LNE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N9 | C10 | sing | 1.47Å | 1.46Å | |
| N9 | HN9 | sing | 1.01Å | 1.00Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C15 | sing | 1.53Å | 1.52Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| N12 | C11 | sing | 1.35Å | 1.33Å | |
| O25 | C11 | doub | 1.21Å | 1.23Å | |
| C13 | N12 | sing | 1.46Å | 1.46Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| N9 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N9 | HN9 | 109.5° | 111.0° |
| N9 | C10 | C11 | 112.1° | 109.4° |
| N9 | C10 | C15 | 104.7° | 109.5° |
| N9 | C10 | H10 | 110.8° | 109.4° |
| C10 | N9 | H2 | 109.4° | 111.0° |
| HN9 | N9 | H2 | 109.5° | 110.9° |
| C11 | C10 | C15 | 109.2° | 109.5° |
| C11 | C10 | H10 | 106.6° | 109.4° |
| C10 | C11 | N12 | 116.9° | 120.0° |
| C10 | C11 | O25 | 119.9° | 120.0° |
| C15 | C10 | H10 | 113.6° | 109.5° |
| C10 | C15 | C16 | 112.5° | 109.5° |
| C10 | C15 | H15 | 108.5° | 109.5° |
| C10 | C15 | H15A | 108.5° | 109.5° |
| N12 | C11 | O25 | 123.2° | 120.0° |
| C11 | N12 | C13 | 122.5° | 120.0° |
| C11 | N12 | HN12 | 118.8° | 120.0° |
| C13 | N12 | HN12 | 118.7° | 120.0° |
| N12 | C13 | C14 | 111.3° | 109.5° |
| N12 | C13 | H13 | 108.8° | 109.5° |
| N12 | C13 | H13A | 108.8° | 109.5° |
| C14 | C13 | H13 | 108.9° | 109.5° |
| C14 | C13 | H13A | 108.9° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H14A | 109.5° | 109.5° |
| C13 | C14 | H14B | 109.5° | 109.4° |
| H13 | C13 | H13A | 110.1° | 109.4° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.4° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.4° |
| C16 | C15 | H15 | 108.5° | 109.4° |
| C16 | C15 | H15A | 108.5° | 109.4° |
| C15 | C16 | C17 | 111.6° | 109.5° |
| C15 | C16 | C18 | 110.4° | 109.5° |
| C15 | C16 | H16 | 107.5° | 109.5° |
| H15 | C15 | H15A | 110.4° | 109.5° |
| C17 | C16 | C18 | 109.8° | 109.5° |
| C17 | C16 | H16 | 108.1° | 109.5° |
| C16 | C17 | H17 | 109.5° | 109.5° |
| C16 | C17 | H17A | 109.5° | 109.5° |
| C16 | C17 | H17B | 109.5° | 109.5° |
| C18 | C16 | H16 | 109.4° | 109.4° |
| C16 | C18 | H18 | 109.5° | 109.5° |
| C16 | C18 | H18A | 109.5° | 109.5° |
| C16 | C18 | H18B | 109.4° | 109.5° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H17 | C17 | H17B | 109.4° | 109.4° |
| H17A | C17 | H17B | 109.5° | 109.5° |
| H18 | C18 | H18A | 109.4° | 109.5° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N9 | HN9 | H2 | 120.0° | 123.9° |
| N9 | C10 | C11 | C15 | 115.6° | 120.1° |
| N9 | C10 | C11 | H10 | 121.4° | 119.9° |
| N9 | C10 | C15 | H10 | 121.1° | 120.0° |
| N9 | C10 | C11 | N12 | 34.6° | 160.0° |
| N9 | C10 | C11 | O25 | 146.0° | 20.1° |
| N9 | C10 | C15 | C16 | 178.2° | 65.0° |
| N9 | C10 | C15 | H15 | 58.2° | 55.0° |
| N9 | C10 | C15 | H15A | 61.8° | 175.0° |
| HN9 | N9 | C10 | C11 | 180.0° | 60.1° |
| HN9 | N9 | C10 | C15 | 61.8° | 59.9° |
| HN9 | N9 | C10 | H10 | 61.1° | 180.0° |
| C11 | C10 | C15 | H10 | 118.8° | 120.0° |
| C10 | C11 | N12 | O25 | 179.4° | 179.9° |
| C10 | C11 | N12 | C13 | 173.4° | 180.0° |
| C10 | C11 | N12 | HN12 | 6.6° | 0.1° |
| C11 | C10 | C15 | C16 | 61.7° | 175.0° |
| C11 | C10 | C15 | H15 | 178.4° | 65.1° |
| C11 | C10 | C15 | H15A | 58.4° | 55.0° |
| C11 | C10 | N9 | H2 | 60.0° | 176.1° |
| C15 | C10 | C11 | N12 | 80.9° | 80.0° |
| C15 | C10 | C11 | O25 | 98.5° | 100.0° |
| C10 | C15 | C16 | H15 | 120.0° | 120.0° |
| C10 | C15 | C16 | H15A | 120.0° | 120.0° |
| C10 | C15 | H15 | H15A | 118.8° | 120.1° |
| C10 | C15 | C16 | C17 | 73.4° | 175.0° |
| C10 | C15 | C16 | C18 | 164.3° | 65.0° |
| C10 | C15 | C16 | H16 | 45.1° | 55.0° |
| C15 | C10 | N9 | H2 | 178.2° | 63.9° |
| H10 | C10 | C11 | N12 | 156.0° | 40.1° |
| H10 | C10 | C11 | O25 | 24.6° | 140.0° |
| H10 | C10 | C15 | C16 | 57.1° | 55.0° |
| H10 | C10 | C15 | H15 | 62.9° | 175.0° |
| H10 | C10 | C15 | H15A | 177.1° | 65.0° |
| H10 | C10 | N9 | H2 | 58.9° | 56.2° |
| C11 | N12 | C13 | HN12 | 180.0° | 180.0° |
| C11 | N12 | C13 | C14 | 117.4° | 180.0° |
| C11 | N12 | C13 | H13 | 122.5° | 60.0° |
| C11 | N12 | C13 | H13A | 2.6° | 60.0° |
| O25 | C11 | N12 | C13 | 6.0° | 0.0° |
| O25 | C11 | N12 | HN12 | 174.0° | 180.0° |
| N12 | C13 | C14 | H13 | 120.0° | 120.1° |
| N12 | C13 | C14 | H13A | 120.0° | 120.0° |
| N12 | C13 | H13 | H13A | 119.2° | 119.9° |
| N12 | C13 | C14 | H14 | 180.0° | 180.0° |
| N12 | C13 | C14 | H14A | 60.0° | 59.9° |
| N12 | C13 | C14 | H14B | 60.0° | 60.0° |
| HN12 | N12 | C13 | C14 | 62.6° | 0.0° |
| HN12 | N12 | C13 | H13 | 57.5° | 120.1° |
| HN12 | N12 | C13 | H13A | 177.4° | 120.0° |
| C14 | C13 | H13 | H13A | 119.3° | 120.0° |
| C13 | C14 | H14 | H14A | 120.0° | 120.1° |
| C13 | C14 | H14 | H14B | 120.0° | 120.0° |
| C13 | C14 | H14A | H14B | 120.0° | 120.0° |
| H13 | C13 | C14 | H14 | 60.0° | 60.0° |
| H13 | C13 | C14 | H14A | 180.0° | 180.0° |
| H13 | C13 | C14 | H14B | 60.0° | 60.0° |
| H13A | C13 | C14 | H14 | 60.0° | 60.0° |
| H13A | C13 | C14 | H14A | 60.0° | 60.1° |
| H13A | C13 | C14 | H14B | 180.0° | 180.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| C16 | C15 | H15 | H15A | 118.7° | 119.9° |
| C15 | C16 | C17 | C18 | 122.7° | 120.0° |
| C15 | C16 | C17 | H16 | 118.1° | 120.0° |
| C15 | C16 | C18 | H16 | 118.1° | 120.0° |
| C15 | C16 | C17 | H17 | 180.0° | 60.0° |
| C15 | C16 | C17 | H17A | 60.0° | 180.0° |
| C15 | C16 | C17 | H17B | 60.0° | 60.0° |
| C15 | C16 | C18 | H18 | 180.0° | 180.0° |
| C15 | C16 | C18 | H18A | 60.0° | 60.0° |
| C15 | C16 | C18 | H18B | 60.0° | 60.0° |
| H15 | C15 | C16 | C17 | 46.7° | 55.0° |
| H15 | C15 | C16 | C18 | 75.7° | 175.0° |
| H15 | C15 | C16 | H16 | 165.1° | 65.0° |
| H15A | C15 | C16 | C17 | 166.6° | 65.0° |
| H15A | C15 | C16 | C18 | 44.3° | 55.0° |
| H15A | C15 | C16 | H16 | 75.0° | 175.0° |
| C17 | C16 | C18 | H16 | 118.5° | 120.0° |
| C16 | C17 | H17 | H17A | 120.0° | 120.0° |
| C16 | C17 | H17 | H17B | 120.0° | 120.0° |
| C16 | C17 | H17A | H17B | 120.0° | 120.0° |
| C17 | C16 | C18 | H18 | 56.6° | 60.0° |
| C17 | C16 | C18 | H18A | 63.4° | 60.0° |
| C17 | C16 | C18 | H18B | 176.6° | 180.0° |
| C18 | C16 | C17 | H17 | 57.3° | 60.1° |
| C18 | C16 | C17 | H17A | 177.3° | 60.0° |
| C18 | C16 | C17 | H17B | 62.7° | 180.0° |
| C16 | C18 | H18 | H18A | 120.0° | 120.0° |
| C16 | C18 | H18 | H18B | 120.0° | 120.0° |
| C16 | C18 | H18A | H18B | 120.0° | 120.0° |
| H16 | C16 | C17 | H17 | 62.0° | 180.0° |
| H16 | C16 | C17 | H17A | 58.1° | 60.0° |
| H16 | C16 | C17 | H17B | 178.1° | 60.0° |
| H16 | C16 | C18 | H18 | 61.9° | 60.0° |
| H16 | C16 | C18 | H18A | 178.1° | 180.0° |
| H16 | C16 | C18 | H18B | 58.2° | 60.0° |
| H17 | C17 | H17A | H17B | 119.9° | 120.0° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
