A1JN3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | O30 | sing | 1.43Å | 1.45Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| O30 | C26 | sing | 1.36Å | 1.38Å | |
| C26 | C23 | doub | 1.40Å | 1.43Å | Aromatic |
| C29 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.41Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.48Å | 1.44Å | |
| C22 | C20 | sing | 1.48Å | 1.47Å | |
| O25 | C24 | doub | 1.22Å | 1.24Å | |
| C24 | C16 | sing | 1.47Å | 1.45Å | |
| C20 | O21 | doub | 1.22Å | 1.25Å | |
| C20 | C17 | sing | 1.47Å | 1.43Å | |
| C16 | C17 | doub | 1.41Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| O32 | C15 | sing | 1.36Å | 1.42Å | |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | O19 | sing | 1.36Å | 1.36Å | |
| C18 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.37Å | 1.39Å | Aromatic |
| C14 | C9 | sing | 1.51Å | 1.50Å | |
| N37 | C4 | sing | 1.47Å | 1.50Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C6 | O8 | sing | 1.43Å | 1.40Å | |
| C6 | O7 | sing | 1.43Å | 1.41Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| O8 | C9 | sing | 1.43Å | 1.41Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.57Å | |
| O7 | C2 | sing | 1.43Å | 1.43Å | |
| O38 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| O36 | C11 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C11 | C33 | sing | 1.53Å | 1.54Å | |
| C33 | O35 | sing | 1.43Å | 1.44Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| O19 | H15 | sing | 0.97Å | 0.95Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| O32 | H22 | sing | 0.97Å | 0.95Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| O35 | H27 | sing | 0.97Å | 0.95Å | |
| O36 | H28 | sing | 0.97Å | 0.95Å | |
| N37 | H29 | sing | 1.01Å | 1.00Å | |
| N37 | H30 | sing | 1.01Å | 1.00Å | |
| O38 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | O30 | C26 | 118.4° | 117.0° |
| O30 | C31 | H19 | 109.5° | 109.4° |
| O30 | C31 | H20 | 109.5° | 109.5° |
| O30 | C31 | H21 | 109.4° | 109.5° |
| C28 | C27 | C26 | 118.7° | 120.4° |
| C27 | C28 | C29 | 121.8° | 120.6° |
| C28 | C27 | H16 | 120.6° | 119.9° |
| C27 | C28 | H17 | 119.1° | 119.7° |
| C27 | C26 | O30 | 123.4° | 120.2° |
| C27 | C26 | C23 | 120.2° | 119.6° |
| C26 | C27 | H16 | 120.6° | 119.8° |
| C28 | C29 | C22 | 119.7° | 119.9° |
| C29 | C28 | H17 | 119.1° | 119.7° |
| C28 | C29 | H18 | 120.2° | 120.1° |
| O30 | C26 | C23 | 116.2° | 120.2° |
| C26 | C23 | C22 | 119.6° | 119.7° |
| C26 | C23 | C24 | 121.7° | 120.6° |
| C29 | C22 | C23 | 119.8° | 119.8° |
| C29 | C22 | C20 | 118.9° | 120.6° |
| C22 | C29 | H18 | 120.1° | 120.0° |
| C22 | C23 | C24 | 118.6° | 119.7° |
| C23 | C22 | C20 | 121.3° | 119.7° |
| C23 | C24 | O25 | 119.5° | 120.4° |
| C23 | C24 | C16 | 119.7° | 119.2° |
| C22 | C20 | O21 | 121.4° | 120.4° |
| C22 | C20 | C17 | 118.0° | 119.2° |
| O25 | C24 | C16 | 120.4° | 120.4° |
| C24 | C16 | C17 | 121.2° | 119.7° |
| C24 | C16 | C15 | 119.2° | 120.9° |
| O21 | C20 | C17 | 120.5° | 120.4° |
| C20 | C17 | C16 | 120.5° | 119.6° |
| C20 | C17 | C18 | 119.8° | 120.9° |
| C17 | C16 | C15 | 119.5° | 119.4° |
| C16 | C17 | C18 | 119.7° | 119.4° |
| C16 | C15 | O32 | 119.6° | 119.7° |
| C16 | C15 | C14 | 120.5° | 120.5° |
| O32 | C15 | C14 | 119.9° | 119.8° |
| C15 | O32 | H22 | 109.5° | 113.9° |
| C17 | C18 | O19 | 119.1° | 119.8° |
| C17 | C18 | C13 | 122.0° | 120.5° |
| C15 | C14 | C13 | 120.9° | 120.1° |
| C15 | C14 | C9 | 119.4° | 117.3° |
| O19 | C18 | C13 | 118.5° | 119.7° |
| C18 | O19 | H15 | 109.5° | 114.0° |
| C18 | C13 | C14 | 117.1° | 120.1° |
| C18 | C13 | C12 | 120.2° | 117.4° |
| C6 | C5 | C4 | 110.1° | 109.1° |
| C5 | C6 | O8 | 111.1° | 109.5° |
| C5 | C6 | O7 | 111.9° | 109.4° |
| C6 | C5 | H7 | 109.3° | 109.5° |
| C6 | C5 | H8 | 109.3° | 109.5° |
| C5 | C6 | H9 | 107.8° | 109.4° |
| C5 | C4 | N37 | 107.5° | 109.6° |
| C5 | C4 | C3 | 111.5° | 109.0° |
| C5 | C4 | H6 | 109.3° | 109.5° |
| C4 | C5 | H7 | 109.3° | 109.5° |
| C4 | C5 | H8 | 109.3° | 109.5° |
| C13 | C14 | C9 | 119.6° | 122.5° |
| C14 | C13 | C12 | 122.8° | 122.6° |
| C14 | C9 | O8 | 107.9° | 109.2° |
| C14 | C9 | C10 | 108.6° | 110.7° |
| C14 | C9 | H10 | 108.4° | 109.2° |
| N37 | C4 | C3 | 109.9° | 109.5° |
| N37 | C4 | H6 | 109.6° | 109.6° |
| C4 | N37 | H29 | 109.5° | 111.0° |
| C4 | N37 | H30 | 109.5° | 111.0° |
| C13 | C12 | C11 | 114.1° | 110.6° |
| C13 | C12 | H13 | 108.3° | 109.2° |
| C13 | C12 | H14 | 108.3° | 109.2° |
| O8 | C6 | O7 | 107.8° | 109.5° |
| C6 | O8 | C9 | 99.1° | 114.0° |
| O8 | C6 | H9 | 109.2° | 109.5° |
| C6 | O7 | C2 | 115.3° | 114.1° |
| O7 | C6 | H9 | 109.1° | 109.4° |
| C4 | C3 | O38 | 109.3° | 109.6° |
| C4 | C3 | C2 | 110.0° | 109.2° |
| C4 | C3 | H5 | 108.6° | 109.5° |
| C3 | C4 | H6 | 109.1° | 109.6° |
| O8 | C9 | C10 | 113.9° | 109.2° |
| O8 | C9 | H10 | 109.6° | 109.2° |
| C9 | C10 | C11 | 110.3° | 108.3° |
| C10 | C9 | H10 | 108.3° | 109.3° |
| C9 | C10 | H11 | 109.3° | 109.7° |
| C9 | C10 | H12 | 109.3° | 109.8° |
| C12 | C11 | C10 | 108.9° | 108.3° |
| C12 | C11 | O36 | 114.7° | 109.7° |
| C12 | C11 | C33 | 114.2° | 109.6° |
| C11 | C12 | H13 | 108.3° | 109.2° |
| C11 | C12 | H14 | 108.3° | 109.2° |
| O7 | C2 | C3 | 108.5° | 109.4° |
| O7 | C2 | C1 | 99.6° | 109.5° |
| O7 | C2 | H4 | 112.2° | 109.5° |
| O38 | C3 | C2 | 110.4° | 109.5° |
| O38 | C3 | H5 | 110.0° | 109.5° |
| C3 | O38 | H32 | 109.5° | 114.1° |
| C3 | C2 | C1 | 114.4° | 109.5° |
| C3 | C2 | H4 | 110.7° | 109.5° |
| C2 | C3 | H5 | 108.6° | 109.5° |
| C10 | C11 | O36 | 103.1° | 109.7° |
| C10 | C11 | C33 | 107.8° | 109.7° |
| C11 | C10 | H11 | 109.2° | 109.7° |
| C11 | C10 | H12 | 109.3° | 109.6° |
| O36 | C11 | C33 | 107.4° | 109.7° |
| C11 | O36 | H28 | 109.5° | 114.1° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 111.0° | 109.4° |
| C11 | C33 | O35 | 118.5° | 109.5° |
| C11 | C33 | C34 | 112.7° | 109.5° |
| C11 | C33 | H23 | 102.6° | 109.4° |
| O35 | C33 | C34 | 114.2° | 109.5° |
| O35 | C33 | H23 | 103.5° | 109.5° |
| C33 | O35 | H27 | 109.5° | 114.0° |
| C34 | C33 | H23 | 102.8° | 109.5° |
| C33 | C34 | H24 | 109.5° | 109.4° |
| C33 | C34 | H25 | 109.5° | 109.5° |
| C33 | C34 | H26 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.6° |
| H11 | C10 | H12 | 109.5° | 109.7° |
| H13 | C12 | H14 | 109.5° | 109.3° |
| H19 | C31 | H20 | 109.5° | 109.5° |
| H19 | C31 | H21 | 109.5° | 109.5° |
| H20 | C31 | H21 | 109.5° | 109.5° |
| H24 | C34 | H25 | 109.5° | 109.5° |
| H24 | C34 | H26 | 109.5° | 109.5° |
| H25 | C34 | H26 | 109.4° | 109.5° |
| H29 | N37 | H30 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | O30 | C26 | C27 | 7.3° | 0.0° |
| C31 | O30 | C26 | C23 | 177.4° | 180.0° |
| O30 | C31 | H19 | H20 | 120.0° | 120.0° |
| O30 | C31 | H19 | H21 | 120.0° | 120.0° |
| O30 | C31 | H20 | H21 | 120.0° | 120.1° |
| C28 | C27 | C26 | H16 | 180.0° | 180.0° |
| C27 | C28 | C29 | H17 | 180.0° | 179.9° |
| C28 | C27 | C26 | O30 | 173.2° | 180.0° |
| C28 | C27 | C26 | C23 | 1.9° | 0.0° |
| C27 | C28 | C29 | C22 | 0.1° | 0.1° |
| C27 | C28 | C29 | H18 | 179.9° | 180.0° |
| C26 | C27 | C28 | C29 | 0.9° | 0.0° |
| C27 | C26 | O30 | C23 | 175.2° | 180.0° |
| C27 | C26 | C23 | C22 | 1.9° | 0.0° |
| C27 | C26 | C23 | C24 | 178.8° | 180.0° |
| C26 | C27 | C28 | H17 | 179.1° | 180.0° |
| C28 | C29 | C22 | H18 | 180.0° | 179.9° |
| C28 | C29 | C22 | C23 | 0.1° | 0.1° |
| C28 | C29 | C22 | C20 | 178.7° | 179.9° |
| C29 | C28 | C27 | H16 | 179.1° | 180.0° |
| O30 | C26 | C23 | C22 | 173.5° | 180.0° |
| O30 | C26 | C23 | C24 | 3.4° | 0.0° |
| O30 | C26 | C27 | H16 | 6.8° | 0.0° |
| C26 | O30 | C31 | H19 | 180.0° | 180.0° |
| C26 | O30 | C31 | H20 | 60.0° | 60.1° |
| C26 | O30 | C31 | H21 | 60.0° | 60.0° |
| C26 | C23 | C22 | C29 | 0.8° | 0.0° |
| C26 | C23 | C22 | C24 | 177.0° | 180.0° |
| C26 | C23 | C22 | C20 | 177.7° | 179.9° |
| C26 | C23 | C24 | O25 | 0.1° | 13.8° |
| C26 | C23 | C24 | C16 | 173.2° | 166.1° |
| C23 | C26 | C27 | H16 | 178.1° | 180.0° |
| C29 | C22 | C23 | C20 | 178.5° | 179.9° |
| C29 | C22 | C23 | C24 | 177.8° | 180.0° |
| C29 | C22 | C20 | O21 | 6.4° | 13.8° |
| C29 | C22 | C20 | C17 | 171.1° | 166.2° |
| C22 | C29 | C28 | H17 | 179.9° | 180.0° |
| C22 | C23 | C24 | O25 | 177.0° | 166.1° |
| C22 | C23 | C24 | C16 | 3.7° | 14.0° |
| C23 | C22 | C20 | O21 | 175.1° | 166.2° |
| C23 | C22 | C20 | C17 | 7.4° | 13.8° |
| C23 | C22 | C29 | H18 | 179.9° | 180.0° |
| C24 | C23 | C22 | C20 | 0.7° | 0.1° |
| C23 | C24 | O25 | C16 | 173.2° | 179.9° |
| C23 | C24 | C16 | C17 | 1.3° | 13.9° |
| C23 | C24 | C16 | C15 | 177.2° | 166.1° |
| C22 | C20 | O21 | C17 | 177.4° | 180.0° |
| C22 | C20 | C17 | C16 | 9.9° | 13.8° |
| C22 | C20 | C17 | C18 | 171.5° | 166.1° |
| C20 | C22 | C29 | H18 | 1.3° | 0.0° |
| O25 | C24 | C16 | C17 | 174.5° | 166.1° |
| O25 | C24 | C16 | C15 | 4.0° | 13.8° |
| C24 | C16 | C17 | C20 | 5.7° | 0.1° |
| C24 | C16 | C17 | C15 | 178.5° | 180.0° |
| C24 | C16 | C15 | O32 | 2.4° | 0.1° |
| C24 | C16 | C17 | C18 | 175.7° | 180.0° |
| C24 | C16 | C15 | C14 | 179.6° | 179.8° |
| O21 | C20 | C17 | C16 | 172.6° | 166.2° |
| O21 | C20 | C17 | C18 | 6.1° | 13.9° |
| C20 | C17 | C16 | C18 | 178.6° | 179.9° |
| C20 | C17 | C16 | C15 | 175.8° | 179.9° |
| C20 | C17 | C18 | O19 | 14.8° | 0.2° |
| C20 | C17 | C18 | C13 | 172.6° | 179.9° |
| C17 | C16 | C15 | O32 | 176.1° | 179.9° |
| C17 | C16 | C15 | C14 | 1.9° | 0.2° |
| C16 | C17 | C18 | O19 | 166.5° | 179.9° |
| C16 | C17 | C18 | C13 | 6.0° | 0.0° |
| C16 | C15 | O32 | C14 | 178.0° | 179.9° |
| C15 | C16 | C17 | C18 | 2.8° | 0.0° |
| C16 | C15 | C14 | C13 | 3.7° | 0.3° |
| C16 | C15 | C14 | C9 | 176.1° | 179.5° |
| C16 | C15 | O32 | H22 | 0.6° | 90.1° |
| O32 | C15 | C14 | C13 | 174.3° | 179.8° |
| O32 | C15 | C14 | C9 | 5.9° | 0.4° |
| C17 | C18 | O19 | C13 | 172.8° | 180.0° |
| C17 | C18 | C13 | C14 | 4.2° | 0.0° |
| C17 | C18 | C13 | C12 | 174.8° | 179.9° |
| C17 | C18 | O19 | H15 | 16.5° | 90.0° |
| C15 | C14 | C13 | C18 | 0.6° | 0.2° |
| C15 | C14 | C13 | C9 | 179.8° | 179.8° |
| C15 | C14 | C13 | C12 | 179.6° | 179.7° |
| C15 | C14 | C9 | O8 | 87.7° | 77.0° |
| C15 | C14 | C9 | C10 | 148.4° | 162.7° |
| C15 | C14 | C9 | H10 | 30.9° | 42.3° |
| C14 | C15 | O32 | H22 | 178.6° | 90.0° |
| O19 | C18 | C13 | C14 | 168.4° | 180.0° |
| O19 | C18 | C13 | C12 | 12.6° | 0.1° |
| C18 | C13 | C14 | C12 | 179.0° | 179.9° |
| C18 | C13 | C14 | C9 | 179.2° | 179.6° |
| C18 | C13 | C12 | C11 | 179.6° | 162.3° |
| C18 | C13 | C12 | H13 | 59.7° | 77.4° |
| C18 | C13 | C12 | H14 | 58.9° | 42.0° |
| C13 | C18 | O19 | H15 | 170.7° | 90.0° |
| C6 | C5 | C4 | H7 | 120.1° | 119.9° |
| C6 | C5 | C4 | H8 | 120.1° | 119.9° |
| C6 | C5 | C4 | N37 | 170.9° | 176.9° |
| C5 | C6 | O8 | O7 | 122.9° | 120.0° |
| C5 | C6 | O8 | H9 | 118.8° | 120.0° |
| C5 | C6 | O7 | H9 | 119.1° | 119.9° |
| C6 | C5 | C4 | C3 | 50.5° | 57.0° |
| C5 | C6 | O8 | C9 | 151.8° | 166.9° |
| C5 | C6 | O7 | C2 | 59.3° | 61.2° |
| C6 | C5 | C4 | H6 | 70.2° | 62.9° |
| C6 | C5 | H7 | H8 | 119.7° | 120.2° |
| C5 | C4 | N37 | C3 | 121.5° | 119.6° |
| C5 | C4 | N37 | H6 | 118.6° | 120.2° |
| C4 | C5 | C6 | O8 | 68.8° | 62.4° |
| C4 | C5 | C6 | O7 | 51.7° | 57.6° |
| C5 | C4 | C3 | H6 | 120.8° | 119.9° |
| C5 | C4 | C3 | O38 | 67.8° | 63.0° |
| C5 | C4 | C3 | C2 | 53.6° | 57.0° |
| C5 | C4 | C3 | H5 | 172.3° | 176.9° |
| C4 | C5 | H7 | H8 | 119.7° | 120.2° |
| C4 | C5 | C6 | H9 | 171.6° | 177.6° |
| C5 | C4 | N37 | H29 | 180.0° | 60.5° |
| C5 | C4 | N37 | H30 | 60.0° | 175.6° |
| C13 | C14 | C9 | O8 | 92.1° | 102.8° |
| C13 | C14 | C9 | C10 | 31.8° | 17.5° |
| C14 | C13 | C12 | C11 | 1.4° | 17.8° |
| C13 | C14 | C9 | H10 | 149.3° | 137.9° |
| C14 | C13 | C12 | H13 | 119.2° | 102.5° |
| C14 | C13 | C12 | H14 | 122.1° | 138.0° |
| C9 | C14 | C13 | C12 | 0.2° | 0.5° |
| C14 | C9 | O8 | C6 | 132.9° | 138.7° |
| C14 | C9 | O8 | C10 | 120.7° | 121.2° |
| C14 | C9 | O8 | H10 | 117.9° | 119.4° |
| C14 | C9 | C10 | H10 | 117.5° | 120.3° |
| C14 | C9 | C10 | C11 | 65.1° | 51.0° |
| C14 | C9 | C10 | H11 | 55.0° | 68.7° |
| C14 | C9 | C10 | H12 | 174.8° | 170.7° |
| N37 | C4 | C3 | H6 | 120.1° | 120.2° |
| N37 | C4 | C3 | O38 | 51.3° | 56.9° |
| N37 | C4 | C3 | C2 | 172.7° | 176.9° |
| N37 | C4 | C3 | H5 | 68.6° | 63.2° |
| N37 | C4 | C5 | H7 | 50.8° | 63.2° |
| N37 | C4 | C5 | H8 | 69.0° | 57.0° |
| C4 | N37 | H29 | H30 | 120.0° | 123.9° |
| C13 | C12 | C11 | H13 | 120.7° | 120.3° |
| C13 | C12 | C11 | H14 | 120.7° | 120.2° |
| C13 | C12 | C11 | C10 | 29.6° | 51.2° |
| C13 | C12 | C11 | O36 | 85.3° | 68.5° |
| C13 | C12 | C11 | C33 | 150.1° | 170.9° |
| C13 | C12 | H13 | H14 | 117.9° | 119.4° |
| O8 | C6 | O7 | H9 | 118.5° | 120.0° |
| C6 | O8 | C9 | C10 | 106.5° | 100.1° |
| O8 | C6 | O7 | C2 | 63.1° | 58.9° |
| O8 | C6 | C5 | H7 | 171.1° | 57.5° |
| O8 | C6 | C5 | H8 | 51.3° | 177.7° |
| C6 | O8 | C9 | H10 | 15.0° | 19.4° |
| O7 | C6 | O8 | C9 | 85.4° | 73.1° |
| C6 | O7 | C2 | C3 | 60.8° | 61.1° |
| C6 | O7 | C2 | C1 | 179.3° | 178.9° |
| C6 | O7 | C2 | H4 | 61.9° | 58.9° |
| O7 | C6 | C5 | H7 | 68.4° | 177.5° |
| O7 | C6 | C5 | H8 | 171.8° | 62.3° |
| C4 | C3 | C2 | O7 | 56.2° | 57.6° |
| C4 | C3 | O38 | C2 | 121.1° | 119.8° |
| C4 | C3 | O38 | H5 | 119.1° | 120.1° |
| C4 | C3 | C2 | H5 | 118.7° | 119.9° |
| C4 | C3 | C2 | C1 | 166.4° | 177.6° |
| C4 | C3 | C2 | H4 | 67.4° | 62.4° |
| C3 | C4 | C5 | H7 | 69.6° | 176.9° |
| C3 | C4 | C5 | H8 | 170.6° | 62.9° |
| C3 | C4 | N37 | H29 | 58.5° | 180.0° |
| C3 | C4 | N37 | H30 | 61.5° | 56.1° |
| C4 | C3 | O38 | H32 | 180.0° | 179.7° |
| O8 | C9 | C10 | H10 | 122.2° | 119.3° |
| O8 | C9 | C10 | C11 | 55.2° | 69.4° |
| C9 | O8 | C6 | H9 | 33.0° | 46.9° |
| O8 | C9 | C10 | H11 | 175.3° | 171.0° |
| O8 | C9 | C10 | H12 | 64.9° | 50.3° |
| C9 | C10 | C11 | C12 | 63.8° | 69.8° |
| C9 | C10 | C11 | H11 | 120.1° | 119.7° |
| C9 | C10 | C11 | H12 | 120.1° | 119.8° |
| C9 | C10 | C11 | O36 | 58.4° | 49.9° |
| C9 | C10 | C11 | C33 | 171.8° | 170.6° |
| C9 | C10 | H11 | H12 | 119.6° | 120.6° |
| C12 | C11 | C10 | O36 | 122.2° | 119.7° |
| C12 | C11 | C10 | C33 | 124.4° | 119.6° |
| C12 | C11 | O36 | C33 | 128.1° | 120.5° |
| C12 | C11 | C33 | O35 | 35.4° | 63.9° |
| C12 | C11 | C33 | C34 | 101.7° | 56.2° |
| C12 | C11 | C10 | H11 | 56.3° | 49.9° |
| C12 | C11 | C10 | H12 | 176.1° | 170.4° |
| C11 | C12 | H13 | H14 | 117.9° | 119.5° |
| C12 | C11 | C33 | H23 | 148.5° | 176.1° |
| C12 | C11 | O36 | H28 | 180.0° | 61.1° |
| O7 | C2 | C3 | O38 | 64.5° | 62.4° |
| O7 | C2 | C3 | C1 | 110.2° | 120.0° |
| O7 | C2 | C3 | H4 | 123.6° | 120.0° |
| O7 | C2 | C1 | H4 | 118.4° | 120.0° |
| O7 | C2 | C1 | H1 | 180.0° | 180.0° |
| O7 | C2 | C1 | H2 | 60.0° | 60.0° |
| O7 | C2 | C1 | H3 | 60.0° | 60.0° |
| O7 | C2 | C3 | H5 | 174.9° | 177.5° |
| C2 | O7 | C6 | H9 | 178.4° | 178.9° |
| O38 | C3 | C2 | H5 | 120.7° | 120.1° |
| O38 | C3 | C2 | C1 | 45.7° | 57.6° |
| O38 | C3 | C2 | H4 | 172.0° | 177.6° |
| O38 | C3 | C4 | H6 | 171.5° | 177.2° |
| C3 | C2 | C1 | H4 | 126.1° | 120.0° |
| C3 | C2 | C1 | H1 | 64.5° | 60.0° |
| C3 | C2 | C1 | H2 | 175.5° | 180.0° |
| C3 | C2 | C1 | H3 | 55.5° | 60.0° |
| C2 | C3 | C4 | H6 | 67.2° | 62.9° |
| C2 | C3 | O38 | H32 | 58.9° | 60.0° |
| C10 | C11 | O36 | C33 | 113.7° | 120.6° |
| C10 | C11 | C33 | O35 | 85.8° | 54.9° |
| C10 | C11 | C33 | C34 | 137.1° | 175.0° |
| C11 | C10 | C9 | H10 | 177.4° | 171.3° |
| C11 | C10 | H11 | H12 | 119.6° | 120.5° |
| C10 | C11 | C12 | H13 | 150.3° | 69.1° |
| C10 | C11 | C12 | H14 | 91.1° | 171.4° |
| C10 | C11 | C33 | H23 | 27.3° | 65.0° |
| C10 | C11 | O36 | H28 | 61.8° | 180.0° |
| O36 | C11 | C33 | O35 | 163.8° | 175.6° |
| O36 | C11 | C33 | C34 | 26.7° | 64.4° |
| O36 | C11 | C10 | H11 | 178.5° | 169.6° |
| O36 | C11 | C10 | H12 | 61.8° | 69.9° |
| O36 | C11 | C12 | H13 | 35.4° | 171.2° |
| O36 | C11 | C12 | H14 | 154.1° | 51.7° |
| O36 | C11 | C33 | H23 | 83.1° | 55.6° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 75.0° | 62.5° |
| C11 | C33 | O35 | C34 | 136.5° | 120.0° |
| C11 | C33 | O35 | H23 | 112.6° | 120.0° |
| C11 | C33 | C34 | H23 | 109.7° | 119.9° |
| C33 | C11 | C10 | H11 | 68.1° | 69.8° |
| C33 | C11 | C10 | H12 | 51.7° | 50.8° |
| C33 | C11 | C12 | H13 | 89.2° | 50.6° |
| C33 | C11 | C12 | H14 | 29.5° | 68.9° |
| C11 | C33 | C34 | H24 | 180.0° | 179.9° |
| C11 | C33 | C34 | H25 | 60.0° | 60.0° |
| C11 | C33 | C34 | H26 | 60.0° | 60.1° |
| C11 | C33 | O35 | H27 | 180.0° | 180.0° |
| C33 | C11 | O36 | H28 | 51.9° | 59.4° |
| O35 | C33 | C34 | H23 | 111.3° | 120.0° |
| O35 | C33 | C34 | H24 | 41.0° | 60.0° |
| O35 | C33 | C34 | H25 | 161.0° | 180.0° |
| O35 | C33 | C34 | H26 | 79.0° | 60.0° |
| C33 | C34 | H24 | H25 | 120.0° | 120.0° |
| C33 | C34 | H24 | H26 | 120.0° | 120.0° |
| C33 | C34 | H25 | H26 | 120.0° | 120.0° |
| C34 | C33 | O35 | H27 | 43.6° | 60.0° |
| H1 | C1 | H2 | H3 | 119.9° | 120.0° |
| H1 | C1 | C2 | H4 | 61.6° | 60.0° |
| H2 | C1 | C2 | H4 | 58.4° | 60.0° |
| H3 | C1 | C2 | H4 | 178.4° | 180.0° |
| H4 | C2 | C3 | H5 | 51.3° | 57.5° |
| H5 | C3 | C4 | H6 | 51.5° | 57.0° |
| H5 | C3 | O38 | H32 | 60.9° | 60.2° |
| H6 | C4 | C5 | H7 | 169.7° | 57.0° |
| H6 | C4 | C5 | H8 | 49.9° | 177.2° |
| H6 | C4 | N37 | H29 | 61.3° | 59.8° |
| H6 | C4 | N37 | H30 | 178.6° | 64.1° |
| H7 | C5 | C6 | H9 | 51.5° | 62.5° |
| H8 | C5 | C6 | H9 | 68.3° | 57.7° |
| H10 | C9 | C10 | H11 | 62.5° | 51.6° |
| H10 | C9 | C10 | H12 | 57.2° | 69.0° |
| H16 | C27 | C28 | H17 | 0.9° | 0.0° |
| H17 | C28 | C29 | H18 | 0.1° | 0.1° |
| H19 | C31 | H20 | H21 | 120.0° | 120.0° |
| H23 | C33 | C34 | H24 | 70.3° | 60.0° |
| H23 | C33 | C34 | H25 | 49.7° | 60.0° |
| H23 | C33 | C34 | H26 | 169.6° | 180.0° |
| H23 | C33 | O35 | H27 | 67.4° | 60.0° |
| H24 | C34 | H25 | H26 | 120.0° | 120.1° |
