WJ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F37 | C36 | sing | 1.40Å | 1.40Å | |
| F38 | C36 | sing | 1.40Å | 1.40Å | |
| C36 | F39 | sing | 1.40Å | 1.40Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | sing | 1.55Å | 1.55Å | |
| C32 | C34 | sing | 1.55Å | 1.56Å | |
| C31 | C30 | sing | 1.54Å | 1.54Å | |
| C34 | N29 | sing | 1.47Å | 1.48Å | |
| C30 | N29 | sing | 1.47Å | 1.47Å | |
| N29 | C27 | sing | 1.35Å | 1.36Å | |
| O28 | C27 | doub | 1.22Å | 1.22Å | |
| C27 | N26 | sing | 1.35Å | 1.37Å | |
| N26 | C21 | sing | 1.40Å | 1.41Å | |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C9 | sing | 1.48Å | 1.47Å | |
| C19 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | O16 | sing | 1.43Å | 1.44Å | |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | O5 | sing | 1.43Å | 1.44Å | |
| C4 | C2 | sing | 1.53Å | 1.56Å | |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | N13 | sing | 1.47Å | 1.47Å | |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | N13 | sing | 1.39Å | 1.40Å | |
| C11 | N12 | doub | 1.33Å | 1.32Å | Aromatic |
| C7 | N12 | sing | 1.32Å | 1.33Å | Aromatic |
| C7 | N6 | sing | 1.39Å | 1.40Å | |
| N13 | C18 | sing | 1.47Å | 1.47Å | |
| N6 | C2 | sing | 1.46Å | 1.48Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| O16 | C17 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| 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 | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| O5 | H24 | sing | 0.97Å | 0.95Å | |
| N6 | H25 | sing | 0.97Å | 1.00Å | |
| C10 | H26 | sing | 1.08Å | 1.08Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| N26 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F37 | C36 | F38 | 109.0° | 109.5° |
| F37 | C36 | F39 | 110.9° | 109.5° |
| F37 | C36 | C35 | 106.8° | 109.4° |
| F38 | C36 | F39 | 108.9° | 109.5° |
| F38 | C36 | C35 | 110.7° | 109.5° |
| F39 | C36 | C35 | 110.5° | 109.4° |
| C36 | C35 | C32 | 112.5° | 109.5° |
| C36 | C35 | H22 | 108.7° | 109.5° |
| C36 | C35 | H23 | 108.7° | 109.4° |
| C35 | C32 | C31 | 107.4° | 111.0° |
| C35 | C32 | C34 | 113.2° | 111.0° |
| C35 | C32 | H19 | 111.2° | 110.9° |
| C32 | C35 | H22 | 108.7° | 109.5° |
| C32 | C35 | H23 | 108.7° | 109.4° |
| C31 | C32 | C34 | 103.1° | 101.6° |
| C32 | C31 | C30 | 102.9° | 103.0° |
| C32 | C31 | H17 | 111.1° | 110.7° |
| C32 | C31 | H18 | 111.1° | 110.9° |
| C31 | C32 | H19 | 110.9° | 111.0° |
| C32 | C34 | N29 | 105.4° | 104.9° |
| C34 | C32 | H19 | 110.8° | 111.0° |
| C32 | C34 | H20 | 110.5° | 110.4° |
| C32 | C34 | H21 | 110.5° | 110.4° |
| C31 | C30 | N29 | 108.9° | 107.3° |
| C31 | C30 | H15 | 109.6° | 109.9° |
| C31 | C30 | H16 | 109.6° | 110.0° |
| C30 | C31 | H17 | 111.1° | 110.7° |
| C30 | C31 | H18 | 111.1° | 110.7° |
| C34 | N29 | C30 | 108.5° | 108.7° |
| C34 | N29 | C27 | 125.5° | 125.7° |
| N29 | C34 | H20 | 110.5° | 110.4° |
| N29 | C34 | H21 | 110.5° | 110.3° |
| C30 | N29 | C27 | 125.9° | 125.6° |
| N29 | C30 | H15 | 109.6° | 109.9° |
| N29 | C30 | H16 | 109.6° | 109.9° |
| N29 | C27 | O28 | 117.2° | 120.0° |
| N29 | C27 | N26 | 121.4° | 120.0° |
| O28 | C27 | N26 | 121.5° | 120.0° |
| C27 | N26 | C21 | 123.8° | 120.0° |
| C27 | N26 | H34 | 118.1° | 120.0° |
| N26 | C21 | C20 | 125.8° | 120.0° |
| N26 | C21 | C22 | 115.0° | 120.0° |
| C21 | N26 | H34 | 118.1° | 120.0° |
| C20 | C21 | C22 | 119.2° | 120.0° |
| C21 | C20 | C19 | 120.1° | 119.8° |
| C21 | C20 | H29 | 119.9° | 120.1° |
| C21 | C22 | C23 | 120.7° | 120.1° |
| C21 | C22 | H30 | 119.6° | 119.9° |
| C20 | C19 | C9 | 118.9° | 120.0° |
| C20 | C19 | C24 | 120.2° | 119.8° |
| C19 | C20 | H29 | 119.9° | 120.1° |
| C22 | C23 | C24 | 120.9° | 120.2° |
| C22 | C23 | H14 | 119.5° | 119.9° |
| C23 | C22 | H30 | 119.6° | 120.0° |
| C9 | C19 | C24 | 120.9° | 120.1° |
| C19 | C9 | C10 | 119.7° | 120.9° |
| C19 | C9 | C8 | 120.5° | 120.8° |
| C19 | C24 | C23 | 118.9° | 120.0° |
| C19 | C24 | C25 | 123.2° | 120.0° |
| C10 | C9 | C8 | 119.8° | 118.3° |
| C9 | C10 | C11 | 119.2° | 119.1° |
| C9 | C10 | H26 | 120.4° | 120.4° |
| C9 | C8 | C7 | 118.1° | 119.1° |
| C9 | C8 | H7 | 121.0° | 120.5° |
| C14 | C15 | O16 | 112.2° | 109.2° |
| C15 | C14 | N13 | 109.5° | 109.3° |
| C14 | C15 | H8 | 108.8° | 109.5° |
| C14 | C15 | H9 | 108.8° | 109.5° |
| C15 | C14 | H27 | 109.5° | 109.5° |
| C15 | C14 | H28 | 109.5° | 109.5° |
| C15 | O16 | C17 | 114.5° | 113.8° |
| O16 | C15 | H8 | 108.8° | 109.6° |
| O16 | C15 | H9 | 108.8° | 109.5° |
| C10 | C11 | N13 | 125.9° | 119.6° |
| C10 | C11 | N12 | 118.4° | 120.8° |
| C11 | C10 | H26 | 120.4° | 120.4° |
| O5 | C4 | C2 | 111.5° | 109.5° |
| O5 | C4 | H5 | 109.0° | 109.4° |
| O5 | C4 | H6 | 109.0° | 109.5° |
| C4 | O5 | H24 | 109.5° | 114.0° |
| C4 | C2 | N6 | 112.7° | 109.5° |
| C4 | C2 | C1 | 112.6° | 109.5° |
| C4 | C2 | H4 | 107.1° | 109.4° |
| C2 | C4 | H5 | 109.0° | 109.5° |
| C2 | C4 | H6 | 109.0° | 109.5° |
| C8 | C7 | N12 | 119.4° | 120.8° |
| C8 | C7 | N6 | 121.4° | 119.6° |
| C7 | C8 | H7 | 121.0° | 120.4° |
| C14 | N13 | C11 | 118.7° | 111.0° |
| C14 | N13 | C18 | 112.3° | 110.7° |
| N13 | C14 | H27 | 109.5° | 109.5° |
| N13 | C14 | H28 | 109.5° | 109.5° |
| C23 | C24 | C25 | 118.0° | 120.0° |
| C24 | C23 | H14 | 119.5° | 119.9° |
| N13 | C11 | N12 | 115.7° | 119.6° |
| C11 | N13 | C18 | 116.9° | 111.1° |
| C11 | N12 | C7 | 125.1° | 121.8° |
| N12 | C7 | N6 | 119.2° | 119.6° |
| C7 | N6 | C2 | 120.6° | 120.0° |
| C7 | N6 | H25 | 106.6° | 120.0° |
| N13 | C18 | C17 | 107.6° | 109.3° |
| N13 | C18 | H12 | 110.0° | 109.5° |
| N13 | C18 | H13 | 109.9° | 109.5° |
| N6 | C2 | C1 | 109.0° | 109.5° |
| N6 | C2 | H4 | 108.0° | 109.5° |
| C2 | N6 | H25 | 106.6° | 120.0° |
| C24 | C25 | H31 | 109.5° | 109.5° |
| C24 | C25 | H32 | 109.5° | 109.5° |
| C24 | C25 | H33 | 109.4° | 109.5° |
| O16 | C17 | C18 | 108.7° | 109.3° |
| O16 | C17 | H10 | 109.7° | 109.5° |
| O16 | C17 | H11 | 109.7° | 109.6° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.4° | 109.4° |
| C2 | C1 | H3 | 109.4° | 109.4° |
| C1 | C2 | H4 | 107.3° | 109.5° |
| C18 | C17 | H10 | 109.7° | 109.5° |
| C18 | C17 | H11 | 109.6° | 109.5° |
| C17 | C18 | H12 | 109.9° | 109.6° |
| C17 | C18 | H13 | 109.9° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.4° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H12 | C18 | H13 | 109.5° | 109.5° |
| H15 | C30 | H16 | 109.5° | 109.9° |
| H17 | C31 | H18 | 109.5° | 110.6° |
| H20 | C34 | H21 | 109.5° | 110.4° |
| H22 | C35 | H23 | 109.5° | 109.5° |
| H27 | C14 | H28 | 109.5° | 109.6° |
| H31 | C25 | H32 | 109.4° | 109.5° |
| H31 | C25 | H33 | 109.5° | 109.5° |
| H32 | C25 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F37 | C36 | F38 | F39 | 121.1° | 120.1° |
| F37 | C36 | F38 | C35 | 117.1° | 120.0° |
| F37 | C36 | F39 | C35 | 118.2° | 119.9° |
| F37 | C36 | C35 | C32 | 170.0° | 180.0° |
| F37 | C36 | C35 | H22 | 49.6° | 60.0° |
| F37 | C36 | C35 | H23 | 69.5° | 60.1° |
| F38 | C36 | F39 | C35 | 121.9° | 120.0° |
| F38 | C36 | C35 | C32 | 71.5° | 60.0° |
| F38 | C36 | C35 | H22 | 168.0° | 180.0° |
| F38 | C36 | C35 | H23 | 49.0° | 60.0° |
| F39 | C36 | C35 | C32 | 49.3° | 60.1° |
| F39 | C36 | C35 | H22 | 71.2° | 60.0° |
| F39 | C36 | C35 | H23 | 169.8° | 180.0° |
| C36 | C35 | C32 | H22 | 120.4° | 120.0° |
| C36 | C35 | C32 | H23 | 120.5° | 119.9° |
| C36 | C35 | C32 | C31 | 171.6° | 175.0° |
| C36 | C35 | C32 | C34 | 75.3° | 72.8° |
| C36 | C35 | C32 | H19 | 50.2° | 51.2° |
| C36 | C35 | H22 | H23 | 118.6° | 120.0° |
| C35 | C32 | C31 | C34 | 119.8° | 118.1° |
| C35 | C32 | C31 | H19 | 121.7° | 123.8° |
| C35 | C32 | C34 | H19 | 125.7° | 123.8° |
| C35 | C32 | C31 | C30 | 150.7° | 153.6° |
| C35 | C32 | C34 | N29 | 148.5° | 155.1° |
| C35 | C32 | C31 | H17 | 31.8° | 88.0° |
| C35 | C32 | C31 | H18 | 90.3° | 35.2° |
| C35 | C32 | C34 | H20 | 92.2° | 86.1° |
| C35 | C32 | C34 | H21 | 29.1° | 36.3° |
| C32 | C35 | H22 | H23 | 118.6° | 120.0° |
| C31 | C32 | C34 | H19 | 118.6° | 118.1° |
| C32 | C31 | C30 | H17 | 119.0° | 118.4° |
| C32 | C31 | C30 | H18 | 118.9° | 118.6° |
| C31 | C32 | C34 | N29 | 32.8° | 37.0° |
| C32 | C31 | C30 | N29 | 19.1° | 22.2° |
| C32 | C31 | C30 | H15 | 139.0° | 141.6° |
| C32 | C31 | C30 | H16 | 100.8° | 97.3° |
| C32 | C31 | H17 | H18 | 123.0° | 123.3° |
| C31 | C32 | C34 | H20 | 152.2° | 155.8° |
| C31 | C32 | C34 | H21 | 86.6° | 81.8° |
| C31 | C32 | C35 | H22 | 67.9° | 55.0° |
| C31 | C32 | C35 | H23 | 51.1° | 65.0° |
| C34 | C32 | C31 | C30 | 31.0° | 35.5° |
| C32 | C34 | N29 | H20 | 119.3° | 118.9° |
| C32 | C34 | N29 | H21 | 119.3° | 118.8° |
| C32 | C34 | N29 | C30 | 21.5° | 24.1° |
| C32 | C34 | N29 | C27 | 155.3° | 155.9° |
| C34 | C32 | C31 | H17 | 88.0° | 153.9° |
| C34 | C32 | C31 | H18 | 149.9° | 83.0° |
| C32 | C34 | H20 | H21 | 121.9° | 122.3° |
| C34 | C32 | C35 | H22 | 45.1° | 167.2° |
| C34 | C32 | C35 | H23 | 164.2° | 47.2° |
| C31 | C30 | N29 | C34 | 1.4° | 1.0° |
| C31 | C30 | N29 | H15 | 119.9° | 119.4° |
| C31 | C30 | N29 | H16 | 119.9° | 119.6° |
| C31 | C30 | N29 | C27 | 175.4° | 179.0° |
| C31 | C30 | H15 | H16 | 120.3° | 121.2° |
| C30 | C31 | H17 | H18 | 123.0° | 123.1° |
| C30 | C31 | C32 | H19 | 87.6° | 82.6° |
| C34 | N29 | C30 | C27 | 176.8° | 180.0° |
| C34 | N29 | C27 | O28 | 2.2° | 0.0° |
| C34 | N29 | C27 | N26 | 178.5° | 180.0° |
| C34 | N29 | C30 | H15 | 118.5° | 118.4° |
| C34 | N29 | C30 | H16 | 121.3° | 120.6° |
| N29 | C34 | C32 | H19 | 85.8° | 81.1° |
| N29 | C34 | H20 | H21 | 121.9° | 122.2° |
| C30 | N29 | C27 | O28 | 178.5° | 180.0° |
| C30 | N29 | C27 | N26 | 2.1° | 0.0° |
| N29 | C30 | H15 | H16 | 120.2° | 121.0° |
| N29 | C30 | C31 | H17 | 99.9° | 140.6° |
| N29 | C30 | C31 | H18 | 138.1° | 96.4° |
| C30 | N29 | C34 | H20 | 140.9° | 143.0° |
| C30 | N29 | C34 | H21 | 97.8° | 94.7° |
| N29 | C27 | O28 | N26 | 179.4° | 180.0° |
| N29 | C27 | N26 | C21 | 177.2° | 175.4° |
| C27 | N29 | C30 | H15 | 64.6° | 61.6° |
| C27 | N29 | C30 | H16 | 55.5° | 59.4° |
| C27 | N29 | C34 | H20 | 36.0° | 37.0° |
| C27 | N29 | C34 | H21 | 85.3° | 85.3° |
| N29 | C27 | N26 | H34 | 2.8° | 4.6° |
| O28 | C27 | N26 | C21 | 3.4° | 4.6° |
| O28 | C27 | N26 | H34 | 176.6° | 175.4° |
| C27 | N26 | C21 | H34 | 180.0° | 180.0° |
| C27 | N26 | C21 | C20 | 50.5° | 35.1° |
| C27 | N26 | C21 | C22 | 127.9° | 144.9° |
| N26 | C21 | C20 | C22 | 178.4° | 180.0° |
| N26 | C21 | C20 | C19 | 178.6° | 180.0° |
| N26 | C21 | C22 | C23 | 179.2° | 179.8° |
| N26 | C21 | C20 | H29 | 1.4° | 0.1° |
| N26 | C21 | C22 | H30 | 0.8° | 0.0° |
| C21 | C20 | C19 | H29 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.6° | 0.2° |
| C21 | C20 | C19 | C9 | 179.6° | 180.0° |
| C21 | C20 | C19 | C24 | 0.1° | 0.3° |
| C20 | C21 | C22 | H30 | 179.3° | 180.0° |
| C20 | C21 | N26 | H34 | 129.4° | 144.9° |
| C22 | C21 | C20 | C19 | 0.3° | 0.0° |
| C21 | C22 | C23 | H30 | 180.0° | 179.7° |
| C21 | C22 | C23 | C24 | 0.6° | 0.3° |
| C21 | C22 | C23 | H14 | 179.4° | 179.7° |
| C22 | C21 | C20 | H29 | 179.7° | 180.0° |
| C22 | C21 | N26 | H34 | 52.2° | 35.1° |
| C20 | C19 | C9 | C24 | 179.5° | 179.7° |
| C20 | C19 | C9 | C10 | 108.1° | 49.7° |
| C20 | C19 | C9 | C8 | 72.5° | 130.3° |
| C20 | C19 | C24 | C23 | 0.2° | 0.3° |
| C20 | C19 | C24 | C25 | 179.8° | 179.7° |
| C22 | C23 | C24 | C19 | 0.1° | 0.0° |
| C22 | C23 | C24 | H14 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 179.9° | 180.0° |
| C19 | C9 | C10 | C8 | 179.4° | 180.0° |
| C19 | C9 | C10 | C11 | 179.5° | 180.0° |
| C19 | C9 | C8 | C7 | 180.0° | 180.0° |
| C9 | C19 | C24 | C23 | 179.7° | 180.0° |
| C9 | C19 | C24 | C25 | 0.3° | 0.0° |
| C19 | C9 | C8 | H7 | 0.0° | 0.0° |
| C19 | C9 | C10 | H26 | 0.5° | 0.1° |
| C9 | C19 | C20 | H29 | 0.4° | 0.1° |
| C24 | C19 | C9 | C10 | 72.4° | 130.0° |
| C24 | C19 | C9 | C8 | 107.0° | 50.0° |
| C19 | C24 | C23 | C25 | 180.0° | 180.0° |
| C19 | C24 | C23 | H14 | 179.9° | 180.0° |
| C24 | C19 | C20 | H29 | 179.9° | 179.8° |
| C19 | C24 | C25 | H31 | 90.0° | 90.0° |
| C19 | C24 | C25 | H32 | 150.0° | 150.0° |
| C19 | C24 | C25 | H33 | 30.0° | 30.0° |
| C9 | C10 | C11 | H26 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.7° | 0.0° |
| C9 | C10 | C11 | N13 | 179.0° | 180.0° |
| C9 | C10 | C11 | N12 | 0.7° | 0.0° |
| C10 | C9 | C8 | H7 | 179.3° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C9 | C8 | C7 | H7 | 180.0° | 180.0° |
| C9 | C8 | C7 | N12 | 0.5° | 0.0° |
| C9 | C8 | C7 | N6 | 178.6° | 179.7° |
| C8 | C9 | C10 | H26 | 179.9° | 180.0° |
| C14 | C15 | O16 | H8 | 120.4° | 120.0° |
| C14 | C15 | O16 | H9 | 120.4° | 119.9° |
| C15 | C14 | N13 | H27 | 120.0° | 119.9° |
| C15 | C14 | N13 | H28 | 120.0° | 119.9° |
| C15 | C14 | N13 | C11 | 163.0° | 177.6° |
| C15 | C14 | N13 | C18 | 55.6° | 58.6° |
| C14 | C15 | O16 | C17 | 52.9° | 58.7° |
| C14 | C15 | H8 | H9 | 118.8° | 120.0° |
| C15 | C14 | H27 | H28 | 120.0° | 120.1° |
| O16 | C15 | C14 | N13 | 49.2° | 56.8° |
| C15 | O16 | C17 | C18 | 58.2° | 58.7° |
| O16 | C15 | H8 | H9 | 118.8° | 120.2° |
| C15 | O16 | C17 | H10 | 178.1° | 61.3° |
| C15 | O16 | C17 | H11 | 61.7° | 178.6° |
| O16 | C15 | C14 | H27 | 169.2° | 63.1° |
| O16 | C15 | C14 | H28 | 70.8° | 176.8° |
| C10 | C11 | N13 | C14 | 6.4° | 56.4° |
| C10 | C11 | N13 | N12 | 178.3° | 180.0° |
| C10 | C11 | N12 | C7 | 1.0° | 0.0° |
| C10 | C11 | N13 | C18 | 133.3° | 180.0° |
| O5 | C4 | C2 | H5 | 120.3° | 120.0° |
| O5 | C4 | C2 | H6 | 120.3° | 120.0° |
| O5 | C4 | C2 | N6 | 122.8° | 65.0° |
| O5 | C4 | C2 | C1 | 113.5° | 55.0° |
| O5 | C4 | C2 | H4 | 4.2° | 175.0° |
| O5 | C4 | H5 | H6 | 119.1° | 120.0° |
| C4 | C2 | N6 | C7 | 69.3° | 155.0° |
| C4 | C2 | N6 | C1 | 125.7° | 120.0° |
| C4 | C2 | N6 | H4 | 118.1° | 120.0° |
| C4 | C2 | C1 | H4 | 117.6° | 120.0° |
| C4 | C2 | C1 | H1 | 180.0° | 180.0° |
| C4 | C2 | C1 | H2 | 60.0° | 60.0° |
| C4 | C2 | C1 | H3 | 60.0° | 60.0° |
| C2 | C4 | H5 | H6 | 119.1° | 120.0° |
| C2 | C4 | O5 | H24 | 180.0° | 180.0° |
| C4 | C2 | N6 | H25 | 52.2° | 25.0° |
| C8 | C7 | N12 | C11 | 0.4° | 0.0° |
| C8 | C7 | N12 | N6 | 179.1° | 179.7° |
| C8 | C7 | N6 | C2 | 168.7° | 0.3° |
| C8 | C7 | N6 | H25 | 69.8° | 179.8° |
| C14 | N13 | C11 | C18 | 139.6° | 123.6° |
| C14 | N13 | C11 | N12 | 171.9° | 123.7° |
| C14 | N13 | C18 | C17 | 61.6° | 58.6° |
| N13 | C14 | C15 | H8 | 169.7° | 176.8° |
| N13 | C14 | C15 | H9 | 71.2° | 63.1° |
| C14 | N13 | C18 | H12 | 178.6° | 178.6° |
| C14 | N13 | C18 | H13 | 58.1° | 61.4° |
| N13 | C14 | H27 | H28 | 120.1° | 120.2° |
| C24 | C23 | C22 | H30 | 179.4° | 180.0° |
| C23 | C24 | C25 | H31 | 90.0° | 90.0° |
| C23 | C24 | C25 | H32 | 30.0° | 30.0° |
| C23 | C24 | C25 | H33 | 150.0° | 150.0° |
| N13 | C11 | N12 | C7 | 179.4° | 180.0° |
| C11 | N13 | C18 | C17 | 156.2° | 177.6° |
| C11 | N13 | C18 | H12 | 36.5° | 57.6° |
| C11 | N13 | C18 | H13 | 84.0° | 62.4° |
| N13 | C11 | C10 | H26 | 1.0° | 0.0° |
| C11 | N13 | C14 | H27 | 43.0° | 62.5° |
| C11 | N13 | C14 | H28 | 77.0° | 57.7° |
| C11 | N12 | C7 | N6 | 179.5° | 179.7° |
| N12 | C11 | N13 | C18 | 48.4° | 0.0° |
| N12 | C11 | C10 | H26 | 179.3° | 179.9° |
| N12 | C7 | N6 | C2 | 12.3° | 180.0° |
| N12 | C7 | C8 | H7 | 179.6° | 180.0° |
| N12 | C7 | N6 | H25 | 109.3° | 0.0° |
| C7 | N6 | C2 | H25 | 121.5° | 179.9° |
| C7 | N6 | C2 | C1 | 164.9° | 85.0° |
| C7 | N6 | C2 | H4 | 48.7° | 35.0° |
| N6 | C7 | C8 | H7 | 1.4° | 0.3° |
| N13 | C18 | C17 | O16 | 60.5° | 56.8° |
| N13 | C18 | C17 | H12 | 119.7° | 120.0° |
| N13 | C18 | C17 | H13 | 119.7° | 119.9° |
| N13 | C18 | C17 | H10 | 179.6° | 63.1° |
| N13 | C18 | C17 | H11 | 59.4° | 176.9° |
| N13 | C18 | H12 | H13 | 120.8° | 120.0° |
| C18 | N13 | C14 | H27 | 175.6° | 61.3° |
| C18 | N13 | C14 | H28 | 64.4° | 178.5° |
| N6 | C2 | C1 | H4 | 116.7° | 120.1° |
| N6 | C2 | C1 | H1 | 54.3° | 60.0° |
| N6 | C2 | C1 | H2 | 174.3° | 180.0° |
| N6 | C2 | C1 | H3 | 65.8° | 60.0° |
| N6 | C2 | C4 | H5 | 116.9° | 175.0° |
| N6 | C2 | C4 | H6 | 2.5° | 55.0° |
| C25 | C24 | C23 | H14 | 0.1° | 0.0° |
| C24 | C25 | H31 | H32 | 120.0° | 120.0° |
| C24 | C25 | H31 | H33 | 120.0° | 120.0° |
| C24 | C25 | H32 | H33 | 120.0° | 120.0° |
| O16 | C17 | C18 | H10 | 119.9° | 119.9° |
| O16 | C17 | C18 | H11 | 119.9° | 120.0° |
| C17 | O16 | C15 | H8 | 173.4° | 178.6° |
| C17 | O16 | C15 | H9 | 67.5° | 61.2° |
| O16 | C17 | H10 | H11 | 120.4° | 120.2° |
| O16 | C17 | C18 | H12 | 179.7° | 176.8° |
| O16 | C17 | C18 | H13 | 59.2° | 63.1° |
| C2 | C1 | H1 | H2 | 120.0° | 119.9° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C4 | H5 | 6.8° | 65.0° |
| C1 | C2 | C4 | H6 | 126.2° | 175.0° |
| C1 | C2 | N6 | H25 | 73.5° | 94.9° |
| C18 | C17 | H10 | H11 | 120.3° | 120.0° |
| C17 | C18 | H12 | H13 | 120.8° | 120.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H1 | C1 | C2 | H4 | 62.4° | 60.0° |
| H2 | C1 | C2 | H4 | 57.6° | 59.9° |
| H3 | C1 | C2 | H4 | 177.5° | 180.0° |
| H4 | C2 | C4 | H5 | 124.5° | 55.0° |
| H4 | C2 | C4 | H6 | 116.1° | 65.0° |
| H4 | C2 | N6 | H25 | 170.3° | 145.0° |
| H5 | C4 | O5 | H24 | 59.7° | 60.0° |
| H6 | C4 | O5 | H24 | 59.7° | 60.0° |
| H8 | C15 | C14 | H27 | 70.3° | 56.9° |
| H8 | C15 | C14 | H28 | 49.6° | 63.2° |
| H9 | C15 | C14 | H27 | 48.8° | 177.0° |
| H9 | C15 | C14 | H28 | 168.8° | 56.8° |
| H10 | C17 | C18 | H12 | 59.8° | 56.9° |
| H10 | C17 | C18 | H13 | 60.7° | 177.0° |
| H11 | C17 | C18 | H12 | 60.4° | 63.2° |
| H11 | C17 | C18 | H13 | 179.1° | 57.0° |
| H14 | C23 | C22 | H30 | 0.6° | 0.0° |
| H15 | C30 | C31 | H17 | 20.1° | 100.0° |
| H15 | C30 | C31 | H18 | 102.0° | 23.0° |
| H16 | C30 | C31 | H17 | 140.2° | 21.1° |
| H16 | C30 | C31 | H18 | 18.1° | 144.1° |
| H17 | C31 | C32 | H19 | 153.5° | 35.8° |
| H18 | C31 | C32 | H19 | 31.4° | 159.0° |
| H19 | C32 | C34 | H20 | 33.5° | 37.8° |
| H19 | C32 | C34 | H21 | 154.8° | 160.1° |
| H19 | C32 | C35 | H22 | 170.6° | 68.9° |
| H19 | C32 | C35 | H23 | 70.3° | 171.1° |
| H31 | C25 | H32 | H33 | 120.0° | 120.0° |
