LZT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C1 | sing | 1.51Å | 1.53Å | |
| C8 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | O4 | sing | 1.36Å | 1.36Å | |
| O4 | C5 | sing | 1.43Å | 1.41Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C7 | C6 | doub | 1.36Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | sing | 1.41Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | sing | 1.47Å | 1.40Å | |
| O10 | C9 | doub | 1.21Å | 1.23Å | |
| C11 | C9 | sing | 1.51Å | 1.54Å | |
| C11 | C12 | sing | 1.54Å | 1.52Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C42 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C20 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C21 | sing | 1.51Å | 1.51Å | |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | N22 | sing | 1.46Å | 1.47Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| N22 | C23 | sing | 1.35Å | 1.33Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| C23 | O24 | doub | 1.21Å | 1.24Å | |
| C23 | C25 | sing | 1.51Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | N27 | sing | 1.46Å | 1.47Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | C28 | sing | 1.53Å | 1.54Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| N27 | C29 | sing | 1.35Å | 1.33Å | |
| N27 | HN27 | sing | 0.97Å | 1.00Å | |
| C36 | C28 | sing | 1.51Å | 1.52Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| O30 | C29 | doub | 1.21Å | 1.23Å | |
| C29 | C31 | sing | 1.51Å | 1.52Å | |
| C33 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | N32 | sing | 1.47Å | 1.47Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| N32 | C42 | sing | 1.35Å | 1.33Å | |
| N32 | HN32 | sing | 0.97Å | 1.00Å | |
| C35 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | O34 | sing | 1.43Å | 1.43Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| O34 | HO34 | sing | 0.97Å | 0.95Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C37 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C41 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| O43 | C42 | doub | 1.21Å | 1.23Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C1 | C8 | 108.6° | 109.6° |
| C12 | C1 | C2 | 130.7° | 130.5° |
| C1 | C12 | C11 | 101.8° | 106.3° |
| C1 | C12 | C13 | 108.8° | 110.4° |
| C1 | C12 | H12 | 117.9° | 109.7° |
| C8 | C1 | C2 | 120.6° | 119.9° |
| C1 | C8 | C7 | 120.4° | 119.4° |
| C1 | C8 | C9 | 105.5° | 110.6° |
| C1 | C2 | C3 | 119.8° | 120.1° |
| C1 | C2 | H2 | 120.1° | 120.0° |
| C3 | C2 | H2 | 120.1° | 119.9° |
| C2 | C3 | C6 | 120.9° | 120.1° |
| C2 | C3 | O4 | 114.6° | 120.0° |
| C6 | C3 | O4 | 124.5° | 120.0° |
| C3 | C6 | C7 | 119.0° | 120.2° |
| C3 | C6 | H6 | 120.5° | 119.9° |
| C3 | O4 | C5 | 109.9° | 117.0° |
| O4 | C5 | H5 | 109.5° | 109.5° |
| O4 | C5 | H5A | 109.5° | 109.5° |
| O4 | C5 | H5B | 109.4° | 109.5° |
| H5 | C5 | H5A | 109.4° | 109.5° |
| H5 | C5 | H5B | 109.5° | 109.4° |
| H5A | C5 | H5B | 109.5° | 109.5° |
| C7 | C6 | H6 | 120.5° | 119.9° |
| C6 | C7 | C8 | 119.3° | 120.3° |
| C6 | C7 | H7 | 120.3° | 119.9° |
| C8 | C7 | H7 | 120.3° | 119.8° |
| C7 | C8 | C9 | 134.1° | 130.0° |
| C8 | C9 | O10 | 125.1° | 125.9° |
| C8 | C9 | C11 | 109.4° | 108.2° |
| O10 | C9 | C11 | 125.4° | 125.9° |
| C9 | C11 | C12 | 94.7° | 105.4° |
| C9 | C11 | H11 | 114.7° | 110.3° |
| C9 | C11 | H11A | 114.7° | 110.2° |
| C12 | C11 | H11 | 114.7° | 110.5° |
| C12 | C11 | H11A | 114.7° | 110.0° |
| C11 | C12 | C13 | 117.7° | 110.1° |
| C11 | C12 | H12 | 109.2° | 110.1° |
| H11 | C11 | H11A | 103.8° | 110.3° |
| C13 | C12 | H12 | 102.2° | 110.1° |
| C12 | C13 | C42 | 112.2° | 109.5° |
| C12 | C13 | H13 | 108.5° | 109.5° |
| C12 | C13 | H13A | 108.6° | 109.5° |
| C42 | C13 | H13 | 108.6° | 109.4° |
| C42 | C13 | H13A | 108.6° | 109.5° |
| C13 | C42 | N32 | 116.6° | 120.0° |
| C13 | C42 | O43 | 119.0° | 119.9° |
| H13 | C13 | H13A | 110.4° | 109.4° |
| C15 | C14 | H14 | 109.5° | 109.5° |
| C15 | C14 | H14A | 109.5° | 109.5° |
| C15 | C14 | H14B | 109.4° | 109.6° |
| C14 | C15 | C20 | 119.4° | 120.1° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| H14 | C14 | H14A | 109.5° | 109.4° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.4° |
| C20 | C15 | C16 | 120.3° | 120.0° |
| C15 | C20 | C19 | 120.3° | 120.0° |
| C15 | C20 | H20 | 119.8° | 120.0° |
| C15 | C16 | C17 | 119.4° | 120.0° |
| C15 | C16 | H16 | 120.3° | 120.0° |
| C17 | C16 | H16 | 120.3° | 120.0° |
| C16 | C17 | C18 | 119.8° | 120.0° |
| C16 | C17 | H17 | 120.1° | 120.0° |
| C18 | C17 | H17 | 120.1° | 120.0° |
| C17 | C18 | C19 | 120.9° | 120.0° |
| C17 | C18 | C21 | 120.3° | 120.0° |
| C19 | C18 | C21 | 118.8° | 120.0° |
| C18 | C19 | C20 | 119.3° | 120.0° |
| C18 | C19 | H19 | 120.3° | 120.0° |
| C18 | C21 | N22 | 113.0° | 109.5° |
| C18 | C21 | H21 | 108.3° | 109.4° |
| C18 | C21 | H21A | 108.3° | 109.4° |
| C20 | C19 | H19 | 120.4° | 120.0° |
| C19 | C20 | H20 | 119.9° | 120.0° |
| N22 | C21 | H21 | 108.3° | 109.5° |
| N22 | C21 | H21A | 108.3° | 109.5° |
| C21 | N22 | C23 | 121.0° | 120.0° |
| C21 | N22 | HN22 | 119.5° | 120.0° |
| H21 | C21 | H21A | 110.6° | 109.5° |
| C23 | N22 | HN22 | 119.4° | 120.0° |
| N22 | C23 | O24 | 124.7° | 120.0° |
| N22 | C23 | C25 | 114.6° | 120.0° |
| O24 | C23 | C25 | 120.7° | 120.0° |
| C23 | C25 | C26 | 108.8° | 109.5° |
| C23 | C25 | N27 | 107.1° | 109.5° |
| C23 | C25 | H25 | 111.6° | 109.5° |
| C26 | C25 | N27 | 109.9° | 109.5° |
| C26 | C25 | H25 | 108.9° | 109.4° |
| C25 | C26 | C28 | 110.9° | 109.4° |
| C25 | C26 | H26 | 109.0° | 109.4° |
| C25 | C26 | H26A | 109.0° | 109.5° |
| N27 | C25 | H25 | 110.5° | 109.5° |
| C25 | N27 | C29 | 123.7° | 120.0° |
| C25 | N27 | HN27 | 118.2° | 120.0° |
| C28 | C26 | H26 | 109.0° | 109.5° |
| C28 | C26 | H26A | 109.0° | 109.5° |
| C26 | C28 | C36 | 111.5° | 109.4° |
| C26 | C28 | H28 | 108.8° | 109.5° |
| C26 | C28 | H28A | 108.8° | 109.5° |
| H26 | C26 | H26A | 109.9° | 109.5° |
| C29 | N27 | HN27 | 118.2° | 120.0° |
| N27 | C29 | O30 | 125.3° | 120.0° |
| N27 | C29 | C31 | 112.5° | 120.0° |
| C36 | C28 | H28 | 108.8° | 109.4° |
| C36 | C28 | H28A | 108.8° | 109.5° |
| C28 | C36 | C37 | 120.1° | 120.0° |
| C28 | C36 | C38 | 119.5° | 120.0° |
| H28 | C28 | H28A | 110.1° | 109.5° |
| O30 | C29 | C31 | 122.2° | 120.0° |
| C29 | C31 | C33 | 110.2° | 109.5° |
| C29 | C31 | N32 | 113.8° | 109.5° |
| C29 | C31 | H31 | 106.6° | 109.4° |
| C33 | C31 | N32 | 111.5° | 109.5° |
| C33 | C31 | H31 | 109.2° | 109.5° |
| C31 | C33 | C35 | 111.2° | 109.5° |
| C31 | C33 | O34 | 107.9° | 109.5° |
| C31 | C33 | H33 | 108.9° | 109.5° |
| N32 | C31 | H31 | 105.2° | 109.5° |
| C31 | N32 | C42 | 121.4° | 120.0° |
| C31 | N32 | HN32 | 119.3° | 120.0° |
| C42 | N32 | HN32 | 119.3° | 120.0° |
| N32 | C42 | O43 | 124.4° | 120.0° |
| C35 | C33 | O34 | 108.0° | 109.4° |
| C35 | C33 | H33 | 108.9° | 109.5° |
| C33 | C35 | H35 | 109.5° | 109.5° |
| C33 | C35 | H35A | 109.5° | 109.4° |
| C33 | C35 | H35B | 109.4° | 109.5° |
| O34 | C33 | H33 | 112.0° | 109.5° |
| C33 | O34 | HO34 | 109.5° | 114.0° |
| H35 | C35 | H35A | 109.4° | 109.5° |
| H35 | C35 | H35B | 109.5° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.5° |
| C37 | C36 | C38 | 120.4° | 120.0° |
| C36 | C37 | C39 | 119.9° | 120.0° |
| C36 | C37 | H37 | 120.0° | 120.0° |
| C36 | C38 | C41 | 119.5° | 120.0° |
| C36 | C38 | H38 | 120.3° | 120.0° |
| C39 | C37 | H37 | 120.0° | 120.0° |
| C37 | C39 | C40 | 120.1° | 120.0° |
| C37 | C39 | H39 | 119.9° | 120.0° |
| C41 | C38 | H38 | 120.3° | 120.1° |
| C38 | C41 | C40 | 120.6° | 120.1° |
| C38 | C41 | H41 | 119.7° | 120.0° |
| C40 | C39 | H39 | 120.0° | 120.0° |
| C39 | C40 | C41 | 119.4° | 120.0° |
| C39 | C40 | H40 | 120.3° | 119.9° |
| C41 | C40 | H40 | 120.3° | 120.1° |
| C40 | C41 | H41 | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C1 | C8 | C2 | 177.2° | 179.7° |
| C12 | C1 | C2 | C3 | 177.9° | 179.7° |
| C12 | C1 | C2 | H2 | 2.0° | 0.3° |
| C12 | C1 | C8 | C7 | 178.5° | 179.7° |
| C12 | C1 | C8 | C9 | 2.2° | 0.3° |
| C1 | C12 | C11 | C9 | 39.7° | 0.4° |
| C1 | C12 | C11 | C13 | 118.8° | 119.6° |
| C1 | C12 | C11 | H12 | 125.4° | 118.8° |
| C1 | C12 | C11 | H11 | 159.7° | 118.7° |
| C1 | C12 | C11 | H11A | 80.2° | 119.3° |
| C1 | C12 | C13 | H12 | 125.5° | 121.4° |
| C1 | C12 | C13 | C42 | 170.9° | 176.6° |
| C1 | C12 | C13 | H13 | 51.0° | 63.5° |
| C1 | C12 | C13 | H13A | 69.1° | 56.5° |
| C8 | C1 | C2 | C3 | 1.4° | 0.0° |
| C8 | C1 | C2 | H2 | 178.5° | 180.0° |
| C1 | C8 | C7 | C6 | 0.4° | 0.0° |
| C1 | C8 | C7 | C9 | 179.1° | 180.0° |
| C1 | C8 | C7 | H7 | 179.7° | 180.0° |
| C1 | C8 | C9 | O10 | 152.3° | 180.0° |
| C1 | C8 | C9 | C11 | 26.4° | 0.0° |
| C8 | C1 | C12 | C11 | 29.2° | 0.4° |
| C8 | C1 | C12 | C13 | 154.2° | 119.0° |
| C8 | C1 | C12 | H12 | 90.2° | 119.4° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C6 | 0.7° | 0.0° |
| C1 | C2 | C3 | O4 | 179.1° | 180.0° |
| C2 | C1 | C8 | C7 | 1.3° | 0.0° |
| C2 | C1 | C8 | C9 | 179.4° | 180.0° |
| C2 | C1 | C12 | C11 | 154.0° | 179.9° |
| C2 | C1 | C12 | C13 | 29.0° | 60.7° |
| C2 | C1 | C12 | H12 | 86.7° | 60.9° |
| C2 | C3 | C6 | O4 | 179.7° | 180.0° |
| C2 | C3 | O4 | C5 | 179.6° | 180.0° |
| C2 | C3 | C6 | C7 | 0.3° | 0.0° |
| C2 | C3 | C6 | H6 | 179.7° | 180.0° |
| H2 | C2 | C3 | C6 | 179.3° | 180.0° |
| H2 | C2 | C3 | O4 | 1.0° | 0.0° |
| C6 | C3 | O4 | C5 | 0.7° | 0.0° |
| C3 | C6 | C7 | H6 | 180.0° | 180.0° |
| C3 | C6 | C7 | C8 | 0.4° | 0.0° |
| C3 | C6 | C7 | H7 | 179.6° | 180.0° |
| C3 | O4 | C5 | H5 | 180.0° | 180.0° |
| C3 | O4 | C5 | H5A | 60.0° | 60.0° |
| C3 | O4 | C5 | H5B | 60.0° | 60.0° |
| O4 | C3 | C6 | C7 | 180.0° | 180.0° |
| O4 | C3 | C6 | H6 | 0.0° | 0.0° |
| O4 | C5 | H5 | H5A | 120.0° | 120.1° |
| O4 | C5 | H5 | H5B | 120.0° | 120.0° |
| O4 | C5 | H5A | H5B | 120.0° | 120.0° |
| H5 | C5 | H5A | H5B | 120.0° | 120.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 179.4° | 180.0° |
| H6 | C6 | C7 | C8 | 179.6° | 180.0° |
| H6 | C6 | C7 | H7 | 0.4° | 0.1° |
| C7 | C8 | C9 | O10 | 28.5° | 0.0° |
| C7 | C8 | C9 | C11 | 152.7° | 180.0° |
| H7 | C7 | C8 | C9 | 0.6° | 0.0° |
| C8 | C9 | O10 | C11 | 178.5° | 180.0° |
| C8 | C9 | C11 | C12 | 42.5° | 0.3° |
| C8 | C9 | C11 | H11 | 162.5° | 119.0° |
| C8 | C9 | C11 | H11A | 77.5° | 119.0° |
| O10 | C9 | C11 | C12 | 136.2° | 179.7° |
| O10 | C9 | C11 | H11 | 16.3° | 61.0° |
| O10 | C9 | C11 | H11A | 103.8° | 61.0° |
| C9 | C11 | C12 | H11 | 120.0° | 119.1° |
| C9 | C11 | C12 | H11A | 120.0° | 118.8° |
| C9 | C11 | H11 | H11A | 125.9° | 122.0° |
| C9 | C11 | C12 | C13 | 158.6° | 119.2° |
| C9 | C11 | C12 | H12 | 85.7° | 119.2° |
| C12 | C11 | H11 | H11A | 125.9° | 121.9° |
| C11 | C12 | C13 | H12 | 119.5° | 121.6° |
| C11 | C12 | C13 | C42 | 55.9° | 66.4° |
| C11 | C12 | C13 | H13 | 64.1° | 53.6° |
| C11 | C12 | C13 | H13A | 175.9° | 173.5° |
| H11 | C11 | C12 | C13 | 81.4° | 121.7° |
| H11 | C11 | C12 | H12 | 34.3° | 0.1° |
| H11A | C11 | C12 | C13 | 38.6° | 0.3° |
| H11A | C11 | C12 | H12 | 154.3° | 122.0° |
| C12 | C13 | C42 | H13 | 120.0° | 120.0° |
| C12 | C13 | C42 | H13A | 120.0° | 120.1° |
| C12 | C13 | H13 | H13A | 118.9° | 120.0° |
| C12 | C13 | C42 | N32 | 92.7° | 180.0° |
| C12 | C13 | C42 | O43 | 87.7° | 0.1° |
| H12 | C12 | C13 | C42 | 63.6° | 55.2° |
| H12 | C12 | C13 | H13 | 176.4° | 175.2° |
| H12 | C12 | C13 | H13A | 56.4° | 64.9° |
| C42 | C13 | H13 | H13A | 118.9° | 120.0° |
| C13 | C42 | N32 | C31 | 178.5° | 180.0° |
| C13 | C42 | N32 | O43 | 179.6° | 179.9° |
| C13 | C42 | N32 | HN32 | 1.5° | 0.0° |
| H13 | C13 | C42 | N32 | 147.3° | 60.0° |
| H13 | C13 | C42 | O43 | 32.3° | 120.1° |
| H13A | C13 | C42 | N32 | 27.3° | 59.9° |
| H13A | C13 | C42 | O43 | 152.3° | 120.0° |
| C15 | C14 | H14 | H14A | 120.0° | 120.0° |
| C15 | C14 | H14 | H14B | 120.0° | 120.1° |
| C15 | C14 | H14A | H14B | 120.0° | 120.1° |
| C14 | C15 | C20 | C16 | 179.9° | 179.7° |
| C14 | C15 | C16 | C17 | 179.4° | 180.0° |
| C14 | C15 | C16 | H16 | 0.6° | 0.0° |
| C14 | C15 | C20 | C19 | 179.5° | 179.7° |
| C14 | C15 | C20 | H20 | 0.5° | 0.0° |
| H14 | C14 | H14A | H14B | 120.0° | 119.9° |
| H14 | C14 | C15 | C20 | 89.9° | 90.2° |
| H14 | C14 | C15 | C16 | 90.0° | 90.1° |
| H14A | C14 | C15 | C20 | 150.1° | 29.7° |
| H14A | C14 | C15 | C16 | 30.1° | 150.0° |
| H14B | C14 | C15 | C20 | 30.0° | 149.7° |
| H14B | C14 | C15 | C16 | 150.1° | 30.0° |
| C20 | C15 | C16 | C17 | 0.5° | 0.3° |
| C20 | C15 | C16 | H16 | 179.5° | 179.7° |
| C15 | C20 | C19 | C18 | 0.3° | 0.5° |
| C15 | C20 | C19 | H20 | 180.0° | 179.7° |
| C15 | C20 | C19 | H19 | 179.7° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.4° | 0.0° |
| C15 | C16 | C17 | H17 | 179.6° | 179.9° |
| C16 | C15 | C20 | C19 | 0.4° | 0.6° |
| C16 | C15 | C20 | H20 | 179.6° | 179.7° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.3° | 0.0° |
| C16 | C17 | C18 | C21 | 179.8° | 180.0° |
| H16 | C16 | C17 | C18 | 179.6° | 180.0° |
| H16 | C16 | C17 | H17 | 0.4° | 0.1° |
| C17 | C18 | C19 | C21 | 179.9° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.2° |
| C17 | C18 | C19 | H19 | 179.8° | 180.0° |
| C17 | C18 | C21 | N22 | 75.4° | 90.0° |
| C17 | C18 | C21 | H21 | 44.6° | 150.0° |
| C17 | C18 | C21 | H21A | 164.6° | 30.0° |
| H17 | C17 | C18 | C19 | 179.7° | 179.9° |
| H17 | C17 | C18 | C21 | 0.2° | 0.1° |
| C18 | C19 | C20 | H19 | 180.0° | 179.8° |
| C18 | C19 | C20 | H20 | 179.7° | 179.7° |
| C19 | C18 | C21 | N22 | 104.7° | 90.0° |
| C19 | C18 | C21 | H21 | 135.3° | 30.0° |
| C19 | C18 | C21 | H21A | 15.3° | 150.0° |
| C21 | C18 | C19 | C20 | 179.9° | 179.7° |
| C21 | C18 | C19 | H19 | 0.1° | 0.0° |
| C18 | C21 | N22 | H21 | 120.0° | 119.9° |
| C18 | C21 | N22 | H21A | 120.0° | 120.0° |
| C18 | C21 | H21 | H21A | 118.6° | 120.0° |
| C18 | C21 | N22 | C23 | 101.3° | 180.0° |
| C18 | C21 | N22 | HN22 | 78.7° | 0.0° |
| H19 | C19 | C20 | H20 | 0.3° | 0.0° |
| N22 | C21 | H21 | H21A | 118.5° | 120.1° |
| C21 | N22 | C23 | HN22 | 180.0° | 179.9° |
| C21 | N22 | C23 | O24 | 1.4° | 0.0° |
| C21 | N22 | C23 | C25 | 178.7° | 180.0° |
| H21 | C21 | N22 | C23 | 18.7° | 60.1° |
| H21 | C21 | N22 | HN22 | 161.3° | 120.0° |
| H21A | C21 | N22 | C23 | 138.7° | 60.0° |
| H21A | C21 | N22 | HN22 | 41.3° | 119.9° |
| N22 | C23 | O24 | C25 | 179.9° | 180.0° |
| N22 | C23 | C25 | C26 | 105.4° | 60.0° |
| N22 | C23 | C25 | N27 | 135.8° | 180.0° |
| N22 | C23 | C25 | H25 | 14.7° | 60.0° |
| HN22 | N22 | C23 | O24 | 178.6° | 179.9° |
| HN22 | N22 | C23 | C25 | 1.3° | 0.1° |
| O24 | C23 | C25 | C26 | 74.7° | 120.0° |
| O24 | C23 | C25 | N27 | 44.1° | 0.0° |
| O24 | C23 | C25 | H25 | 165.1° | 120.0° |
| C23 | C25 | C26 | N27 | 117.0° | 120.0° |
| C23 | C25 | C26 | H25 | 121.8° | 120.0° |
| C23 | C25 | N27 | H25 | 121.7° | 120.1° |
| C23 | C25 | C26 | C28 | 175.5° | 175.0° |
| C23 | C25 | C26 | H26 | 55.5° | 65.0° |
| C23 | C25 | C26 | H26A | 64.5° | 55.0° |
| C23 | C25 | N27 | C29 | 107.6° | 155.0° |
| C23 | C25 | N27 | HN27 | 72.4° | 25.0° |
| C26 | C25 | N27 | H25 | 120.2° | 119.9° |
| C25 | C26 | C28 | H26 | 120.0° | 120.0° |
| C25 | C26 | C28 | H26A | 120.0° | 120.0° |
| C25 | C26 | H26 | H26A | 119.4° | 120.0° |
| C26 | C25 | N27 | C29 | 134.3° | 85.0° |
| C26 | C25 | N27 | HN27 | 45.7° | 95.0° |
| C25 | C26 | C28 | C36 | 71.4° | 180.0° |
| C25 | C26 | C28 | H28 | 48.6° | 60.0° |
| C25 | C26 | C28 | H28A | 168.6° | 60.0° |
| N27 | C25 | C26 | C28 | 58.5° | 65.0° |
| N27 | C25 | C26 | H26 | 61.5° | 55.0° |
| N27 | C25 | C26 | H26A | 178.5° | 175.0° |
| C25 | N27 | C29 | HN27 | 180.0° | 180.0° |
| C25 | N27 | C29 | O30 | 2.1° | 0.0° |
| C25 | N27 | C29 | C31 | 178.7° | 180.0° |
| H25 | C25 | C26 | C28 | 62.7° | 55.0° |
| H25 | C25 | C26 | H26 | 177.3° | 175.0° |
| H25 | C25 | C26 | H26A | 57.3° | 65.0° |
| H25 | C25 | N27 | C29 | 14.1° | 34.9° |
| H25 | C25 | N27 | HN27 | 165.9° | 145.0° |
| C28 | C26 | H26 | H26A | 119.4° | 120.0° |
| C26 | C28 | C36 | H28 | 120.0° | 120.0° |
| C26 | C28 | C36 | H28A | 120.0° | 120.0° |
| C26 | C28 | H28 | H28A | 119.2° | 120.0° |
| C26 | C28 | C36 | C37 | 61.4° | 89.7° |
| C26 | C28 | C36 | C38 | 118.4° | 90.0° |
| H26 | C26 | C28 | C36 | 168.6° | 60.0° |
| H26 | C26 | C28 | H28 | 71.4° | 180.0° |
| H26 | C26 | C28 | H28A | 48.6° | 59.9° |
| H26A | C26 | C28 | C36 | 48.7° | 60.0° |
| H26A | C26 | C28 | H28 | 168.7° | 59.9° |
| H26A | C26 | C28 | H28A | 71.3° | 180.0° |
| N27 | C29 | O30 | C31 | 179.1° | 180.0° |
| N27 | C29 | C31 | C33 | 97.7° | 60.0° |
| N27 | C29 | C31 | N32 | 136.2° | 180.0° |
| N27 | C29 | C31 | H31 | 20.7° | 60.0° |
| HN27 | N27 | C29 | O30 | 177.9° | 180.0° |
| HN27 | N27 | C29 | C31 | 1.3° | 0.0° |
| C36 | C28 | H28 | H28A | 119.2° | 120.0° |
| C28 | C36 | C37 | C38 | 179.9° | 179.7° |
| C28 | C36 | C37 | C39 | 179.6° | 180.0° |
| C28 | C36 | C37 | H37 | 0.4° | 0.0° |
| C28 | C36 | C38 | C41 | 179.6° | 180.0° |
| C28 | C36 | C38 | H38 | 0.4° | 0.0° |
| H28 | C28 | C36 | C37 | 178.5° | 150.3° |
| H28 | C28 | C36 | C38 | 1.6° | 30.0° |
| H28A | C28 | C36 | C37 | 58.6° | 30.3° |
| H28A | C28 | C36 | C38 | 121.6° | 150.0° |
| O30 | C29 | C31 | C33 | 83.1° | 120.0° |
| O30 | C29 | C31 | N32 | 43.0° | 0.0° |
| O30 | C29 | C31 | H31 | 158.5° | 120.0° |
| C29 | C31 | C33 | N32 | 127.4° | 120.0° |
| C29 | C31 | C33 | H31 | 116.8° | 120.0° |
| C29 | C31 | N32 | H31 | 116.3° | 120.0° |
| C29 | C31 | N32 | C42 | 58.8° | 155.0° |
| C29 | C31 | N32 | HN32 | 121.2° | 25.0° |
| C29 | C31 | C33 | C35 | 63.0° | 175.0° |
| C29 | C31 | C33 | O34 | 178.8° | 55.0° |
| C29 | C31 | C33 | H33 | 57.0° | 65.0° |
| C33 | C31 | N32 | H31 | 118.2° | 120.0° |
| C33 | C31 | N32 | C42 | 175.8° | 85.0° |
| C33 | C31 | N32 | HN32 | 4.2° | 95.0° |
| C31 | C33 | C35 | O34 | 118.2° | 120.0° |
| C31 | C33 | C35 | H33 | 120.0° | 120.0° |
| C31 | C33 | O34 | H33 | 119.9° | 120.0° |
| C31 | C33 | O34 | HO34 | 180.0° | 180.0° |
| C31 | C33 | C35 | H35 | 180.0° | 180.0° |
| C31 | C33 | C35 | H35A | 60.0° | 60.0° |
| C31 | C33 | C35 | H35B | 60.0° | 60.0° |
| C31 | N32 | C42 | HN32 | 180.0° | 180.0° |
| N32 | C31 | C33 | C35 | 169.6° | 55.0° |
| N32 | C31 | C33 | O34 | 51.3° | 65.0° |
| N32 | C31 | C33 | H33 | 70.4° | 175.0° |
| C31 | N32 | C42 | O43 | 1.1° | 0.1° |
| H31 | C31 | N32 | C42 | 57.6° | 35.0° |
| H31 | C31 | N32 | HN32 | 122.4° | 145.0° |
| H31 | C31 | C33 | C35 | 53.8° | 65.0° |
| H31 | C31 | C33 | O34 | 64.4° | 175.0° |
| H31 | C31 | C33 | H33 | 173.8° | 55.0° |
| HN32 | N32 | C42 | O43 | 178.9° | 179.9° |
| C35 | C33 | O34 | H33 | 119.9° | 120.0° |
| C35 | C33 | O34 | HO34 | 59.7° | 60.0° |
| C33 | C35 | H35 | H35A | 120.0° | 120.0° |
| C33 | C35 | H35 | H35B | 120.0° | 120.0° |
| C33 | C35 | H35A | H35B | 120.0° | 120.0° |
| O34 | C33 | C35 | H35 | 61.8° | 60.0° |
| O34 | C33 | C35 | H35A | 178.2° | 180.0° |
| O34 | C33 | C35 | H35B | 58.2° | 60.0° |
| H33 | C33 | O34 | HO34 | 60.1° | 59.9° |
| H33 | C33 | C35 | H35 | 60.0° | 60.0° |
| H33 | C33 | C35 | H35A | 60.0° | 60.0° |
| H33 | C33 | C35 | H35B | 180.0° | 180.0° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
| C36 | C37 | C39 | H37 | 180.0° | 180.0° |
| C37 | C36 | C38 | C41 | 0.6° | 0.2° |
| C37 | C36 | C38 | H38 | 179.4° | 179.7° |
| C36 | C37 | C39 | C40 | 0.5° | 0.0° |
| C36 | C37 | C39 | H39 | 179.5° | 179.9° |
| C38 | C36 | C37 | C39 | 0.6° | 0.3° |
| C38 | C36 | C37 | H37 | 179.4° | 179.7° |
| C36 | C38 | C41 | H38 | 180.0° | 179.9° |
| C36 | C38 | C41 | C40 | 0.4° | 0.1° |
| C36 | C38 | C41 | H41 | 179.6° | 179.8° |
| C37 | C39 | C40 | H39 | 180.0° | 179.9° |
| C37 | C39 | C40 | C41 | 0.3° | 0.3° |
| C37 | C39 | C40 | H40 | 179.6° | 179.9° |
| H37 | C37 | C39 | C40 | 179.5° | 180.0° |
| H37 | C37 | C39 | H39 | 0.5° | 0.1° |
| C38 | C41 | C40 | C39 | 0.3° | 0.4° |
| C38 | C41 | C40 | H41 | 180.0° | 179.7° |
| C38 | C41 | C40 | H40 | 179.7° | 179.9° |
| H38 | C38 | C41 | C40 | 179.6° | 180.0° |
| H38 | C38 | C41 | H41 | 0.5° | 0.3° |
| C39 | C40 | C41 | H40 | 180.0° | 179.7° |
| C39 | C40 | C41 | H41 | 179.7° | 179.9° |
| H39 | C39 | C40 | C41 | 179.6° | 179.8° |
| H39 | C39 | C40 | H40 | 0.4° | 0.0° |
| H40 | C40 | C41 | H41 | 0.3° | 0.2° |
