7° | 110.3° |
| C10 | C09 | H17 | 110.7° | 110.3° |
| C10 | N14 | C13 | 103.3° | 106.0° |
| N14 | C10 | H3 | 114.6° | 116.1° |
| C10 | N14 | H18 | 111.0° | 111.0° |
| N14 | C13 | H5 | 111.0° | 110.4° |
| N14 | C13 | H6 | 111.0° | 110.3° |
| C13 | N14 | H18 | 111.0° | 110.9° |
| H1 | C11 | H2 | 109.5° | 112.0° |
| H5 | C13 | H6 | 109.4° | 110.4° |
| H7 | C01 | H8 | 109.4° | 109.4° |
| H7 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.6° |
| H10 | C03 | H11 | 109.5° | 109.5° |
| H10 | C03 | H12 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 109.5° |
| H13 | C04 | H14 | 109.5° | 109.5° |
| H13 | C04 | H15 | 109.5° | 109.5° |
| H14 | C04 | H15 | 109.5° | 109.5° |
| H16 | C09 | H17 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | H1 | 116.7° | 116.2° |
| C12 | C11 | C10 | H2 | 116.7° | 116.3° |
| C11 | C12 | N08 | C13 | 104.9° | 103.1° |
| C11 | C12 | N08 | H4 | 121.0° | 127.0° |
| C11 | C12 | C13 | H4 | 119.3° | 126.4° |
| C11 | C12 | N08 | C06 | 172.0° | 143.9° |
| C11 | C12 | N08 | C09 | 40.4° | 36.2° |
| C12 | C11 | C10 | C09 | 57.0° | 51.9° |
| C12 | C11 | C10 | N14 | 56.8° | 54.6° |
| C11 | C12 | C13 | N14 | 41.3° | 32.9° |
| C12 | C11 | H1 | H2 | 128.9° | 127.6° |
| C12 | C11 | C10 | H3 | 177.8° | 178.6° |
| C11 | C12 | C13 | H5 | 160.4° | 151.8° |
| C11 | C12 | C13 | H6 | 77.7° | 86.0° |
| C10 | C11 | C12 | N08 | 61.0° | 54.4° |
| C10 | C11 | C12 | C13 | 57.6° | 52.2° |
| C11 | C10 | C09 | N08 | 36.2° | 32.8° |
| C11 | C10 | C09 | N14 | 108.9° | 104.0° |
| C11 | C10 | C09 | H3 | 120.9° | 126.4° |
| C11 | C10 | N14 | H3 | 124.9° | 127.0° |
| C11 | C10 | N14 | C13 | 33.4° | 36.2° |
| C10 | C11 | H1 | H2 | 128.9° | 127.6° |
| C10 | C11 | C12 | H4 | 177.1° | 178.8° |
| C11 | C10 | C09 | H16 | 83.0° | 151.7° |
| C11 | C10 | C09 | H17 | 155.4° | 86.2° |
| C11 | C10 | N14 | H18 | 85.6° | 84.4° |
| C01 | C02 | C03 | O05 | 118.8° | 120.0° |
| C01 | C02 | C03 | C04 | 120.5° | 120.0° |
| C01 | C02 | O05 | C04 | 123.6° | 120.0° |
| C01 | C02 | O05 | C06 | 52.6° | 60.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 119.9° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | C02 | C03 | H10 | 180.0° | 60.0° |
| C01 | C02 | C03 | H11 | 60.0° | 180.0° |
| C01 | C02 | C03 | H12 | 60.0° | 60.0° |
| C01 | C02 | C04 | H13 | 180.0° | 60.0° |
| C01 | C02 | C04 | H14 | 60.0° | 180.0° |
| C01 | C02 | C04 | H15 | 60.0° | 60.0° |
| C03 | C02 | O05 | C04 | 119.1° | 120.0° |
| C03 | C02 | O05 | C06 | 169.9° | 60.0° |
| C03 | C02 | C01 | H7 | 180.0° | 60.0° |
| C03 | C02 | C01 | H8 | 60.0° | 59.9° |
| C03 | C02 | C01 | H9 | 60.0° | 180.0° |
| C02 | C03 | H10 | H11 | 120.0° | 120.0° |
| C02 | C03 | H10 | H12 | 120.0° | 120.0° |
| C02 | C03 | H11 | H12 | 120.0° | 120.0° |
| C03 | C02 | C04 | H13 | 62.3° | 180.0° |
| C03 | C02 | C04 | H14 | 177.7° | 60.0° |
| C03 | C02 | C04 | H15 | 57.7° | 60.0° |
| N08 | C12 | C13 | H4 | 134.5° | 129.5° |
| C12 | N08 | C06 | C09 | 125.4° | 179.9° |
| C12 | N08 | C06 | O05 | 34.9° | 180.0° |
| C12 | N08 | C06 | O07 | 143.9° | 0.0° |
| C12 | N08 | C09 | C10 | 3.0° | 1.9° |
| N08 | C12 | C13 | N14 | 64.9° | 71.2° |
| N08 | C12 | C11 | H1 | 177.7° | 61.8° |
| N08 | C12 | C11 | H2 | 55.7° | 170.8° |
| N08 | C12 | C13 | H5 | 54.2° | 47.6° |
| N08 | C12 | C13 | H6 | 176.0° | 169.9° |
| C12 | N08 | C09 | H16 | 122.2° | 117.0° |
| C12 | N08 | C09 | H17 | 116.2° | 120.9° |
| C13 | C12 | N08 | C06 | 67.1° | 113.1° |
| C13 | C12 | N08 | C09 | 64.5° | 66.9° |
| C12 | C13 | N14 | C10 | 5.7° | 1.9° |
| C12 | C13 | N14 | H5 | 119.1° | 118.8° |
| C12 | C13 | N14 | H6 | 119.0° | 118.9° |
| C13 | C12 | C11 | H1 | 59.1° | 168.5° |
| C13 | C12 | C11 | H2 | 174.3° | 64.1° |
| C12 | C13 | H5 | H6 | 122.8° | 122.2° |
| C12 | C13 | N14 | H18 | 124.7° | 118.7° |
| N08 | C06 | O05 | C02 | 165.9° | 180.0° |
| N08 | C06 | O05 | O07 | 178.8° | 179.9° |
| C06 | N08 | C09 | C10 | 137.0° | 178.1° |
| C06 | N08 | C12 | H4 | 67.0° | 16.9° |
| C06 | N08 | C09 | H16 | 103.9° | 63.0° |
| C06 | N08 | C09 | H17 | 17.8° | 59.1° |
| C09 | N08 | C06 | O05 | 160.3° | 0.0° |
| C09 | N08 | C06 | O07 | 18.5° | 179.9° |
| N08 | C09 | C10 | H16 | 119.2° | 119.0° |
| N08 | C09 | C10 | H17 | 119.2° | 119.0° |
| N08 | C09 | C10 | N14 | 72.7° | 71.2° |
| N08 | C09 | C10 | H3 | 157.1° | 159.2° |
| C09 | N08 | C12 | H4 | 161.4° | 163.2° |
| N08 | C09 | H16 | H17 | 122.4° | 122.2° |
| C02 | O05 | C06 | O07 | 15.2° | 0.0° |
| O05 | C02 | C01 | H7 | 61.5° | 180.0° |
| O05 | C02 | C01 | H8 | 58.5° | 60.1° |
| O05 | C02 | C01 | H9 | 178.5° | 60.0° |
| O05 | C02 | C03 | H10 | 61.2° | 180.0° |
| O05 | C02 | C03 | H11 | 178.8° | 60.0° |
| O05 | C02 | C03 | H12 | 58.8° | 60.0° |
| O05 | C02 | C04 | H13 | 57.5° | 60.0° |
| O05 | C02 | C04 | H14 | 62.5° | 60.0° |
| O05 | C02 | C04 | H15 | 177.5° | 180.0° |
| C06 | O05 | C02 | C04 | 71.0° | 179.9° |
| C04 | C02 | C01 | H7 | 61.7° | 60.0° |
| C04 | C02 | C01 | H8 | 178.3° | 179.9° |
| C04 | C02 | C01 | H9 | 58.3° | 60.0° |
| C04 | C02 | C03 | H10 | 59.5° | 60.0° |
| C04 | C02 | C03 | H11 | 60.5° | 60.0° |
| C04 | C02 | C03 | H12 | 179.6° | 180.0° |
| C02 | C04 | H13 | H14 | 120.0° | 120.0° |
| C02 | C04 | H13 | H15 | 120.0° | 119.9° |
| C02 | C04 | H14 | H15 | 120.0° | 120.0° |
| C09 | C10 | N14 | H3 | 129.5° | 130.1° |
| C09 | C10 | N14 | C13 | 72.2° | 66.7° |
| C09 | C10 | C11 | H1 | 173.7° | 64.3° |
| C09 | C10 | C11 | H2 | 59.7° | 168.3° |
| C10 | C09 | H16 | H17 | 122.4° | 122.1° |
| C09 | C10 | N14 | H18 | 168.8° | 172.7° |
| C10 | N14 | C13 | H18 | 119.0° | 120.6° |
| N14 | C10 | C11 | H1 | 59.9° | 170.8° |
| N14 | C10 | C11 | H2 | 173.5° | 61.7° |
| C10 | N14 | C13 | H5 | 124.8° | 116.9° |
| C10 | N14 | C13 | H6 | 113.3° | 120.8° |
| N14 | C10 | C09 | H16 | 168.1° | 47.7° |
| N14 | C10 | C09 | H17 | 46.5° | 169.8° |
| C13 | N14 | C10 | H3 | 158.3° | 163.2° |
| N14 | C13 | C12 | H4 | 160.6° | 159.3° |
| N14 | C13 | H5 | H6 | 122.8° | 122.2° |
| H1 | C11 | C10 | H3 | 65.5° | 62.4° |
| H1 | C11 | C12 | H4 | 60.4° | 64.9° |
| H2 | C11 | C10 | H3 | 61.1° | 65.0° |
| H2 | C11 | C12 | H4 | 66.2° | 62.5° |
| H3 | C10 | C09 | H16 | 37.9° | 81.8° |
| H3 | C10 | C09 | H17 | 83.7° | 40.2° |
| H3 | C10 | N14 | H18 | 39.2° | 42.6° |
| H4 | C12 | C13 | H5 | 80.3° | 81.8° |
| H4 | C12 | C13 | H6 | 41.5° | 40.4° |
| H5 | C13 | N14 | H18 | 116.2° | 122.5° |
| H6 | C13 | N14 | H18 | 5.6° | 0.2° |
| H7 | C01 | H8 | H9 | 119.9° | 120.1° |
| H10 | C03 | H11 | H12 | 120.0° | 120.0° |
| H13 | C04 | H14 | H15 | 120.0° | 120.0° |
