0XA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| O17 | C8 | doub | 1.21Å | 1.23Å | |
| C5 | C8 | sing | 1.47Å | 1.54Å | |
| C5 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C27 | C25 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C25 | N24 | sing | 1.47Å | 1.47Å | |
| C25 | C29 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C18 | sing | 1.48Å | 1.49Å | |
| N24 | C23 | sing | 1.47Å | 1.49Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C29 | N30 | doub | 1.30Å | 1.35Å | Aromatic |
| C29 | O33 | sing | 1.34Å | 1.35Å | Aromatic |
| N30 | C31 | sing | 1.34Å | 1.37Å | Aromatic |
| C18 | O21 | doub | 1.22Å | 1.21Å | |
| C18 | N19 | sing | 1.37Å | 1.34Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| N19 | C20 | sing | 1.48Å | 1.47Å | |
| O33 | C32 | sing | 1.35Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C22 | C20 | sing | 1.53Å | 1.52Å | |
| C22 | O28 | sing | 1.43Å | 1.46Å | |
| C31 | C32 | doub | 1.34Å | 1.38Å | Aromatic |
| C20 | C16 | sing | 1.53Å | 1.53Å | |
| C32 | C34 | sing | 1.51Å | 1.55Å | |
| C12 | C13 | doub | 1.31Å | 1.33Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C16 | O15 | sing | 1.43Å | 1.46Å | |
| C37 | C34 | sing | 1.53Å | 1.55Å | |
| C34 | C35 | sing | 1.53Å | 1.57Å | |
| C34 | C36 | sing | 1.53Å | 1.53Å | |
| O15 | C14 | sing | 1.43Å | 1.46Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N19 | H2 | sing | 0.97Å | 1.00Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| O28 | H5 | sing | 0.97Å | 0.95Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| N24 | H8 | sing | 1.01Å | 1.00Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C37 | H13 | sing | 1.09Å | 1.10Å | |
| C37 | H14 | sing | 1.09Å | 1.10Å | |
| C37 | H15 | sing | 1.09Å | 1.10Å | |
| C36 | H16 | sing | 1.09Å | 1.10Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C36 | H18 | sing | 1.09Å | 1.10Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C35 | H20 | sing | 1.09Å | 1.10Å | |
| C35 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C13 | H30 | sing | 1.08Å | 1.08Å | |
| C12 | H31 | sing | 1.08Å | 1.08Å | |
| C11 | H32 | sing | 1.09Å | 1.10Å | |
| C11 | H33 | sing | 1.09Å | 1.10Å | |
| C10 | H34 | sing | 1.09Å | 1.10Å | |
| C10 | H35 | sing | 1.09Å | 1.10Å | |
| C9 | H36 | sing | 1.09Å | 1.10Å | |
| C9 | H37 | sing | 1.09Å | 1.10Å | |
| C4 | H38 | sing | 1.08Å | 1.08Å | |
| C6 | H39 | sing | 1.08Å | 1.08Å | |
| C7 | H40 | sing | 1.09Å | 1.10Å | |
| C7 | H41 | sing | 1.09Å | 1.10Å | |
| C7 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C1 | C6 | 120.8° | 119.8° |
| C7 | C1 | C2 | 120.2° | 119.6° |
| C1 | C7 | H40 | 109.5° | 109.4° |
| C1 | C7 | H41 | 109.5° | 109.5° |
| C1 | C7 | H42 | 109.5° | 109.4° |
| C6 | C1 | C2 | 119.0° | 120.6° |
| C1 | C6 | C5 | 122.7° | 120.0° |
| C1 | C6 | H39 | 118.6° | 120.0° |
| C1 | C2 | C3 | 117.8° | 120.0° |
| C1 | C2 | H1 | 121.1° | 120.0° |
| C6 | C5 | C8 | 119.5° | 120.2° |
| C6 | C5 | C4 | 119.0° | 119.8° |
| C5 | C6 | H39 | 118.7° | 120.0° |
| C26 | C25 | C27 | 114.2° | 109.5° |
| C26 | C25 | N24 | 109.5° | 109.5° |
| C26 | C25 | C29 | 114.1° | 109.5° |
| C25 | C26 | H23 | 109.5° | 109.5° |
| C25 | C26 | H24 | 109.5° | 109.5° |
| C25 | C26 | H25 | 109.5° | 109.5° |
| C2 | C3 | C4 | 124.3° | 120.0° |
| C2 | C3 | C18 | 117.4° | 120.2° |
| C3 | C2 | H1 | 121.1° | 120.0° |
| O17 | C8 | C5 | 120.2° | 120.1° |
| O17 | C8 | C9 | 116.1° | 120.1° |
| C8 | C5 | C4 | 121.5° | 119.9° |
| C5 | C8 | C9 | 123.5° | 119.8° |
| C5 | C4 | C3 | 117.2° | 119.5° |
| C5 | C4 | H38 | 121.4° | 120.3° |
| C27 | C25 | N24 | 107.4° | 109.4° |
| C27 | C25 | C29 | 105.6° | 109.5° |
| C25 | C27 | H10 | 109.5° | 109.5° |
| C25 | C27 | H11 | 109.4° | 109.5° |
| C25 | C27 | H12 | 109.5° | 109.5° |
| C8 | C9 | C10 | 109.7° | 110.2° |
| C8 | C9 | H36 | 109.4° | 109.4° |
| C8 | C9 | H37 | 109.4° | 109.2° |
| N24 | C25 | C29 | 105.5° | 109.5° |
| C25 | N24 | C23 | 117.9° | 111.0° |
| C25 | N24 | H8 | 107.4° | 111.0° |
| C25 | C29 | N30 | 129.7° | 125.6° |
| C25 | C29 | O33 | 117.2° | 125.7° |
| C4 | C3 | C18 | 118.3° | 119.8° |
| C3 | C4 | H38 | 121.4° | 120.1° |
| C3 | C18 | O21 | 117.3° | 121.1° |
| C3 | C18 | N19 | 117.2° | 117.9° |
| N24 | C23 | C22 | 111.2° | 109.5° |
| N24 | C23 | H6 | 109.0° | 109.5° |
| N24 | C23 | H7 | 109.1° | 109.5° |
| C23 | N24 | H8 | 107.3° | 111.0° |
| C9 | C10 | C11 | 106.1° | 109.3° |
| C9 | C10 | H34 | 110.3° | 109.5° |
| C9 | C10 | H35 | 110.3° | 109.5° |
| C10 | C9 | H36 | 109.4° | 109.3° |
| C10 | C9 | H37 | 109.4° | 109.4° |
| C10 | C11 | C12 | 113.2° | 109.1° |
| C10 | C11 | H32 | 108.5° | 109.5° |
| C10 | C11 | H33 | 108.5° | 109.6° |
| C11 | C10 | H34 | 110.3° | 109.5° |
| C11 | C10 | H35 | 110.3° | 109.5° |
| N30 | C29 | O33 | 113.1° | 108.7° |
| C29 | N30 | C31 | 106.7° | 108.7° |
| C29 | O33 | C32 | 103.3° | 107.8° |
| N30 | C31 | C32 | 106.4° | 107.7° |
| N30 | C31 | H22 | 126.8° | 126.2° |
| O21 | C18 | N19 | 125.5° | 121.1° |
| C18 | N19 | C20 | 123.7° | 116.2° |
| C18 | N19 | H2 | 118.1° | 121.9° |
| C23 | C22 | C20 | 108.4° | 109.5° |
| C23 | C22 | O28 | 106.3° | 109.5° |
| C23 | C22 | H4 | 110.7° | 109.5° |
| C22 | C23 | H6 | 109.0° | 109.5° |
| C22 | C23 | H7 | 109.0° | 109.5° |
| N19 | C20 | C22 | 111.9° | 109.6° |
| N19 | C20 | C16 | 107.4° | 108.6° |
| C20 | N19 | H2 | 118.1° | 121.9° |
| N19 | C20 | H3 | 108.3° | 109.6° |
| O33 | C32 | C31 | 110.5° | 107.1° |
| O33 | C32 | C34 | 120.7° | 126.4° |
| C11 | C12 | C13 | 119.9° | 120.6° |
| C11 | C12 | H31 | 120.1° | 119.7° |
| C12 | C11 | H32 | 108.5° | 109.5° |
| C12 | C11 | H33 | 108.5° | 109.6° |
| C20 | C22 | O28 | 109.1° | 109.5° |
| C22 | C20 | C16 | 113.9° | 109.6° |
| C22 | C20 | H3 | 107.7° | 109.8° |
| C20 | C22 | H4 | 110.7° | 109.5° |
| O28 | C22 | H4 | 111.6° | 109.5° |
| C22 | O28 | H5 | 109.5° | 114.0° |
| C31 | C32 | C34 | 128.6° | 126.5° |
| C32 | C31 | H22 | 126.8° | 126.2° |
| C20 | C16 | O15 | 109.9° | 109.9° |
| C16 | C20 | H3 | 107.6° | 109.7° |
| C20 | C16 | H26 | 109.4° | 109.4° |
| C20 | C16 | H27 | 109.4° | 109.4° |
| C32 | C34 | C37 | 108.5° | 109.5° |
| C32 | C34 | C35 | 119.2° | 109.5° |
| C32 | C34 | C36 | 106.6° | 109.5° |
| C12 | C13 | C14 | 123.1° | 119.7° |
| C12 | C13 | H30 | 118.4° | 120.4° |
| C13 | C12 | H31 | 120.0° | 119.8° |
| C13 | C14 | O15 | 109.4° | 109.2° |
| C13 | C14 | H28 | 109.5° | 109.5° |
| C13 | C14 | H29 | 109.5° | 109.5° |
| C14 | C13 | H30 | 118.5° | 119.8° |
| C16 | O15 | C14 | 113.7° | 113.9° |
| O15 | C16 | H26 | 109.4° | 109.4° |
| O15 | C16 | H27 | 109.4° | 109.4° |
| C37 | C34 | C35 | 106.8° | 109.5° |
| C37 | C34 | C36 | 108.4° | 109.5° |
| C34 | C37 | H13 | 109.5° | 109.5° |
| C34 | C37 | H14 | 109.5° | 109.5° |
| C34 | C37 | H15 | 109.4° | 109.4° |
| C35 | C34 | C36 | 107.0° | 109.4° |
| C34 | C35 | H19 | 109.5° | 109.4° |
| C34 | C35 | H20 | 109.5° | 109.5° |
| C34 | C35 | H21 | 109.5° | 109.5° |
| C34 | C36 | H16 | 109.5° | 109.5° |
| C34 | C36 | H17 | 109.5° | 109.5° |
| C34 | C36 | H18 | 109.4° | 109.5° |
| O15 | C14 | H28 | 109.5° | 109.5° |
| O15 | C14 | H29 | 109.5° | 109.5° |
| H6 | C23 | H7 | 109.5° | 109.5° |
| H10 | C27 | H11 | 109.5° | 109.5° |
| H10 | C27 | H12 | 109.4° | 109.4° |
| H11 | C27 | H12 | 109.5° | 109.5° |
| H13 | C37 | H14 | 109.5° | 109.4° |
| H13 | C37 | H15 | 109.5° | 109.5° |
| H14 | C37 | H15 | 109.5° | 109.4° |
| H16 | C36 | H17 | 109.4° | 109.5° |
| H16 | C36 | H18 | 109.5° | 109.5° |
| H17 | C36 | H18 | 109.5° | 109.5° |
| H19 | C35 | H20 | 109.5° | 109.5° |
| H19 | C35 | H21 | 109.5° | 109.4° |
| H20 | C35 | H21 | 109.4° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.5° |
| H23 | C26 | H25 | 109.5° | 109.4° |
| H24 | C26 | H25 | 109.5° | 109.5° |
| H26 | C16 | H27 | 109.5° | 109.3° |
| H28 | C14 | H29 | 109.5° | 109.6° |
| H32 | C11 | H33 | 109.5° | 109.5° |
| H34 | C10 | H35 | 109.5° | 109.5° |
| H36 | C9 | H37 | 109.5° | 109.4° |
| H40 | C7 | H41 | 109.4° | 109.5° |
| H40 | C7 | H42 | 109.5° | 109.5° |
| H41 | C7 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C1 | C6 | C2 | 178.0° | 179.0° |
| C7 | C1 | C6 | C5 | 179.6° | 179.6° |
| C7 | C1 | C2 | C3 | 178.1° | 178.5° |
| C7 | C1 | C2 | H1 | 1.9° | 1.4° |
| C7 | C1 | C6 | H39 | 0.4° | 0.4° |
| C1 | C7 | H40 | H41 | 120.0° | 120.1° |
| C1 | C7 | H40 | H42 | 120.0° | 119.9° |
| C1 | C7 | H41 | H42 | 120.0° | 120.0° |
| C1 | C6 | C5 | H39 | 180.0° | 179.1° |
| C6 | C1 | C2 | C3 | 0.1° | 0.5° |
| C1 | C6 | C5 | C8 | 176.7° | 176.9° |
| C1 | C6 | C5 | C4 | 1.2° | 2.5° |
| C6 | C1 | C2 | H1 | 179.9° | 179.6° |
| C6 | C1 | C7 | H40 | 91.1° | 90.0° |
| C6 | C1 | C7 | H41 | 148.9° | 150.0° |
| C6 | C1 | C7 | H42 | 28.9° | 30.0° |
| C2 | C1 | C6 | C5 | 1.6° | 1.5° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 1.9° | 1.4° |
| C1 | C2 | C3 | C18 | 178.8° | 177.3° |
| C2 | C1 | C6 | H39 | 178.4° | 179.4° |
| C2 | C1 | C7 | H40 | 91.0° | 89.0° |
| C2 | C1 | C7 | H41 | 29.0° | 31.0° |
| C2 | C1 | C7 | H42 | 149.0° | 151.0° |
| C6 | C5 | C8 | O17 | 11.4° | 11.8° |
| C6 | C5 | C8 | C4 | 177.8° | 179.4° |
| C6 | C5 | C8 | C9 | 173.5° | 168.2° |
| C6 | C5 | C4 | C3 | 0.7° | 1.5° |
| C6 | C5 | C4 | H38 | 179.2° | 178.0° |
| C26 | C25 | C27 | N24 | 121.6° | 120.0° |
| C26 | C25 | C27 | C29 | 126.1° | 120.0° |
| C26 | C25 | N24 | C29 | 123.2° | 120.0° |
| C26 | C25 | N24 | C23 | 60.0° | 60.0° |
| C26 | C25 | C29 | N30 | 9.3° | 175.1° |
| C26 | C25 | C29 | O33 | 171.2° | 5.2° |
| C26 | C25 | N24 | H8 | 61.2° | 63.9° |
| C26 | C25 | C27 | H10 | 180.0° | 180.0° |
| C26 | C25 | C27 | H11 | 60.0° | 60.0° |
| C26 | C25 | C27 | H12 | 60.0° | 60.0° |
| C25 | C26 | H23 | H24 | 120.0° | 120.1° |
| C25 | C26 | H23 | H25 | 120.0° | 120.0° |
| C25 | C26 | H24 | H25 | 120.0° | 120.0° |
| C2 | C3 | C4 | C5 | 2.3° | 0.4° |
| C2 | C3 | C4 | C18 | 179.2° | 178.7° |
| C2 | C3 | C18 | O21 | 43.6° | 20.3° |
| C2 | C3 | C18 | N19 | 134.0° | 160.0° |
| C2 | C3 | C4 | H38 | 177.7° | 180.0° |
| O17 | C8 | C5 | C9 | 175.1° | 180.0° |
| O17 | C8 | C5 | C4 | 166.4° | 168.8° |
| O17 | C8 | C9 | C10 | 123.3° | 79.1° |
| O17 | C8 | C9 | H36 | 116.7° | 160.7° |
| O17 | C8 | C9 | H37 | 3.2° | 41.1° |
| C8 | C5 | C4 | C3 | 178.6° | 177.9° |
| C5 | C8 | C9 | C10 | 61.5° | 100.9° |
| C5 | C8 | C9 | H36 | 58.6° | 19.3° |
| C5 | C8 | C9 | H37 | 178.5° | 138.9° |
| C8 | C5 | C4 | H38 | 1.4° | 2.6° |
| C8 | C5 | C6 | H39 | 3.3° | 2.2° |
| C4 | C5 | C8 | C9 | 8.6° | 11.2° |
| C5 | C4 | C3 | H38 | 180.0° | 179.5° |
| C5 | C4 | C3 | C18 | 178.5° | 178.3° |
| C4 | C5 | C6 | H39 | 178.8° | 178.4° |
| C27 | C25 | N24 | C29 | 112.3° | 120.0° |
| C27 | C25 | N24 | C23 | 175.5° | 60.0° |
| C27 | C25 | C29 | N30 | 135.5° | 65.0° |
| C27 | C25 | C29 | O33 | 45.1° | 114.7° |
| C27 | C25 | N24 | H8 | 63.3° | 176.1° |
| C25 | C27 | H10 | H11 | 120.0° | 120.0° |
| C25 | C27 | H10 | H12 | 120.0° | 120.0° |
| C25 | C27 | H11 | H12 | 120.0° | 120.0° |
| C27 | C25 | C26 | H23 | 180.0° | 60.0° |
| C27 | C25 | C26 | H24 | 60.0° | 60.0° |
| C27 | C25 | C26 | H25 | 60.0° | 180.0° |
| C8 | C9 | C10 | H36 | 120.1° | 120.2° |
| C8 | C9 | C10 | H37 | 120.0° | 120.1° |
| C8 | C9 | C10 | C11 | 170.1° | 168.4° |
| C8 | C9 | C10 | H34 | 70.5° | 71.7° |
| C8 | C9 | C10 | H35 | 50.6° | 48.4° |
| C8 | C9 | H36 | H37 | 119.9° | 119.5° |
| C25 | N24 | C23 | H8 | 121.2° | 123.9° |
| N24 | C25 | C29 | N30 | 110.9° | 55.0° |
| N24 | C25 | C29 | O33 | 68.5° | 125.3° |
| C25 | N24 | C23 | C22 | 167.7° | 179.9° |
| C25 | N24 | C23 | H6 | 47.5° | 60.0° |
| C25 | N24 | C23 | H7 | 72.0° | 60.0° |
| N24 | C25 | C27 | H10 | 58.4° | 60.0° |
| N24 | C25 | C27 | H11 | 61.6° | 180.0° |
| N24 | C25 | C27 | H12 | 178.4° | 60.0° |
| N24 | C25 | C26 | H23 | 59.5° | 59.9° |
| N24 | C25 | C26 | H24 | 179.5° | 180.0° |
| N24 | C25 | C26 | H25 | 60.5° | 60.0° |
| C29 | C25 | N24 | C23 | 63.3° | 180.0° |
| C25 | C29 | N30 | O33 | 179.5° | 179.7° |
| C25 | C29 | N30 | C31 | 178.5° | 179.8° |
| C25 | C29 | O33 | C32 | 179.3° | 180.0° |
| C29 | C25 | N24 | H8 | 175.5° | 56.1° |
| C29 | C25 | C27 | H10 | 53.8° | 60.0° |
| C29 | C25 | C27 | H11 | 173.9° | 60.0° |
| C29 | C25 | C27 | H12 | 66.1° | 180.0° |
| C29 | C25 | C26 | H23 | 58.5° | 180.0° |
| C29 | C25 | C26 | H24 | 61.5° | 60.0° |
| C29 | C25 | C26 | H25 | 178.5° | 60.0° |
| C4 | C3 | C18 | O21 | 135.7° | 161.0° |
| C4 | C3 | C18 | N19 | 46.7° | 18.8° |
| C4 | C3 | C2 | H1 | 178.1° | 178.7° |
| C3 | C18 | O21 | N19 | 177.3° | 179.8° |
| C3 | C18 | N19 | C20 | 171.3° | 166.4° |
| C18 | C3 | C2 | H1 | 1.1° | 2.6° |
| C3 | C18 | N19 | H2 | 8.7° | 13.6° |
| C18 | C3 | C4 | H38 | 1.6° | 1.2° |
| N24 | C23 | C22 | H6 | 120.3° | 120.0° |
| N24 | C23 | C22 | H7 | 120.3° | 120.0° |
| N24 | C23 | C22 | C20 | 179.2° | 176.1° |
| N24 | C23 | C22 | O28 | 62.1° | 63.9° |
| N24 | C23 | C22 | H4 | 59.3° | 56.1° |
| N24 | C23 | H6 | H7 | 119.2° | 120.0° |
| C9 | C10 | C11 | H34 | 119.5° | 119.9° |
| C9 | C10 | C11 | H35 | 119.4° | 119.9° |
| C9 | C10 | C11 | C12 | 70.8° | 95.1° |
| C9 | C10 | C11 | H32 | 49.7° | 24.8° |
| C9 | C10 | C11 | H33 | 168.6° | 145.0° |
| C9 | C10 | H34 | H35 | 121.5° | 120.1° |
| C10 | C9 | H36 | H37 | 119.9° | 119.7° |
| C10 | C11 | C12 | H32 | 120.6° | 119.9° |
| C10 | C11 | C12 | H33 | 120.6° | 120.0° |
| C10 | C11 | C12 | C13 | 83.3° | 124.5° |
| C10 | C11 | C12 | H31 | 96.6° | 54.7° |
| C10 | C11 | H32 | H33 | 118.3° | 120.2° |
| C11 | C10 | H34 | H35 | 121.6° | 120.1° |
| C11 | C10 | C9 | H36 | 50.0° | 48.1° |
| C11 | C10 | C9 | H37 | 69.9° | 71.6° |
| N30 | C29 | O33 | C32 | 1.2° | 0.3° |
| C29 | N30 | C31 | C32 | 2.7° | 0.4° |
| C29 | N30 | C31 | H22 | 177.3° | 179.8° |
| O33 | C29 | N30 | C31 | 1.0° | 0.4° |
| C29 | O33 | C32 | C31 | 2.9° | 0.0° |
| C29 | O33 | C32 | C34 | 178.0° | 180.0° |
| N30 | C31 | C32 | O33 | 3.5° | 0.2° |
| N30 | C31 | C32 | H22 | 180.0° | 179.8° |
| N30 | C31 | C32 | C34 | 178.1° | 179.7° |
| O21 | C18 | N19 | C20 | 11.4° | 13.4° |
| O21 | C18 | N19 | H2 | 168.7° | 166.7° |
| C18 | N19 | C20 | H2 | 180.0° | 180.0° |
| C18 | N19 | C20 | C22 | 102.0° | 46.3° |
| C18 | N19 | C20 | C16 | 132.3° | 166.0° |
| C18 | N19 | C20 | H3 | 16.5° | 74.3° |
| C23 | C22 | C20 | N19 | 58.9° | 180.0° |
| C23 | C22 | C20 | O28 | 115.3° | 120.0° |
| C23 | C22 | C20 | H4 | 121.6° | 120.0° |
| C23 | C22 | O28 | H4 | 120.8° | 120.0° |
| C23 | C22 | C20 | C16 | 179.1° | 60.9° |
| C23 | C22 | C20 | H3 | 60.0° | 59.6° |
| C23 | C22 | O28 | H5 | 180.0° | 60.0° |
| C22 | C23 | H6 | H7 | 119.2° | 120.0° |
| C22 | C23 | N24 | H8 | 71.0° | 56.0° |
| N19 | C20 | C22 | C16 | 122.0° | 119.1° |
| N19 | C20 | C22 | H3 | 118.9° | 120.4° |
| N19 | C20 | C22 | O28 | 174.2° | 60.0° |
| N19 | C20 | C16 | H3 | 116.3° | 119.7° |
| N19 | C20 | C16 | O15 | 59.3° | 47.9° |
| N19 | C20 | C22 | H4 | 62.7° | 60.1° |
| N19 | C20 | C16 | H26 | 60.8° | 168.0° |
| N19 | C20 | C16 | H27 | 179.4° | 72.3° |
| O33 | C32 | C31 | C34 | 174.6° | 180.0° |
| O33 | C32 | C34 | C37 | 51.9° | 60.0° |
| O33 | C32 | C34 | C35 | 174.3° | 180.0° |
| O33 | C32 | C34 | C36 | 64.6° | 60.0° |
| O33 | C32 | C31 | H22 | 176.5° | 180.0° |
| C11 | C12 | C13 | H31 | 180.0° | 179.2° |
| C11 | C12 | C13 | C14 | 179.8° | 178.7° |
| C11 | C12 | C13 | H30 | 0.2° | 1.2° |
| C12 | C11 | H32 | H33 | 118.3° | 120.2° |
| C12 | C11 | C10 | H34 | 169.7° | 145.0° |
| C12 | C11 | C10 | H35 | 48.6° | 24.9° |
| C20 | C22 | O28 | H4 | 122.6° | 120.0° |
| C22 | C20 | C16 | H3 | 119.2° | 120.6° |
| C22 | C20 | C16 | O15 | 176.2° | 71.8° |
| C22 | C20 | N19 | H2 | 78.0° | 133.7° |
| C20 | C22 | O28 | H5 | 63.4° | 60.0° |
| C20 | C22 | C23 | H6 | 58.9° | 56.1° |
| C20 | C22 | C23 | H7 | 60.5° | 63.9° |
| C22 | C20 | C16 | H26 | 63.7° | 48.3° |
| C22 | C20 | C16 | H27 | 56.2° | 168.0° |
| O28 | C22 | C20 | C16 | 63.8° | 59.1° |
| O28 | C22 | C20 | H3 | 55.3° | 179.6° |
| O28 | C22 | C23 | H6 | 58.2° | 176.1° |
| O28 | C22 | C23 | H7 | 177.6° | 56.1° |
| C31 | C32 | C34 | C37 | 133.9° | 120.1° |
| C31 | C32 | C34 | C35 | 11.6° | 0.0° |
| C31 | C32 | C34 | C36 | 109.5° | 119.9° |
| C20 | C16 | O15 | H26 | 120.1° | 120.1° |
| C20 | C16 | O15 | H27 | 120.1° | 120.1° |
| C20 | C16 | O15 | C14 | 157.7° | 142.3° |
| C16 | C20 | N19 | H2 | 47.7° | 14.0° |
| C16 | C20 | C22 | H4 | 59.3° | 179.1° |
| C20 | C16 | H26 | H27 | 119.8° | 119.7° |
| C32 | C34 | C37 | C35 | 129.6° | 120.1° |
| C32 | C34 | C37 | C36 | 115.3° | 120.0° |
| C32 | C34 | C35 | C36 | 120.8° | 120.0° |
| C32 | C34 | C37 | H13 | 180.0° | 60.0° |
| C32 | C34 | C37 | H14 | 60.0° | 180.0° |
| C32 | C34 | C37 | H15 | 60.0° | 60.0° |
| C32 | C34 | C36 | H16 | 180.0° | 60.0° |
| C32 | C34 | C36 | H17 | 60.0° | 180.0° |
| C32 | C34 | C36 | H18 | 60.0° | 60.0° |
| C32 | C34 | C35 | H19 | 180.0° | 60.0° |
| C32 | C34 | C35 | H20 | 60.0° | 180.0° |
| C32 | C34 | C35 | H21 | 60.0° | 59.9° |
| C34 | C32 | C31 | H22 | 1.9° | 0.1° |
| C12 | C13 | C14 | H30 | 180.0° | 179.8° |
| C12 | C13 | C14 | O15 | 114.0° | 109.0° |
| C12 | C13 | C14 | H28 | 5.9° | 131.1° |
| C12 | C13 | C14 | H29 | 126.0° | 10.9° |
| C13 | C12 | C11 | H32 | 156.1° | 4.6° |
| C13 | C12 | C11 | H33 | 37.2° | 115.6° |
| C13 | C14 | O15 | C16 | 77.6° | 149.9° |
| C13 | C14 | O15 | H28 | 120.0° | 119.9° |
| C13 | C14 | O15 | H29 | 120.0° | 120.0° |
| C13 | C14 | H28 | H29 | 120.1° | 120.2° |
| C14 | C13 | C12 | H31 | 0.2° | 0.5° |
| O15 | C16 | C20 | H3 | 57.0° | 167.6° |
| O15 | C16 | H26 | H27 | 119.8° | 119.8° |
| C16 | O15 | C14 | H28 | 162.4° | 90.2° |
| C16 | O15 | C14 | H29 | 42.4° | 29.9° |
| C37 | C34 | C35 | C36 | 116.0° | 120.0° |
| C34 | C37 | H13 | H14 | 120.0° | 120.1° |
| C34 | C37 | H13 | H15 | 120.0° | 120.0° |
| C34 | C37 | H14 | H15 | 120.0° | 120.0° |
| C37 | C34 | C36 | H16 | 63.4° | 180.0° |
| C37 | C34 | C36 | H17 | 176.6° | 60.0° |
| C37 | C34 | C36 | H18 | 56.6° | 60.0° |
| C37 | C34 | C35 | H19 | 56.8° | 60.0° |
| C37 | C34 | C35 | H20 | 63.2° | 60.0° |
| C37 | C34 | C35 | H21 | 176.8° | 180.0° |
| C35 | C34 | C37 | H13 | 50.4° | 180.0° |
| C35 | C34 | C37 | H14 | 170.4° | 59.9° |
| C35 | C34 | C37 | H15 | 69.6° | 60.0° |
| C35 | C34 | C36 | H16 | 51.5° | 60.0° |
| C35 | C34 | C36 | H17 | 68.5° | 60.0° |
| C35 | C34 | C36 | H18 | 171.5° | 180.0° |
| C34 | C35 | H19 | H20 | 120.0° | 120.0° |
| C34 | C35 | H19 | H21 | 120.0° | 120.0° |
| C34 | C35 | H20 | H21 | 120.0° | 120.1° |
| C36 | C34 | C37 | H13 | 64.7° | 60.0° |
| C36 | C34 | C37 | H14 | 55.3° | 60.0° |
| C36 | C34 | C37 | H15 | 175.3° | 180.0° |
| C34 | C36 | H16 | H17 | 120.0° | 120.0° |
| C34 | C36 | H16 | H18 | 120.0° | 120.0° |
| C34 | C36 | H17 | H18 | 120.0° | 120.0° |
| C36 | C34 | C35 | H19 | 59.2° | 180.0° |
| C36 | C34 | C35 | H20 | 179.2° | 60.0° |
| C36 | C34 | C35 | H21 | 60.8° | 60.1° |
| C14 | O15 | C16 | H26 | 37.7° | 97.6° |
| C14 | O15 | C16 | H27 | 82.2° | 22.2° |
| O15 | C14 | H28 | H29 | 120.0° | 120.1° |
| O15 | C14 | C13 | H30 | 66.0° | 70.8° |
| H2 | N19 | C20 | H3 | 163.5° | 105.8° |
| H3 | C20 | C22 | H4 | 178.5° | 60.4° |
| H3 | C20 | C16 | H26 | 177.1° | 72.3° |
| H3 | C20 | C16 | H27 | 63.1° | 47.4° |
| H4 | C22 | O28 | H5 | 59.2° | 180.0° |
| H4 | C22 | C23 | H6 | 179.5° | 63.9° |
| H4 | C22 | C23 | H7 | 61.0° | 176.1° |
| H6 | C23 | N24 | H8 | 168.7° | 64.0° |
| H7 | C23 | N24 | H8 | 49.2° | 176.1° |
| H10 | C27 | H11 | H12 | 120.0° | 119.9° |
| H13 | C37 | H14 | H15 | 120.0° | 120.0° |
| H16 | C36 | H17 | H18 | 120.0° | 120.0° |
| H19 | C35 | H20 | H21 | 120.0° | 119.9° |
| H23 | C26 | H24 | H25 | 120.0° | 119.9° |
| H28 | C14 | C13 | H30 | 174.1° | 49.1° |
| H29 | C14 | C13 | H30 | 54.0° | 169.2° |
| H30 | C13 | C12 | H31 | 179.8° | 179.7° |
| H31 | C12 | C11 | H32 | 23.9° | 174.6° |
| H31 | C12 | C11 | H33 | 142.8° | 65.3° |
| H32 | C11 | C10 | H34 | 69.7° | 95.1° |
| H32 | C11 | C10 | H35 | 169.2° | 144.7° |
| H33 | C11 | C10 | H34 | 49.2° | 25.0° |
| H33 | C11 | C10 | H35 | 71.9° | 95.1° |
| H34 | C10 | C9 | H36 | 169.5° | 168.1° |
| H34 | C10 | C9 | H37 | 49.6° | 48.4° |
| H35 | C10 | C9 | H36 | 69.4° | 71.8° |
| H35 | C10 | C9 | H37 | 170.6° | 168.5° |
| H40 | C7 | H41 | H42 | 120.0° | 120.0° |
