LP9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C | H | sing | 1.08Å | 1.08Å | |
| N | C3 | sing | 1.33Å | 1.35Å | Aromatic |
| O | C8 | sing | 1.35Å | 1.35Å | |
| O | H20 | sing | 0.97Å | 0.95Å | |
| C1 | C | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | N | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | N5 | sing | 1.38Å | 1.37Å | |
| C4 | C3 | doub | 1.41Å | 1.40Å | Aromatic |
| C4 | C8 | sing | 1.47Å | 1.41Å | |
| N5 | C6 | sing | 1.34Å | 1.37Å | |
| N5 | O12 | sing | 1.42Å | 1.42Å | |
| C6 | O11 | doub | 1.22Å | 1.34Å | |
| C7 | C6 | sing | 1.46Å | 1.44Å | |
| C7 | C9 | sing | 1.47Å | 1.54Å | |
| C8 | C7 | doub | 1.40Å | 1.44Å | |
| C9 | O10 | doub | 1.22Å | 1.23Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| O13 | C1 | sing | 1.36Å | 1.33Å | |
| C14 | O13 | sing | 1.36Å | 1.33Å | |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N20 | C17 | sing | 1.40Å | 1.33Å | |
| N20 | C23 | sing | 1.47Å | 1.49Å | |
| C21 | N20 | sing | 1.46Å | 1.47Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H211 | sing | 1.09Å | 1.10Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H221 | sing | 1.09Å | 1.10Å | |
| O25 | C9 | sing | 1.35Å | 1.37Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H231 | sing | 1.09Å | 1.10Å | |
| C27 | O25 | sing | 1.45Å | 1.48Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H241 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C | H | 118.7° | 121.0° |
| C4 | C | C1 | 122.6° | 118.1° |
| C | C4 | C3 | 118.1° | 119.4° |
| C | C4 | C8 | 123.3° | 120.7° |
| H | C | C1 | 118.7° | 120.9° |
| C3 | N | C2 | 123.6° | 121.8° |
| N | C3 | N5 | 121.8° | 119.9° |
| N | C3 | C4 | 118.7° | 119.9° |
| C8 | O | H20 | 109.5° | 114.0° |
| O | C8 | C4 | 116.2° | 120.9° |
| O | C8 | C7 | 123.1° | 120.9° |
| C | C1 | C2 | 116.8° | 119.2° |
| C | C1 | O13 | 122.3° | 120.4° |
| C1 | C2 | N | 120.1° | 121.6° |
| C1 | C2 | H2 | 120.0° | 119.2° |
| C2 | C1 | O13 | 120.9° | 120.4° |
| N | C2 | H2 | 119.9° | 119.3° |
| N5 | C3 | C4 | 119.5° | 120.2° |
| C3 | N5 | C6 | 125.7° | 121.9° |
| C3 | N5 | O12 | 117.6° | 119.0° |
| C3 | C4 | C8 | 118.6° | 119.8° |
| C4 | C8 | C7 | 120.7° | 118.2° |
| C6 | N5 | O12 | 116.7° | 119.1° |
| N5 | C6 | O11 | 119.2° | 119.5° |
| N5 | C6 | C7 | 116.9° | 121.0° |
| N5 | O12 | HO12 | 109.5° | 114.0° |
| O11 | C6 | C7 | 123.9° | 119.5° |
| C6 | C7 | C9 | 121.7° | 120.5° |
| C6 | C7 | C8 | 118.6° | 118.9° |
| C9 | C7 | C8 | 119.7° | 120.6° |
| C7 | C9 | O10 | 121.0° | 120.0° |
| C7 | C9 | O25 | 113.2° | 120.0° |
| O10 | C9 | O25 | 125.8° | 120.0° |
| C1 | O13 | C14 | 124.1° | 118.0° |
| O13 | C14 | C15 | 117.3° | 120.0° |
| O13 | C14 | C19 | 124.1° | 119.9° |
| C14 | C15 | H15 | 120.2° | 120.0° |
| C14 | C15 | C16 | 119.6° | 120.1° |
| C15 | C14 | C19 | 118.6° | 120.0° |
| H15 | C15 | C16 | 120.2° | 120.0° |
| C15 | C16 | H16 | 118.6° | 120.0° |
| C15 | C16 | C17 | 122.7° | 120.0° |
| H16 | C16 | C17 | 118.6° | 120.0° |
| C16 | C17 | C18 | 116.9° | 119.9° |
| C16 | C17 | N20 | 119.6° | 120.0° |
| C17 | C18 | C19 | 120.6° | 120.0° |
| C17 | C18 | H18 | 119.7° | 120.0° |
| C18 | C17 | N20 | 123.3° | 120.0° |
| C19 | C18 | H18 | 119.7° | 120.0° |
| C18 | C19 | C14 | 121.5° | 120.0° |
| C18 | C19 | H19 | 119.3° | 120.0° |
| C14 | C19 | H19 | 119.3° | 120.0° |
| C17 | N20 | C23 | 116.3° | 120.0° |
| C17 | N20 | C21 | 121.7° | 120.0° |
| C23 | N20 | C21 | 121.5° | 120.0° |
| N20 | C23 | H23 | 106.3° | 109.4° |
| N20 | C23 | H211 | 106.3° | 109.5° |
| N20 | C23 | C24 | 119.5° | 109.4° |
| N20 | C21 | H21 | 108.2° | 109.5° |
| N20 | C21 | H21A | 108.1° | 109.4° |
| N20 | C21 | C22 | 113.6° | 109.5° |
| H21 | C21 | H21A | 110.8° | 109.5° |
| H21 | C21 | C22 | 108.1° | 109.5° |
| H21A | C21 | C22 | 108.1° | 109.4° |
| C21 | C22 | H22 | 109.5° | 109.5° |
| C21 | C22 | H22A | 109.5° | 109.4° |
| C21 | C22 | H22B | 109.5° | 109.5° |
| H22 | C22 | H22A | 109.5° | 109.5° |
| H22 | C22 | H22B | 109.5° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.4° |
| H23 | C23 | H211 | 112.5° | 109.5° |
| H23 | C23 | C24 | 106.3° | 109.5° |
| H211 | C23 | C24 | 106.3° | 109.5° |
| C23 | C24 | H24 | 109.5° | 109.5° |
| C23 | C24 | H24A | 109.5° | 109.5° |
| C23 | C24 | H221 | 109.5° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H24 | C24 | H221 | 109.5° | 109.5° |
| H24A | C24 | H221 | 109.5° | 109.5° |
| C9 | O25 | C27 | 120.8° | 117.0° |
| C27 | C26 | H26 | 109.5° | 109.4° |
| C27 | C26 | H26A | 109.5° | 109.4° |
| C27 | C26 | H231 | 109.5° | 109.5° |
| C26 | C27 | O25 | 115.9° | 109.4° |
| C26 | C27 | H27 | 107.4° | 109.5° |
| C26 | C27 | H241 | 107.4° | 109.4° |
| H26 | C26 | H26A | 109.4° | 109.5° |
| H26 | C26 | H231 | 109.5° | 109.5° |
| H26A | C26 | H231 | 109.5° | 109.5° |
| O25 | C27 | H27 | 107.4° | 109.5° |
| O25 | C27 | H241 | 107.4° | 109.5° |
| H27 | C27 | H241 | 111.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C | H | C1 | 180.0° | 179.7° |
| C | C4 | C3 | N | 1.6° | 0.6° |
| C | C4 | C8 | O | 0.1° | 0.0° |
| C4 | C | C1 | C2 | 1.2° | 0.0° |
| C | C4 | C3 | N5 | 178.6° | 180.0° |
| C | C4 | C3 | C8 | 179.7° | 180.0° |
| C | C4 | C8 | C7 | 178.5° | 180.0° |
| C4 | C | C1 | O13 | 179.5° | 180.0° |
| H | C | C1 | C2 | 178.8° | 179.7° |
| H | C | C4 | C3 | 178.4° | 180.0° |
| H | C | C4 | C8 | 1.3° | 0.0° |
| H | C | C1 | O13 | 0.5° | 0.3° |
| C3 | N | C2 | C1 | 1.0° | 0.3° |
| C3 | N | C2 | H2 | 179.0° | 179.7° |
| N | C3 | N5 | C4 | 179.8° | 179.4° |
| N | C3 | C4 | C8 | 178.7° | 179.4° |
| N | C3 | N5 | C6 | 179.1° | 180.0° |
| N | C3 | N5 | O12 | 0.5° | 0.0° |
| O | C8 | C4 | C3 | 179.6° | 180.0° |
| O | C8 | C4 | C7 | 178.4° | 179.9° |
| O | C8 | C7 | C6 | 179.1° | 179.5° |
| O | C8 | C7 | C9 | 1.2° | 0.7° |
| H20 | O | C8 | C4 | 180.0° | 174.4° |
| H20 | O | C8 | C7 | 1.6° | 5.7° |
| C | C1 | C2 | O13 | 179.3° | 179.9° |
| C | C1 | C2 | N | 0.9° | 0.0° |
| C | C1 | C2 | H2 | 179.1° | 180.0° |
| C1 | C | C4 | C3 | 1.6° | 0.3° |
| C1 | C | C4 | C8 | 178.8° | 179.7° |
| C | C1 | O13 | C14 | 147.7° | 5.9° |
| C1 | C2 | N | H2 | 180.0° | 180.0° |
| C2 | C1 | O13 | C14 | 33.1° | 174.2° |
| C2 | N | C3 | N5 | 178.8° | 180.0° |
| C2 | N | C3 | C4 | 1.4° | 0.6° |
| N | C2 | C1 | O13 | 179.8° | 179.9° |
| H2 | C2 | C1 | O13 | 0.2° | 0.1° |
| N5 | C3 | C4 | C8 | 1.1° | 0.0° |
| C3 | N5 | C6 | O12 | 178.6° | 180.0° |
| C3 | N5 | C6 | O11 | 178.9° | 180.0° |
| C3 | N5 | C6 | C7 | 0.3° | 1.2° |
| C3 | N5 | O12 | HO12 | 178.9° | 180.0° |
| C4 | C3 | N5 | C6 | 0.7° | 0.6° |
| C4 | C3 | N5 | O12 | 179.3° | 179.4° |
| C3 | C4 | C8 | C7 | 1.1° | 0.0° |
| C4 | C8 | C7 | C6 | 0.7° | 0.6° |
| C4 | C8 | C7 | C9 | 179.5° | 179.4° |
| N5 | C6 | O11 | C7 | 179.2° | 178.8° |
| N5 | C6 | C7 | C9 | 179.9° | 180.0° |
| N5 | C6 | C7 | C8 | 0.3° | 1.2° |
| C6 | N5 | O12 | HO12 | 0.2° | 0.0° |
| O12 | N5 | C6 | O11 | 0.3° | 0.0° |
| O12 | N5 | C6 | C7 | 178.9° | 178.8° |
| O11 | C6 | C7 | C9 | 0.9° | 1.2° |
| O11 | C6 | C7 | C8 | 178.9° | 180.0° |
| C6 | C7 | C9 | C8 | 179.8° | 178.8° |
| C6 | C7 | C9 | O10 | 46.9° | 172.6° |
| C6 | C7 | C9 | O25 | 132.6° | 7.4° |
| C7 | C9 | O10 | O25 | 179.4° | 179.9° |
| C7 | C9 | O25 | C27 | 128.5° | 180.0° |
| C8 | C7 | C9 | O10 | 132.9° | 6.2° |
| C8 | C7 | C9 | O25 | 47.6° | 173.8° |
| O10 | C9 | O25 | C27 | 52.1° | 0.1° |
| C1 | O13 | C14 | C15 | 76.7° | 66.7° |
| C1 | O13 | C14 | C19 | 106.0° | 113.6° |
| O13 | C14 | C15 | C19 | 177.5° | 179.7° |
| O13 | C14 | C15 | H15 | 1.1° | 0.1° |
| O13 | C14 | C15 | C16 | 178.9° | 180.0° |
| O13 | C14 | C19 | C18 | 178.8° | 179.7° |
| O13 | C14 | C19 | H19 | 1.2° | 0.2° |
| C14 | C15 | H15 | C16 | 180.0° | 179.9° |
| C14 | C15 | C16 | H16 | 178.1° | 180.0° |
| C14 | C15 | C16 | C17 | 2.0° | 0.0° |
| C15 | C14 | C19 | C18 | 1.5° | 0.5° |
| C15 | C14 | C19 | H19 | 178.5° | 179.9° |
| H15 | C15 | C16 | H16 | 1.9° | 0.1° |
| H15 | C15 | C16 | C17 | 178.0° | 179.9° |
| H15 | C15 | C14 | C19 | 178.6° | 179.7° |
| C15 | C16 | H16 | C17 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 2.5° | 0.0° |
| C16 | C15 | C14 | C19 | 1.4° | 0.3° |
| C15 | C16 | C17 | N20 | 177.8° | 179.9° |
| H16 | C16 | C17 | C18 | 177.6° | 180.0° |
| H16 | C16 | C17 | N20 | 2.3° | 0.0° |
| C16 | C17 | C18 | N20 | 175.1° | 179.9° |
| C16 | C17 | C18 | C19 | 2.5° | 0.3° |
| C16 | C17 | C18 | H18 | 177.5° | 180.0° |
| C16 | C17 | N20 | C23 | 136.8° | 180.0° |
| C16 | C17 | N20 | C21 | 34.8° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C17 | C18 | C19 | C14 | 2.1° | 0.5° |
| C17 | C18 | C19 | H19 | 177.9° | 179.9° |
| C18 | C17 | N20 | C23 | 38.2° | 0.1° |
| C18 | C17 | N20 | C21 | 150.2° | 180.0° |
| C18 | C19 | C14 | H19 | 180.0° | 179.5° |
| C19 | C18 | C17 | N20 | 177.6° | 179.8° |
| H18 | C18 | C19 | C14 | 177.9° | 179.7° |
| H18 | C18 | C19 | H19 | 2.1° | 0.2° |
| H18 | C18 | C17 | N20 | 2.4° | 0.0° |
| C17 | N20 | C23 | C21 | 171.7° | 180.0° |
| C17 | N20 | C21 | H21 | 28.0° | 150.0° |
| C17 | N20 | C21 | H21A | 148.0° | 30.0° |
| C17 | N20 | C21 | C22 | 92.0° | 89.9° |
| C17 | N20 | C23 | H23 | 117.8° | 150.0° |
| C17 | N20 | C23 | H211 | 2.2° | 30.0° |
| C17 | N20 | C23 | C24 | 122.2° | 90.0° |
| C23 | N20 | C21 | H21 | 143.2° | 30.0° |
| C23 | N20 | C21 | H21A | 23.2° | 150.0° |
| C23 | N20 | C21 | C22 | 96.8° | 90.0° |
| N20 | C23 | H23 | H211 | 115.9° | 120.0° |
| N20 | C23 | H23 | C24 | 128.2° | 119.9° |
| N20 | C23 | H211 | C24 | 128.2° | 120.0° |
| N20 | C23 | C24 | H24 | 180.0° | 60.0° |
| N20 | C23 | C24 | H24A | 60.0° | 60.0° |
| N20 | C23 | C24 | H221 | 60.0° | 180.0° |
| N20 | C21 | H21 | H21A | 118.3° | 120.0° |
| N20 | C21 | H21 | C22 | 123.4° | 120.1° |
| N20 | C21 | H21A | C22 | 123.4° | 120.0° |
| N20 | C21 | C22 | H22 | 180.0° | 59.9° |
| N20 | C21 | C22 | H22A | 60.0° | 60.1° |
| N20 | C21 | C22 | H22B | 60.0° | 180.0° |
| C21 | N20 | C23 | H23 | 53.8° | 29.9° |
| C21 | N20 | C23 | H211 | 173.9° | 150.0° |
| C21 | N20 | C23 | C24 | 66.1° | 90.0° |
| H21 | C21 | H21A | C22 | 118.3° | 120.0° |
| H21 | C21 | C22 | H22 | 60.0° | 180.0° |
| H21 | C21 | C22 | H22A | 180.0° | 60.0° |
| H21 | C21 | C22 | H22B | 60.0° | 59.9° |
| H21A | C21 | C22 | H22 | 60.0° | 60.0° |
| H21A | C21 | C22 | H22A | 60.0° | 180.0° |
| H21A | C21 | C22 | H22B | 180.0° | 60.1° |
| C21 | C22 | H22 | H22A | 120.0° | 120.0° |
| C21 | C22 | H22 | H22B | 120.0° | 120.1° |
| C21 | C22 | H22A | H22B | 120.0° | 120.0° |
| H22 | C22 | H22A | H22B | 120.0° | 120.0° |
| H23 | C23 | H211 | C24 | 115.9° | 120.0° |
| H23 | C23 | C24 | H24 | 60.0° | 179.9° |
| H23 | C23 | C24 | H24A | 180.0° | 59.9° |
| H23 | C23 | C24 | H221 | 60.0° | 60.1° |
| H211 | C23 | C24 | H24 | 60.0° | 60.0° |
| H211 | C23 | C24 | H24A | 60.0° | 180.0° |
| H211 | C23 | C24 | H221 | 180.0° | 60.0° |
| C23 | C24 | H24 | H24A | 120.0° | 120.0° |
| C23 | C24 | H24 | H221 | 120.0° | 120.0° |
| C23 | C24 | H24A | H221 | 120.0° | 120.0° |
| H24 | C24 | H24A | H221 | 120.0° | 120.0° |
| C9 | O25 | C27 | C26 | 94.6° | 179.9° |
| C9 | O25 | C27 | H27 | 25.4° | 60.1° |
| C9 | O25 | C27 | H241 | 145.3° | 60.0° |
| C27 | C26 | H26 | H26A | 120.0° | 119.9° |
| C27 | C26 | H26 | H231 | 120.0° | 120.0° |
| C27 | C26 | H26A | H231 | 120.0° | 120.0° |
| C26 | C27 | O25 | H27 | 120.0° | 120.0° |
| C26 | C27 | O25 | H241 | 120.0° | 119.9° |
| C26 | C27 | H27 | H241 | 117.4° | 120.0° |
| H26 | C26 | H26A | H231 | 120.0° | 120.1° |
| H26 | C26 | C27 | O25 | 180.0° | 60.0° |
| H26 | C26 | C27 | H27 | 60.0° | 60.0° |
| H26 | C26 | C27 | H241 | 60.0° | 180.0° |
| H26A | C26 | C27 | O25 | 60.0° | 180.0° |
| H26A | C26 | C27 | H27 | 60.0° | 60.0° |
| H26A | C26 | C27 | H241 | 180.0° | 60.0° |
| H231 | C26 | C27 | O25 | 60.0° | 60.0° |
| H231 | C26 | C27 | H27 | 180.0° | 180.0° |
| H231 | C26 | C27 | H241 | 60.0° | 60.0° |
| O25 | C27 | H27 | H241 | 117.4° | 120.1° |
