L9D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C18 | doub | 1.21Å | 1.27Å | |
| O19 | C18 | sing | 1.34Å | 1.27Å | |
| C18 | C11 | sing | 1.51Å | 1.54Å | |
| O13 | C12 | sing | 1.43Å | 1.40Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | C09 | sing | 1.53Å | 1.55Å | |
| C12 | C14 | sing | 1.53Å | 1.52Å | |
| C09 | N10 | sing | 1.47Å | 1.46Å | |
| C09 | C08 | sing | 1.53Å | 1.54Å | |
| C14 | O15 | sing | 1.43Å | 1.40Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C08 | C16 | sing | 1.53Å | 1.55Å | |
| C16 | O17 | sing | 1.43Å | 1.41Å | |
| C08 | H1 | sing | 1.09Å | 1.10Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| N10 | H8 | sing | 1.01Å | 1.00Å | |
| N10 | H9 | sing | 1.01Å | 1.00Å | |
| O13 | H11 | sing | 0.97Å | 0.95Å | |
| O15 | H12 | sing | 0.97Å | 0.95Å | |
| O17 | H13 | sing | 0.97Å | 0.95Å | |
| O19 | H14 | sing | 0.97Å | 0.95Å | |
| C08 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C18 | O19 | 119.8° | 120.0° |
| O20 | C18 | C11 | 120.7° | 120.0° |
| O19 | C18 | C11 | 119.5° | 120.0° |
| C18 | O19 | H14 | 109.5° | 117.0° |
| C18 | C11 | C12 | 113.0° | 109.5° |
| C18 | C11 | C09 | 109.4° | 109.5° |
| C18 | C11 | H4 | 107.6° | 109.5° |
| O13 | C12 | C11 | 112.5° | 109.4° |
| O13 | C12 | C14 | 109.7° | 109.5° |
| O13 | C12 | H5 | 109.1° | 109.5° |
| C12 | O13 | H11 | 109.5° | 114.0° |
| C12 | C11 | C09 | 111.6° | 109.4° |
| C11 | C12 | C14 | 110.5° | 109.5° |
| C12 | C11 | H4 | 107.5° | 109.5° |
| C11 | C12 | H5 | 107.3° | 109.5° |
| C11 | C09 | N10 | 110.2° | 109.5° |
| C11 | C09 | C08 | 111.3° | 109.5° |
| C11 | C09 | H3 | 107.9° | 109.4° |
| C09 | C11 | H4 | 107.5° | 109.5° |
| C12 | C14 | O15 | 108.5° | 109.5° |
| C12 | C14 | C16 | 108.1° | 109.5° |
| C14 | C12 | H5 | 107.6° | 109.5° |
| C12 | C14 | H6 | 109.3° | 109.5° |
| N10 | C09 | C08 | 110.3° | 109.5° |
| N10 | C09 | H3 | 109.0° | 109.5° |
| C09 | N10 | H8 | 109.5° | 111.0° |
| C09 | N10 | H9 | 109.5° | 111.0° |
| C09 | C08 | C16 | 107.8° | 109.5° |
| C09 | C08 | H1 | 108.0° | 109.4° |
| C08 | C09 | H3 | 108.0° | 109.5° |
| C09 | C08 | O1 | 105.7° | 109.5° |
| O15 | C14 | C16 | 110.6° | 109.4° |
| O15 | C14 | H6 | 111.1° | 109.5° |
| C14 | O15 | H12 | 109.5° | 114.0° |
| C14 | C16 | C08 | 112.5° | 109.4° |
| C14 | C16 | O17 | 111.9° | 109.5° |
| C16 | C14 | H6 | 109.2° | 109.5° |
| C14 | C16 | H7 | 105.8° | 109.5° |
| C08 | C16 | O17 | 113.1° | 109.5° |
| C16 | C08 | H1 | 107.9° | 109.5° |
| C08 | C16 | H7 | 105.6° | 109.5° |
| C16 | C08 | O1 | 117.6° | 109.5° |
| O17 | C16 | H7 | 107.3° | 109.5° |
| C16 | O17 | H13 | 109.5° | 114.0° |
| H1 | C08 | O1 | 109.5° | 109.4° |
| H8 | N10 | H9 | 109.4° | 111.0° |
| C08 | O1 | H2 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C18 | O19 | C11 | 179.3° | 180.0° |
| O20 | C18 | C11 | C12 | 104.8° | 120.0° |
| O20 | C18 | C11 | C09 | 130.3° | 0.1° |
| O20 | C18 | C11 | H4 | 13.7° | 120.0° |
| O20 | C18 | O19 | H14 | 0.0° | 0.0° |
| O19 | C18 | C11 | C12 | 75.9° | 60.0° |
| O19 | C18 | C11 | C09 | 49.0° | 180.0° |
| O19 | C18 | C11 | H4 | 165.6° | 60.0° |
| C18 | C11 | C12 | O13 | 56.7° | 60.0° |
| C18 | C11 | C12 | C09 | 123.8° | 120.0° |
| C18 | C11 | C12 | H4 | 118.6° | 120.0° |
| C18 | C11 | C09 | H4 | 116.6° | 120.0° |
| C18 | C11 | C12 | C14 | 179.6° | 180.0° |
| C18 | C11 | C09 | N10 | 58.5° | 60.0° |
| C18 | C11 | C09 | C08 | 178.7° | 180.0° |
| C18 | C11 | C09 | H3 | 60.4° | 60.0° |
| C18 | C11 | C12 | H5 | 63.4° | 60.0° |
| C11 | C18 | O19 | H14 | 179.3° | 180.0° |
| O13 | C12 | C11 | C14 | 123.0° | 120.0° |
| O13 | C12 | C11 | H5 | 120.0° | 120.0° |
| O13 | C12 | C11 | C09 | 179.6° | 180.0° |
| O13 | C12 | C14 | H5 | 118.6° | 120.0° |
| O13 | C12 | C14 | O15 | 57.2° | 60.0° |
| O13 | C12 | C14 | C16 | 177.2° | 180.0° |
| O13 | C12 | C11 | H4 | 61.9° | 60.0° |
| O13 | C12 | C14 | H6 | 64.0° | 60.0° |
| C12 | C11 | C09 | H4 | 117.6° | 120.0° |
| C11 | C12 | C14 | H5 | 116.8° | 120.0° |
| C12 | C11 | C09 | N10 | 67.3° | 60.0° |
| C12 | C11 | C09 | C08 | 55.5° | 60.0° |
| C11 | C12 | C14 | O15 | 178.2° | 180.0° |
| C11 | C12 | C14 | C16 | 58.2° | 60.0° |
| C12 | C11 | C09 | H3 | 173.8° | 180.0° |
| C11 | C12 | C14 | H6 | 60.6° | 60.0° |
| C11 | C12 | O13 | H11 | 180.0° | 180.0° |
| C09 | C11 | C12 | C14 | 56.6° | 60.0° |
| C11 | C09 | N10 | C08 | 123.3° | 120.0° |
| C11 | C09 | N10 | H3 | 118.2° | 119.9° |
| C11 | C09 | C08 | H3 | 118.2° | 119.9° |
| C11 | C09 | C08 | C16 | 55.4° | 60.1° |
| C11 | C09 | C08 | H1 | 171.8° | 179.9° |
| C09 | C11 | C12 | H5 | 60.4° | 60.0° |
| C11 | C09 | N10 | H8 | 180.0° | 179.9° |
| C11 | C09 | N10 | H9 | 60.0° | 56.0° |
| C11 | C09 | C08 | O1 | 71.2° | 60.0° |
| C12 | C14 | O15 | C16 | 118.5° | 120.0° |
| C12 | C14 | O15 | H6 | 120.2° | 120.0° |
| C12 | C14 | C16 | H6 | 118.8° | 120.0° |
| C12 | C14 | C16 | C08 | 61.6° | 60.0° |
| C12 | C14 | C16 | O17 | 169.8° | 180.0° |
| C14 | C12 | C11 | H4 | 61.1° | 60.0° |
| C12 | C14 | C16 | H7 | 53.3° | 60.0° |
| C14 | C12 | O13 | H11 | 56.6° | 60.0° |
| C12 | C14 | O15 | H12 | 180.0° | 180.0° |
| N10 | C09 | C08 | H3 | 119.1° | 120.0° |
| N10 | C09 | C08 | C16 | 67.3° | 60.0° |
| N10 | C09 | C08 | H1 | 49.1° | 60.0° |
| N10 | C09 | C11 | H4 | 175.1° | 180.0° |
| C09 | N10 | H8 | H9 | 120.0° | 123.9° |
| N10 | C09 | C08 | O1 | 166.2° | 179.9° |
| C09 | C08 | C16 | C14 | 59.9° | 60.0° |
| C09 | C08 | C16 | H1 | 116.4° | 120.0° |
| C09 | C08 | C16 | O1 | 119.2° | 120.1° |
| C09 | C08 | C16 | O17 | 172.1° | 180.0° |
| C09 | C08 | H1 | O1 | 114.6° | 120.0° |
| C08 | C09 | C11 | H4 | 62.1° | 59.9° |
| C09 | C08 | C16 | H7 | 55.1° | 60.0° |
| C08 | C09 | N10 | H8 | 56.7° | 60.0° |
| C08 | C09 | N10 | H9 | 176.6° | 176.0° |
| C09 | C08 | O1 | H2 | 180.0° | 179.9° |
| O15 | C14 | C16 | H6 | 122.5° | 120.0° |
| O15 | C14 | C16 | C08 | 179.7° | 180.0° |
| O15 | C14 | C16 | O17 | 51.1° | 60.0° |
| O15 | C14 | C12 | H5 | 61.4° | 60.0° |
| O15 | C14 | C16 | H7 | 65.4° | 60.0° |
| C14 | C16 | C08 | O17 | 128.0° | 120.0° |
| C14 | C16 | C08 | H7 | 115.0° | 120.0° |
| C14 | C16 | O17 | H7 | 115.6° | 120.0° |
| C14 | C16 | C08 | H1 | 176.3° | 180.0° |
| C16 | C14 | C12 | H5 | 58.6° | 60.0° |
| C16 | C14 | O15 | H12 | 61.5° | 60.0° |
| C14 | C16 | O17 | H13 | 180.0° | 60.0° |
| C14 | C16 | C08 | O1 | 59.3° | 60.0° |
| C08 | C16 | O17 | H7 | 116.0° | 120.0° |
| C16 | C08 | H1 | O1 | 129.2° | 120.0° |
| C16 | C08 | C09 | H3 | 173.7° | 180.0° |
| C08 | C16 | C14 | H6 | 57.2° | 60.0° |
| C08 | C16 | O17 | H13 | 51.7° | 180.0° |
| C16 | C08 | O1 | H2 | 59.7° | 59.9° |
| O17 | C16 | C08 | H1 | 55.7° | 60.0° |
| O17 | C16 | C14 | H6 | 71.4° | 60.0° |
| O17 | C16 | C08 | O1 | 68.7° | 59.9° |
| H1 | C08 | C09 | H3 | 70.0° | 60.0° |
| H1 | C08 | C16 | H7 | 61.3° | 60.0° |
| H1 | C08 | O1 | H2 | 63.9° | 60.1° |
| H3 | C09 | C11 | H4 | 56.2° | 60.0° |
| H3 | C09 | N10 | H8 | 61.8° | 60.0° |
| H3 | C09 | N10 | H9 | 58.2° | 64.0° |
| H3 | C09 | C08 | O1 | 47.1° | 59.9° |
| H4 | C11 | C12 | H5 | 178.1° | 180.0° |
| H5 | C12 | C14 | H6 | 177.4° | 180.0° |
| H5 | C12 | O13 | H11 | 61.1° | 60.0° |
| H6 | C14 | C16 | H7 | 172.1° | 180.0° |
| H6 | C14 | O15 | H12 | 59.9° | 60.0° |
| H7 | C16 | O17 | H13 | 64.4° | 60.0° |
| H7 | C16 | C08 | O1 | 174.3° | 180.0° |
