XJ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.41Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.42Å | 1.42Å | Aromatic |
| C1 | N7 | doub | 1.34Å | 1.33Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.36Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C12 | sing | 1.51Å | 1.50Å | |
| C6 | C11 | doub | 1.41Å | 1.43Å | Aromatic |
| N7 | C8 | sing | 1.32Å | 1.32Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | N10 | sing | 1.39Å | 1.39Å | |
| C9 | C11 | sing | 1.36Å | 1.37Å | Aromatic |
| C12 | N13 | sing | 1.46Å | 1.46Å | |
| N13 | C22 | sing | 1.35Å | 1.35Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C20 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.51Å | 1.49Å | |
| C21 | N24 | sing | 1.46Å | 1.46Å | |
| C22 | O23 | doub | 1.21Å | 1.21Å | |
| N24 | C25 | sing | 1.35Å | 1.35Å | |
| C25 | O26 | doub | 1.22Å | 1.22Å | |
| C25 | C27 | sing | 1.48Å | 1.49Å | |
| C27 | C28 | sing | 1.40Å | 1.41Å | Aromatic |
| C27 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.36Å | 1.37Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.41Å | 1.42Å | Aromatic |
| C30 | N37 | sing | 1.38Å | 1.39Å | |
| C31 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | C33 | sing | 1.47Å | 1.47Å | |
| C33 | C34 | doub | 1.37Å | 1.37Å | |
| C33 | O38 | sing | 1.35Å | 1.36Å | |
| C34 | C35 | sing | 1.40Å | 1.42Å | |
| C35 | O36 | doub | 1.22Å | 1.23Å | |
| C35 | N37 | sing | 1.34Å | 1.36Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N10 | H102 | sing | 0.97Å | 1.00Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| N24 | H24 | sing | 0.97Å | 1.00Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| N37 | H37 | sing | 0.97Å | 1.00Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| O38 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.8° | 119.1° |
| C2 | C1 | N7 | 120.5° | 121.0° |
| C1 | C2 | C3 | 119.3° | 119.7° |
| C1 | C2 | H2 | 120.4° | 120.1° |
| C6 | C1 | N7 | 118.7° | 119.9° |
| C1 | C6 | C5 | 118.0° | 119.6° |
| C1 | C6 | C11 | 119.9° | 119.1° |
| C1 | N7 | C8 | 122.2° | 121.2° |
| C2 | C3 | C4 | 120.2° | 121.0° |
| C3 | C2 | H2 | 120.4° | 120.2° |
| C2 | C3 | H3 | 119.9° | 119.5° |
| C3 | C4 | C5 | 121.4° | 120.9° |
| C4 | C3 | H3 | 119.9° | 119.5° |
| C3 | C4 | H4 | 119.3° | 119.5° |
| C4 | C5 | C6 | 120.4° | 119.7° |
| C4 | C5 | C12 | 121.6° | 120.2° |
| C5 | C4 | H4 | 119.3° | 119.6° |
| C6 | C5 | C12 | 118.0° | 120.2° |
| C5 | C6 | C11 | 122.1° | 121.3° |
| C5 | C12 | N13 | 112.2° | 109.5° |
| C5 | C12 | H121 | 108.8° | 109.4° |
| C5 | C12 | H122 | 108.8° | 109.4° |
| C6 | C11 | C9 | 118.2° | 118.3° |
| C6 | C11 | H11 | 120.9° | 120.8° |
| N7 | C8 | C9 | 122.7° | 121.6° |
| N7 | C8 | N10 | 116.6° | 119.2° |
| C9 | C8 | N10 | 120.7° | 119.2° |
| C8 | C9 | C11 | 118.3° | 119.8° |
| C8 | C9 | H9 | 120.9° | 120.1° |
| C8 | N10 | H101 | 109.5° | 120.0° |
| C8 | N10 | H102 | 109.5° | 120.0° |
| C9 | C11 | H11 | 120.9° | 120.8° |
| C11 | C9 | H9 | 120.9° | 120.1° |
| C12 | N13 | C22 | 121.4° | 120.0° |
| N13 | C12 | H121 | 108.8° | 109.5° |
| N13 | C12 | H122 | 108.8° | 109.6° |
| C12 | N13 | H13 | 119.3° | 120.0° |
| N13 | C22 | C21 | 118.2° | 120.0° |
| N13 | C22 | O23 | 121.9° | 120.0° |
| C22 | N13 | H13 | 119.3° | 120.0° |
| C15 | C14 | C19 | 120.8° | 120.0° |
| C14 | C15 | C16 | 119.9° | 120.0° |
| C15 | C14 | H14 | 119.6° | 120.0° |
| C14 | C15 | H15 | 120.1° | 120.0° |
| C14 | C19 | C18 | 119.1° | 120.0° |
| C19 | C14 | H14 | 119.6° | 120.0° |
| C14 | C19 | H19 | 120.5° | 120.0° |
| C15 | C16 | C17 | 119.8° | 120.0° |
| C16 | C15 | H15 | 120.1° | 120.0° |
| C15 | C16 | H16 | 120.1° | 120.0° |
| C16 | C17 | C18 | 120.1° | 120.0° |
| C16 | C17 | C20 | 119.0° | 119.9° |
| C17 | C16 | H16 | 120.1° | 120.0° |
| C18 | C17 | C20 | 120.8° | 120.0° |
| C17 | C18 | C19 | 120.3° | 120.0° |
| C17 | C18 | H18 | 119.8° | 120.0° |
| C17 | C20 | C21 | 115.4° | 109.4° |
| C17 | C20 | H201 | 108.0° | 109.4° |
| C17 | C20 | H202 | 108.0° | 109.5° |
| C18 | C19 | H19 | 120.5° | 120.0° |
| C19 | C18 | H18 | 119.8° | 120.0° |
| C20 | C21 | C22 | 104.3° | 109.4° |
| C20 | C21 | N24 | 105.4° | 109.5° |
| C21 | C20 | H201 | 108.0° | 109.5° |
| C21 | C20 | H202 | 108.0° | 109.5° |
| C20 | C21 | H21 | 110.7° | 109.5° |
| C22 | C21 | N24 | 112.9° | 109.5° |
| C21 | C22 | O23 | 119.8° | 120.0° |
| C22 | C21 | H21 | 111.3° | 109.5° |
| C21 | N24 | C25 | 123.5° | 120.0° |
| N24 | C21 | H21 | 111.8° | 109.5° |
| C21 | N24 | H24 | 118.2° | 120.0° |
| N24 | C25 | O26 | 120.7° | 120.0° |
| N24 | C25 | C27 | 119.3° | 120.0° |
| C25 | N24 | H24 | 118.2° | 120.0° |
| O26 | C25 | C27 | 120.0° | 120.0° |
| C25 | C27 | C28 | 119.8° | 120.0° |
| C25 | C27 | C32 | 120.7° | 120.0° |
| C28 | C27 | C32 | 119.4° | 120.1° |
| C27 | C28 | C29 | 121.7° | 120.6° |
| C27 | C28 | H28 | 119.1° | 119.6° |
| C27 | C32 | C31 | 119.4° | 119.4° |
| C27 | C32 | H32 | 120.3° | 120.3° |
| C28 | C29 | C30 | 120.0° | 120.3° |
| C29 | C28 | H28 | 119.2° | 119.7° |
| C28 | C29 | H29 | 120.0° | 119.8° |
| C29 | C30 | C31 | 118.9° | 119.7° |
| C29 | C30 | N37 | 121.6° | 120.8° |
| C30 | C29 | H29 | 120.0° | 119.9° |
| C31 | C30 | N37 | 119.4° | 119.5° |
| C30 | C31 | C32 | 120.6° | 120.0° |
| C30 | C31 | C33 | 118.9° | 118.9° |
| C30 | N37 | C35 | 121.5° | 121.2° |
| C30 | N37 | H37 | 119.3° | 119.3° |
| C32 | C31 | C33 | 120.5° | 121.1° |
| C31 | C32 | H32 | 120.4° | 120.3° |
| C31 | C33 | C34 | 118.7° | 118.3° |
| C31 | C33 | O38 | 119.1° | 120.8° |
| C34 | C33 | O38 | 122.3° | 120.8° |
| C33 | C34 | C35 | 120.3° | 120.1° |
| C33 | C34 | H34 | 119.9° | 119.9° |
| C33 | O38 | H38 | 109.5° | 114.0° |
| C34 | C35 | O36 | 119.6° | 119.0° |
| C34 | C35 | N37 | 121.2° | 121.9° |
| C35 | C34 | H34 | 119.9° | 119.9° |
| O36 | C35 | N37 | 119.2° | 119.1° |
| C35 | N37 | H37 | 119.3° | 119.4° |
| H121 | C12 | H122 | 109.4° | 109.5° |
| H101 | N10 | H102 | 109.5° | 120.0° |
| H201 | C20 | H202 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | N7 | 179.7° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.1° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C2 | C1 | C6 | C11 | 179.7° | 180.0° |
| C2 | C1 | N7 | C8 | 179.9° | 180.0° |
| C1 | C2 | C3 | H3 | 179.6° | 180.0° |
| C6 | C1 | C2 | C3 | 0.6° | 0.0° |
| C1 | C6 | C5 | C4 | 0.9° | 0.0° |
| C1 | C6 | C5 | C11 | 179.7° | 180.0° |
| C1 | C6 | C5 | C12 | 178.8° | 180.0° |
| C6 | C1 | N7 | C8 | 0.4° | 0.3° |
| C1 | C6 | C11 | C9 | 0.2° | 0.0° |
| C6 | C1 | C2 | H2 | 179.4° | 180.0° |
| C1 | C6 | C11 | H11 | 179.8° | 180.0° |
| N7 | C1 | C2 | C3 | 179.8° | 179.8° |
| N7 | C1 | C6 | C5 | 179.6° | 179.7° |
| N7 | C1 | C6 | C11 | 0.1° | 0.2° |
| C1 | N7 | C8 | C9 | 0.9° | 0.0° |
| C1 | N7 | C8 | N10 | 179.6° | 180.0° |
| N7 | C1 | C2 | H2 | 0.2° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.5° | 0.1° |
| C2 | C3 | C4 | H4 | 179.5° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.2° | 0.0° |
| C3 | C4 | C5 | C12 | 179.0° | 179.9° |
| C4 | C3 | C2 | H2 | 179.6° | 180.0° |
| C4 | C5 | C6 | C12 | 177.9° | 180.0° |
| C4 | C5 | C6 | C11 | 179.4° | 180.0° |
| C4 | C5 | C12 | N13 | 1.4° | 100.0° |
| C5 | C4 | C3 | H3 | 179.5° | 180.0° |
| C4 | C5 | C12 | H121 | 121.8° | 20.0° |
| C4 | C5 | C12 | H122 | 119.1° | 140.0° |
| C5 | C6 | C11 | C9 | 179.5° | 180.0° |
| C6 | C5 | C12 | N13 | 176.5° | 80.0° |
| C6 | C5 | C4 | H4 | 178.8° | 179.9° |
| C6 | C5 | C12 | H121 | 56.1° | 160.0° |
| C6 | C5 | C12 | H122 | 63.0° | 40.1° |
| C5 | C6 | C11 | H11 | 0.5° | 0.1° |
| C12 | C5 | C6 | C11 | 1.5° | 0.1° |
| C5 | C12 | N13 | H121 | 120.4° | 120.0° |
| C5 | C12 | N13 | H122 | 120.4° | 120.0° |
| C5 | C12 | N13 | C22 | 109.2° | 180.0° |
| C12 | C5 | C4 | H4 | 1.0° | 0.0° |
| C5 | C12 | H121 | H122 | 118.8° | 119.9° |
| C5 | C12 | N13 | H13 | 70.8° | 0.1° |
| C6 | C11 | C9 | C8 | 0.6° | 0.3° |
| C6 | C11 | C9 | H11 | 180.0° | 179.9° |
| C6 | C11 | C9 | H9 | 179.4° | 180.0° |
| N7 | C8 | C9 | N10 | 179.5° | 179.9° |
| N7 | C8 | C9 | C11 | 1.0° | 0.3° |
| N7 | C8 | C9 | H9 | 179.0° | 180.0° |
| N7 | C8 | N10 | H101 | 0.0° | 0.0° |
| N7 | C8 | N10 | H102 | 120.0° | 180.0° |
| C8 | C9 | C11 | H9 | 180.0° | 179.7° |
| C8 | C9 | C11 | H11 | 179.4° | 179.8° |
| C9 | C8 | N10 | H101 | 179.5° | 180.0° |
| C9 | C8 | N10 | H102 | 59.5° | 0.0° |
| N10 | C8 | C9 | C11 | 179.5° | 179.7° |
| N10 | C8 | C9 | H9 | 0.5° | 0.0° |
| C8 | N10 | H101 | H102 | 120.0° | 180.0° |
| C12 | N13 | C22 | H13 | 180.0° | 179.9° |
| C12 | N13 | C22 | C21 | 178.1° | 180.0° |
| C12 | N13 | C22 | O23 | 1.7° | 0.0° |
| N13 | C12 | H121 | H122 | 118.7° | 120.1° |
| N13 | C22 | C21 | C20 | 74.4° | 60.0° |
| N13 | C22 | C21 | O23 | 176.5° | 180.0° |
| N13 | C22 | C21 | N24 | 171.7° | 180.0° |
| C22 | N13 | C12 | H121 | 11.2° | 60.1° |
| C22 | N13 | C12 | H122 | 130.3° | 60.0° |
| N13 | C22 | C21 | H21 | 45.0° | 60.0° |
| C15 | C14 | C19 | H14 | 180.0° | 179.6° |
| C14 | C15 | C16 | H15 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 1.2° | 0.1° |
| C15 | C14 | C19 | C18 | 0.1° | 0.0° |
| C15 | C14 | C19 | H19 | 179.9° | 180.0° |
| C14 | C15 | C16 | H16 | 178.8° | 180.0° |
| C19 | C14 | C15 | C16 | 0.3° | 0.1° |
| C14 | C19 | C18 | C17 | 0.7° | 0.0° |
| C14 | C19 | C18 | H19 | 180.0° | 180.0° |
| C19 | C14 | C15 | H15 | 179.7° | 180.0° |
| C14 | C19 | C18 | H18 | 179.3° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 1.8° | 0.1° |
| C15 | C16 | C17 | C20 | 179.6° | 179.9° |
| C16 | C15 | C14 | H14 | 179.7° | 179.7° |
| C16 | C17 | C18 | C20 | 177.7° | 180.0° |
| C16 | C17 | C18 | C19 | 1.6° | 0.0° |
| C16 | C17 | C20 | C21 | 121.5° | 90.0° |
| C17 | C16 | C15 | H15 | 178.8° | 180.0° |
| C16 | C17 | C18 | H18 | 178.5° | 180.0° |
| C16 | C17 | C20 | H201 | 117.7° | 150.0° |
| C16 | C17 | C20 | H202 | 0.6° | 30.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C18 | C17 | C20 | C21 | 60.8° | 90.0° |
| C17 | C18 | C19 | H19 | 179.3° | 180.0° |
| C18 | C17 | C16 | H16 | 178.2° | 180.0° |
| C18 | C17 | C20 | H201 | 60.1° | 30.0° |
| C18 | C17 | C20 | H202 | 178.3° | 150.0° |
| C20 | C17 | C18 | C19 | 179.3° | 180.0° |
| C17 | C20 | C21 | H201 | 120.9° | 119.9° |
| C17 | C20 | C21 | H202 | 120.9° | 120.0° |
| C17 | C20 | C21 | C22 | 175.3° | 175.0° |
| C17 | C20 | C21 | N24 | 65.5° | 65.1° |
| C20 | C17 | C16 | H16 | 0.5° | 0.0° |
| C20 | C17 | C18 | H18 | 0.8° | 0.0° |
| C17 | C20 | H201 | H202 | 117.3° | 120.0° |
| C17 | C20 | C21 | H21 | 55.5° | 55.0° |
| C18 | C19 | C14 | H14 | 179.9° | 179.6° |
| C20 | C21 | C22 | N24 | 113.9° | 120.0° |
| C20 | C21 | C22 | H21 | 119.4° | 120.0° |
| C20 | C21 | N24 | H21 | 120.3° | 120.1° |
| C20 | C21 | C22 | O23 | 102.1° | 120.0° |
| C20 | C21 | N24 | C25 | 135.8° | 85.0° |
| C21 | C20 | H201 | H202 | 117.3° | 120.1° |
| C20 | C21 | N24 | H24 | 44.2° | 94.9° |
| C22 | C21 | N24 | H21 | 126.4° | 120.0° |
| C22 | C21 | N24 | C25 | 110.9° | 155.0° |
| C21 | C22 | N13 | H13 | 1.9° | 0.1° |
| C22 | C21 | C20 | H201 | 54.4° | 55.1° |
| C22 | C21 | C20 | H202 | 63.8° | 65.0° |
| C22 | C21 | N24 | H24 | 69.1° | 25.0° |
| N24 | C21 | C22 | O23 | 11.8° | 0.0° |
| C21 | N24 | C25 | H24 | 180.0° | 180.0° |
| C21 | N24 | C25 | O26 | 0.2° | 0.0° |
| C21 | N24 | C25 | C27 | 176.4° | 180.0° |
| N24 | C21 | C20 | H201 | 173.6° | 175.0° |
| N24 | C21 | C20 | H202 | 55.3° | 54.9° |
| O23 | C22 | N13 | H13 | 178.3° | 179.9° |
| O23 | C22 | C21 | H21 | 138.5° | 120.0° |
| N24 | C25 | O26 | C27 | 176.2° | 179.9° |
| N24 | C25 | C27 | C28 | 9.0° | 0.1° |
| N24 | C25 | C27 | C32 | 173.8° | 179.8° |
| C25 | N24 | C21 | H21 | 15.5° | 35.0° |
| O26 | C25 | C27 | C28 | 167.2° | 180.0° |
| O26 | C25 | C27 | C32 | 9.9° | 0.2° |
| O26 | C25 | N24 | H24 | 179.8° | 180.0° |
| C25 | C27 | C28 | C32 | 177.2° | 179.8° |
| C25 | C27 | C28 | C29 | 178.5° | 180.0° |
| C25 | C27 | C32 | C31 | 178.6° | 179.7° |
| C27 | C25 | N24 | H24 | 3.6° | 0.0° |
| C25 | C27 | C28 | H28 | 1.6° | 0.0° |
| C25 | C27 | C32 | H32 | 1.4° | 0.1° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.2° | 0.1° |
| C28 | C27 | C32 | C31 | 1.4° | 0.5° |
| C28 | C27 | C32 | H32 | 178.6° | 179.7° |
| C27 | C28 | C29 | H29 | 179.8° | 180.0° |
| C32 | C27 | C28 | C29 | 1.3° | 0.2° |
| C27 | C32 | C31 | C30 | 0.5° | 0.5° |
| C27 | C32 | C31 | H32 | 180.0° | 179.8° |
| C27 | C32 | C31 | C33 | 179.9° | 179.7° |
| C32 | C27 | C28 | H28 | 178.7° | 179.8° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.8° | 0.0° |
| C28 | C29 | C30 | N37 | 178.4° | 180.0° |
| C29 | C30 | C31 | N37 | 177.7° | 180.0° |
| C29 | C30 | C31 | C32 | 0.6° | 0.3° |
| C29 | C30 | C31 | C33 | 178.8° | 180.0° |
| C29 | C30 | N37 | C35 | 176.4° | 180.0° |
| C30 | C29 | C28 | H28 | 179.9° | 179.9° |
| C29 | C30 | N37 | H37 | 3.5° | 0.0° |
| C30 | C31 | C32 | C33 | 179.4° | 179.7° |
| C30 | C31 | C33 | C34 | 2.4° | 0.0° |
| C30 | C31 | C33 | O38 | 177.8° | 180.0° |
| C31 | C30 | N37 | C35 | 1.2° | 0.1° |
| C30 | C31 | C32 | H32 | 179.5° | 179.7° |
| C31 | C30 | C29 | H29 | 179.2° | 180.0° |
| C31 | C30 | N37 | H37 | 178.8° | 180.0° |
| N37 | C30 | C31 | C32 | 178.3° | 179.7° |
| N37 | C30 | C31 | C33 | 1.2° | 0.0° |
| C30 | N37 | C35 | C34 | 2.3° | 0.1° |
| C30 | N37 | C35 | O36 | 178.8° | 180.0° |
| C30 | N37 | C35 | H37 | 180.0° | 179.9° |
| N37 | C30 | C29 | H29 | 1.6° | 0.0° |
| C32 | C31 | C33 | C34 | 177.1° | 179.8° |
| C32 | C31 | C33 | O38 | 2.7° | 0.2° |
| C31 | C33 | C34 | O38 | 179.8° | 180.0° |
| C31 | C33 | C34 | C35 | 1.3° | 0.1° |
| C33 | C31 | C32 | H32 | 0.1° | 0.0° |
| C31 | C33 | C34 | H34 | 178.7° | 180.0° |
| C31 | C33 | O38 | H38 | 180.0° | 180.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | O36 | 179.9° | 180.0° |
| C33 | C34 | C35 | N37 | 1.0° | 0.0° |
| C34 | C33 | O38 | H38 | 0.2° | 0.0° |
| O38 | C33 | C34 | C35 | 178.9° | 180.0° |
| O38 | C33 | C34 | H34 | 1.1° | 0.0° |
| C34 | C35 | O36 | N37 | 178.9° | 180.0° |
| C34 | C35 | N37 | H37 | 177.7° | 180.0° |
| O36 | C35 | N37 | H37 | 1.2° | 0.0° |
| O36 | C35 | C34 | H34 | 0.1° | 0.1° |
| N37 | C35 | C34 | H34 | 179.0° | 179.9° |
| H2 | C2 | C3 | H3 | 0.4° | 0.0° |
| H3 | C3 | C4 | H4 | 0.5° | 0.1° |
| H121 | C12 | N13 | H13 | 168.8° | 120.0° |
| H122 | C12 | N13 | H13 | 49.7° | 119.9° |
| H11 | C11 | C9 | H9 | 0.6° | 0.1° |
| H14 | C14 | C15 | H15 | 0.3° | 0.4° |
| H14 | C14 | C19 | H19 | 0.0° | 0.3° |
| H15 | C15 | C16 | H16 | 1.2° | 0.1° |
| H19 | C19 | C18 | H18 | 0.6° | 0.0° |
| H201 | C20 | C21 | H21 | 65.4° | 64.9° |
| H202 | C20 | C21 | H21 | 176.4° | 175.0° |
| H21 | C21 | N24 | H24 | 164.5° | 145.0° |
| H28 | C28 | C29 | H29 | 0.2° | 0.0° |
