K4J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.45Å | |
| N2 | C3 | sing | 1.35Å | 1.33Å | |
| O4 | C3 | doub | 1.22Å | 1.22Å | |
| C3 | C5 | sing | 1.47Å | 1.48Å | |
| O22 | B21 | sing | 1.42Å | 1.54Å | |
| O23 | B21 | sing | 1.42Å | 1.54Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C32 | C30 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| B21 | C20 | sing | 1.57Å | 1.50Å | |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C29 | sing | 1.48Å | 1.47Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.49Å | Aromatic |
| F25 | C24 | sing | 1.35Å | 1.35Å | |
| C28 | C29 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| F37 | C36 | sing | 1.35Å | 1.34Å | |
| C29 | C8 | sing | 1.40Å | 1.37Å | Aromatic |
| C36 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C6 | sing | 1.48Å | 1.47Å | |
| C33 | C39 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | C27 | sing | 1.51Å | 1.48Å | |
| C6 | O7 | sing | 1.34Å | 1.37Å | Aromatic |
| C24 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | O7 | sing | 1.35Å | 1.32Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N11 | sing | 1.40Å | 1.39Å | |
| C18 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C12 | sing | 1.51Å | 1.45Å | |
| N11 | C12 | sing | 1.47Å | 1.44Å | |
| N11 | C15 | sing | 1.34Å | 1.32Å | |
| C12 | C13 | sing | 1.54Å | 1.53Å | |
| O16 | C15 | doub | 1.22Å | 1.22Å | |
| C15 | O14 | sing | 1.34Å | 1.43Å | |
| C13 | O14 | sing | 1.46Å | 1.42Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.08Å | 1.08Å | |
| O22 | H5 | sing | 0.97Å | 0.95Å | |
| O23 | H6 | sing | 0.97Å | 0.95Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C30 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C34 | H13 | sing | 1.08Å | 1.08Å | |
| C35 | H14 | sing | 1.08Å | 1.08Å | |
| C38 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.08Å | 1.08Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C39 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N2 | C3 | 120.9° | 120.0° |
| C1 | N2 | H19 | 119.6° | 120.0° |
| N2 | C1 | H20 | 109.5° | 109.4° |
| N2 | C1 | H21 | 109.5° | 109.4° |
| N2 | C1 | H22 | 109.5° | 109.4° |
| N2 | C3 | O4 | 122.5° | 120.0° |
| N2 | C3 | C5 | 121.5° | 120.0° |
| C3 | N2 | H19 | 119.6° | 120.1° |
| O4 | C3 | C5 | 116.0° | 120.0° |
| C3 | C5 | C29 | 120.2° | 127.2° |
| C3 | C5 | C6 | 131.5° | 127.3° |
| O22 | B21 | O23 | 119.2° | 120.0° |
| O22 | B21 | C20 | 119.4° | 120.0° |
| B21 | O22 | H5 | 109.5° | 114.0° |
| O23 | B21 | C20 | 118.5° | 120.0° |
| B21 | O23 | H6 | 109.5° | 114.0° |
| C31 | C32 | C30 | 60.1° | 60.0° |
| C32 | C31 | C30 | 60.0° | 60.0° |
| C32 | C31 | H9 | 120.0° | 117.5° |
| C32 | C31 | H10 | 120.0° | 117.5° |
| C31 | C32 | H11 | 120.0° | 117.5° |
| C31 | C32 | H12 | 120.0° | 117.5° |
| C32 | C30 | C31 | 59.9° | 60.1° |
| C32 | C30 | C27 | 113.8° | 117.5° |
| C32 | C30 | H8 | 117.1° | 117.5° |
| C30 | C32 | H11 | 120.0° | 117.5° |
| C30 | C32 | H12 | 120.0° | 117.5° |
| C31 | C30 | C27 | 117.9° | 117.5° |
| C31 | C30 | H8 | 117.0° | 117.5° |
| C30 | C31 | H9 | 120.0° | 117.5° |
| C30 | C31 | H10 | 120.0° | 117.6° |
| B21 | C20 | C24 | 119.9° | 120.1° |
| B21 | C20 | C19 | 120.3° | 120.2° |
| C34 | C35 | C36 | 119.8° | 120.1° |
| C35 | C34 | C33 | 119.5° | 119.9° |
| C35 | C34 | H13 | 120.2° | 120.0° |
| C34 | C35 | H14 | 120.1° | 120.0° |
| C35 | C36 | F37 | 119.3° | 119.8° |
| C35 | C36 | C38 | 120.5° | 120.3° |
| C36 | C35 | H14 | 120.1° | 120.0° |
| C34 | C33 | C6 | 119.2° | 120.2° |
| C34 | C33 | C39 | 120.9° | 119.7° |
| C33 | C34 | H13 | 120.2° | 120.1° |
| C29 | C5 | C6 | 108.4° | 105.5° |
| C5 | C29 | C28 | 135.4° | 134.0° |
| C5 | C29 | C8 | 101.8° | 105.6° |
| C5 | C6 | C33 | 131.1° | 125.3° |
| C5 | C6 | O7 | 103.4° | 109.3° |
| F25 | C24 | C20 | 120.3° | 120.1° |
| F25 | C24 | C26 | 119.9° | 120.1° |
| C29 | C28 | C27 | 117.9° | 119.7° |
| C28 | C29 | C8 | 122.8° | 120.4° |
| C29 | C28 | H18 | 121.1° | 120.1° |
| C28 | C27 | C30 | 119.9° | 119.9° |
| C28 | C27 | C10 | 119.3° | 120.2° |
| C27 | C28 | H18 | 121.0° | 120.2° |
| F37 | C36 | C38 | 120.2° | 119.9° |
| C29 | C8 | O7 | 115.0° | 108.1° |
| C29 | C8 | C9 | 119.9° | 119.2° |
| C36 | C38 | C39 | 119.8° | 120.2° |
| C36 | C38 | H15 | 120.1° | 119.9° |
| C6 | C33 | C39 | 119.7° | 120.1° |
| C33 | C6 | O7 | 125.4° | 125.3° |
| C33 | C39 | C38 | 119.4° | 119.8° |
| C33 | C39 | H23 | 120.3° | 120.1° |
| C24 | C20 | C19 | 119.8° | 119.7° |
| C20 | C24 | C26 | 119.8° | 119.8° |
| C20 | C19 | C18 | 120.4° | 119.9° |
| C20 | C19 | H4 | 119.8° | 120.0° |
| C30 | C27 | C10 | 120.8° | 119.9° |
| C27 | C30 | H8 | 118.0° | 115.6° |
| C6 | O7 | C8 | 111.5° | 111.4° |
| C24 | C26 | C17 | 119.6° | 120.1° |
| C24 | C26 | H7 | 120.2° | 119.9° |
| C27 | C10 | C9 | 121.5° | 120.5° |
| C27 | C10 | N11 | 123.5° | 119.8° |
| C39 | C38 | H15 | 120.1° | 119.9° |
| C38 | C39 | H23 | 120.3° | 120.1° |
| C19 | C18 | C17 | 118.9° | 120.2° |
| C18 | C19 | H4 | 119.8° | 120.0° |
| C19 | C18 | H16 | 120.6° | 119.9° |
| O7 | C8 | C9 | 125.1° | 132.7° |
| C8 | C9 | C10 | 118.5° | 120.0° |
| C8 | C9 | H17 | 120.7° | 120.0° |
| C26 | C17 | C18 | 121.5° | 120.3° |
| C26 | C17 | C12 | 119.5° | 119.9° |
| C17 | C26 | H7 | 120.2° | 120.0° |
| C9 | C10 | N11 | 114.9° | 119.8° |
| C10 | C9 | H17 | 120.7° | 120.0° |
| C10 | N11 | C12 | 127.7° | 125.6° |
| C10 | N11 | C15 | 118.9° | 125.5° |
| C18 | C17 | C12 | 119.1° | 119.8° |
| C17 | C18 | H16 | 120.5° | 119.9° |
| C17 | C12 | N11 | 109.1° | 110.6° |
| C17 | C12 | C13 | 111.1° | 110.6° |
| C17 | C12 | H1 | 111.8° | 110.6° |
| C12 | N11 | C15 | 113.3° | 108.9° |
| N11 | C12 | C13 | 101.6° | 103.8° |
| N11 | C12 | H1 | 112.0° | 110.5° |
| N11 | C15 | O16 | 128.0° | 123.1° |
| N11 | C15 | O14 | 108.8° | 113.8° |
| C12 | C13 | O14 | 106.5° | 104.0° |
| C13 | C12 | H1 | 110.7° | 110.6° |
| C12 | C13 | H2 | 110.2° | 110.5° |
| C12 | C13 | H3 | 110.2° | 110.5° |
| O16 | C15 | O14 | 123.1° | 123.1° |
| C15 | O14 | C13 | 107.2° | 109.5° |
| O14 | C13 | H2 | 110.2° | 110.5° |
| O14 | C13 | H3 | 110.2° | 110.5° |
| H2 | C13 | H3 | 109.5° | 110.6° |
| H9 | C31 | H10 | 109.5° | 115.6° |
| H11 | C32 | H12 | 109.4° | 115.6° |
| H20 | C1 | H21 | 109.4° | 109.5° |
| H20 | C1 | H22 | 109.5° | 109.5° |
| H21 | C1 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N2 | C3 | H19 | 180.0° | 180.0° |
| C1 | N2 | C3 | O4 | 0.5° | 0.3° |
| C1 | N2 | C3 | C5 | 179.1° | 180.0° |
| N2 | C1 | H20 | H21 | 120.0° | 119.9° |
| N2 | C1 | H20 | H22 | 120.0° | 119.9° |
| N2 | C1 | H21 | H22 | 120.0° | 120.0° |
| N2 | C3 | O4 | C5 | 178.7° | 179.7° |
| N2 | C3 | C5 | C29 | 117.8° | 90.0° |
| N2 | C3 | C5 | C6 | 64.1° | 90.3° |
| C3 | N2 | C1 | H20 | 180.0° | 60.0° |
| C3 | N2 | C1 | H21 | 60.0° | 180.0° |
| C3 | N2 | C1 | H22 | 60.0° | 60.0° |
| O4 | C3 | C5 | C29 | 63.5° | 89.7° |
| O4 | C3 | C5 | C6 | 114.6° | 90.0° |
| O4 | C3 | N2 | H19 | 179.5° | 179.7° |
| C3 | C5 | C29 | C6 | 178.5° | 179.7° |
| C3 | C5 | C29 | C28 | 2.1° | 0.0° |
| C3 | C5 | C29 | C8 | 178.5° | 180.0° |
| C3 | C5 | C6 | C33 | 1.7° | 0.0° |
| C3 | C5 | C6 | O7 | 177.8° | 179.9° |
| C5 | C3 | N2 | H19 | 0.9° | 0.0° |
| O22 | B21 | O23 | C20 | 160.4° | 180.0° |
| O22 | B21 | C20 | C24 | 2.9° | 174.5° |
| O22 | B21 | C20 | C19 | 177.3° | 5.2° |
| O22 | B21 | O23 | H6 | 180.0° | 0.0° |
| O23 | B21 | C20 | C24 | 157.5° | 5.4° |
| O23 | B21 | C20 | C19 | 22.3° | 174.9° |
| O23 | B21 | O22 | H5 | 180.0° | 175.4° |
| C31 | C32 | C30 | H11 | 109.5° | 107.5° |
| C31 | C32 | C30 | H12 | 109.5° | 107.5° |
| C32 | C31 | C30 | H9 | 109.5° | 107.4° |
| C32 | C31 | C30 | H10 | 109.4° | 107.5° |
| C31 | C32 | C30 | C27 | 109.6° | 107.5° |
| C31 | C32 | C30 | H8 | 107.1° | 107.5° |
| C32 | C31 | H9 | H10 | 144.7° | 145.6° |
| C31 | C32 | H11 | H12 | 144.6° | 145.7° |
| C32 | C30 | C27 | C28 | 48.1° | 13.2° |
| C32 | C30 | C27 | H8 | 143.0° | 145.7° |
| C32 | C30 | C27 | C10 | 130.2° | 166.8° |
| C30 | C32 | H11 | H12 | 144.7° | 145.7° |
| C31 | C30 | C27 | C28 | 19.1° | 55.5° |
| C31 | C30 | C27 | H8 | 149.8° | 145.6° |
| C31 | C30 | C27 | C10 | 162.6° | 124.5° |
| C30 | C31 | H9 | H10 | 144.8° | 145.8° |
| B21 | C20 | C24 | F25 | 0.5° | 0.0° |
| B21 | C20 | C24 | C19 | 179.8° | 179.7° |
| B21 | C20 | C24 | C26 | 180.0° | 180.0° |
| B21 | C20 | C19 | C18 | 180.0° | 179.9° |
| B21 | C20 | C19 | H4 | 0.0° | 0.0° |
| C20 | B21 | O22 | H5 | 19.8° | 4.6° |
| C20 | B21 | O23 | H6 | 19.6° | 180.0° |
| C34 | C35 | C36 | H14 | 180.0° | 180.0° |
| C35 | C34 | C33 | H13 | 180.0° | 180.0° |
| C34 | C35 | C36 | F37 | 180.0° | 180.0° |
| C34 | C35 | C36 | C38 | 0.1° | 0.0° |
| C35 | C34 | C33 | C6 | 177.6° | 179.9° |
| C35 | C34 | C33 | C39 | 3.1° | 0.3° |
| C36 | C35 | C34 | C33 | 1.5° | 0.0° |
| C35 | C36 | F37 | C38 | 179.9° | 180.0° |
| C35 | C36 | C38 | C39 | 0.1° | 0.3° |
| C36 | C35 | C34 | H13 | 178.5° | 180.0° |
| C35 | C36 | C38 | H15 | 180.0° | 180.0° |
| C34 | C33 | C6 | C5 | 24.6° | 0.2° |
| C34 | C33 | C6 | C39 | 174.6° | 179.8° |
| C34 | C33 | C6 | O7 | 150.8° | 179.7° |
| C34 | C33 | C39 | C38 | 3.1° | 0.5° |
| C33 | C34 | C35 | H14 | 178.5° | 180.0° |
| C34 | C33 | C39 | H23 | 177.0° | 179.7° |
| C5 | C29 | C28 | C8 | 179.3° | 180.0° |
| C5 | C29 | C28 | C27 | 179.8° | 180.0° |
| C29 | C5 | C6 | C33 | 176.6° | 179.7° |
| C29 | C5 | C6 | O7 | 0.5° | 0.2° |
| C5 | C29 | C8 | O7 | 0.5° | 0.2° |
| C5 | C29 | C8 | C9 | 179.8° | 180.0° |
| C5 | C29 | C28 | H18 | 0.2° | 0.0° |
| C6 | C5 | C29 | C28 | 179.4° | 179.7° |
| C6 | C5 | C29 | C8 | 0.0° | 0.2° |
| C5 | C6 | C33 | O7 | 175.4° | 179.9° |
| C5 | C6 | C33 | C39 | 160.8° | 180.0° |
| C5 | C6 | O7 | C8 | 0.8° | 0.1° |
| F25 | C24 | C20 | C26 | 179.5° | 180.0° |
| F25 | C24 | C20 | C19 | 179.7° | 179.7° |
| F25 | C24 | C26 | C17 | 179.6° | 180.0° |
| F25 | C24 | C26 | H7 | 0.5° | 0.1° |
| C29 | C28 | C27 | H18 | 180.0° | 180.0° |
| C29 | C28 | C27 | C30 | 180.0° | 180.0° |
| C29 | C28 | C27 | C10 | 1.6° | 0.0° |
| C28 | C29 | C8 | O7 | 180.0° | 179.8° |
| C28 | C29 | C8 | C9 | 0.3° | 0.0° |
| C27 | C28 | C29 | C8 | 0.5° | 0.0° |
| C28 | C27 | C30 | C10 | 178.4° | 180.0° |
| C28 | C27 | C10 | C9 | 2.5° | 0.0° |
| C28 | C27 | C10 | N11 | 177.7° | 180.0° |
| C28 | C27 | C30 | H8 | 168.9° | 158.9° |
| F37 | C36 | C38 | C39 | 180.0° | 179.7° |
| F37 | C36 | C35 | H14 | 0.0° | 0.0° |
| F37 | C36 | C38 | H15 | 0.1° | 0.0° |
| C29 | C8 | O7 | C6 | 0.9° | 0.1° |
| C29 | C8 | O7 | C9 | 179.7° | 179.7° |
| C29 | C8 | C9 | C10 | 1.1° | 0.0° |
| C29 | C8 | C9 | H17 | 178.8° | 180.0° |
| C8 | C29 | C28 | H18 | 179.5° | 180.0° |
| C36 | C38 | C39 | C33 | 1.5° | 0.6° |
| C36 | C38 | C39 | H15 | 180.0° | 179.7° |
| C38 | C36 | C35 | H14 | 179.9° | 180.0° |
| C36 | C38 | C39 | H23 | 178.5° | 179.6° |
| C6 | C33 | C39 | C38 | 177.6° | 179.7° |
| C33 | C6 | O7 | C8 | 177.2° | 179.8° |
| C6 | C33 | C34 | H13 | 2.4° | 0.0° |
| C6 | C33 | C39 | H23 | 2.4° | 0.1° |
| C39 | C33 | C6 | O7 | 23.8° | 0.1° |
| C33 | C39 | C38 | H23 | 180.0° | 179.8° |
| C39 | C33 | C34 | H13 | 176.9° | 179.8° |
| C33 | C39 | C38 | H15 | 178.5° | 179.8° |
| C24 | C20 | C19 | C18 | 0.2° | 0.3° |
| C20 | C24 | C26 | C17 | 0.0° | 0.0° |
| C24 | C20 | C19 | H4 | 179.8° | 179.8° |
| C20 | C24 | C26 | H7 | 180.0° | 180.0° |
| C19 | C20 | C24 | C26 | 0.2° | 0.3° |
| C20 | C19 | C18 | H4 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.0° | 0.1° |
| C20 | C19 | C18 | H16 | 180.0° | 179.9° |
| C30 | C27 | C10 | C9 | 179.1° | 180.0° |
| C30 | C27 | C10 | N11 | 4.0° | 0.0° |
| C27 | C30 | C31 | H9 | 147.8° | 0.1° |
| C27 | C30 | C31 | H10 | 6.7° | 145.0° |
| C27 | C30 | C32 | H11 | 0.1° | 145.0° |
| C27 | C30 | C32 | H12 | 140.9° | 0.0° |
| C30 | C27 | C28 | H18 | 0.0° | 0.0° |
| C6 | O7 | C8 | C9 | 179.4° | 179.8° |
| C24 | C26 | C17 | H7 | 180.0° | 179.9° |
| C24 | C26 | C17 | C18 | 0.1° | 0.2° |
| C24 | C26 | C17 | C12 | 179.6° | 180.0° |
| C27 | C10 | C9 | C8 | 2.3° | 0.0° |
| C27 | C10 | C9 | N11 | 175.5° | 180.0° |
| C27 | C10 | N11 | C12 | 100.2° | 84.2° |
| C27 | C10 | N11 | C15 | 84.3° | 96.1° |
| C10 | C27 | C30 | H8 | 12.7° | 21.1° |
| C27 | C10 | C9 | H17 | 177.7° | 180.0° |
| C10 | C27 | C28 | H18 | 178.4° | 180.0° |
| C19 | C18 | C17 | C26 | 0.1° | 0.2° |
| C19 | C18 | C17 | H16 | 180.0° | 179.9° |
| C19 | C18 | C17 | C12 | 179.5° | 180.0° |
| O7 | C8 | C9 | C10 | 179.1° | 179.7° |
| O7 | C8 | C9 | H17 | 0.9° | 0.2° |
| C8 | C9 | C10 | H17 | 180.0° | 180.0° |
| C8 | C9 | C10 | N11 | 177.8° | 180.0° |
| C26 | C17 | C18 | C12 | 179.5° | 179.8° |
| C26 | C17 | C12 | N11 | 108.6° | 133.6° |
| C26 | C17 | C12 | C13 | 140.1° | 112.0° |
| C26 | C17 | C12 | H1 | 15.9° | 10.8° |
| C26 | C17 | C18 | H16 | 179.9° | 179.7° |
| C9 | C10 | N11 | C12 | 84.4° | 95.8° |
| C9 | C10 | N11 | C15 | 91.1° | 83.9° |
| C10 | N11 | C12 | C17 | 69.9° | 61.1° |
| C10 | N11 | C12 | C15 | 175.7° | 179.7° |
| C10 | N11 | C12 | C13 | 172.6° | 179.7° |
| C10 | N11 | C15 | O16 | 16.9° | 0.3° |
| C10 | N11 | C15 | O14 | 164.0° | 179.7° |
| C10 | N11 | C12 | H1 | 54.5° | 61.7° |
| N11 | C10 | C9 | H17 | 2.2° | 0.0° |
| C18 | C17 | C12 | N11 | 70.8° | 46.2° |
| C18 | C17 | C12 | C13 | 40.4° | 68.3° |
| C18 | C17 | C12 | H1 | 164.7° | 168.9° |
| C17 | C18 | C19 | H4 | 180.0° | 180.0° |
| C18 | C17 | C26 | H7 | 179.9° | 179.7° |
| C17 | C12 | N11 | C13 | 117.5° | 118.6° |
| C17 | C12 | N11 | H1 | 124.4° | 122.8° |
| C17 | C12 | N11 | C15 | 114.3° | 118.6° |
| C17 | C12 | C13 | H1 | 124.9° | 122.8° |
| C17 | C12 | C13 | O14 | 123.0° | 118.6° |
| C17 | C12 | C13 | H2 | 117.4° | 122.8° |
| C17 | C12 | C13 | H3 | 3.5° | 0.0° |
| C12 | C17 | C26 | H7 | 0.4° | 0.1° |
| C12 | C17 | C18 | H16 | 0.4° | 0.1° |
| N11 | C12 | C13 | H1 | 119.1° | 118.6° |
| C12 | N11 | C15 | O16 | 166.9° | 180.0° |
| C12 | N11 | C15 | O14 | 12.2° | 0.0° |
| N11 | C12 | C13 | O14 | 7.1° | 0.0° |
| N11 | C12 | C13 | H2 | 126.6° | 118.6° |
| N11 | C12 | C13 | H3 | 112.5° | 118.6° |
| C15 | N11 | C12 | C13 | 3.1° | 0.0° |
| N11 | C15 | O16 | O14 | 179.0° | 180.0° |
| N11 | C15 | O14 | C13 | 16.5° | 0.0° |
| C15 | N11 | C12 | H1 | 121.3° | 118.6° |
| C12 | C13 | O14 | C15 | 14.1° | 0.0° |
| C12 | C13 | O14 | H2 | 119.5° | 118.6° |
| C12 | C13 | O14 | H3 | 119.5° | 118.6° |
| C12 | C13 | H2 | H3 | 121.4° | 122.7° |
| O16 | C15 | O14 | C13 | 162.7° | 180.0° |
| C15 | O14 | C13 | H2 | 133.6° | 118.6° |
| C15 | O14 | C13 | H3 | 105.5° | 118.6° |
| O14 | C13 | C12 | H1 | 112.1° | 118.6° |
| O14 | C13 | H2 | H3 | 121.3° | 122.7° |
| H1 | C12 | C13 | H2 | 7.5° | 0.0° |
| H1 | C12 | C13 | H3 | 128.4° | 122.8° |
| H4 | C19 | C18 | H16 | 0.0° | 0.2° |
| H8 | C30 | C31 | H9 | 2.3° | 145.1° |
| H8 | C30 | C31 | H10 | 143.4° | 0.0° |
| H8 | C30 | C32 | H11 | 143.4° | 0.0° |
| H8 | C30 | C32 | H12 | 2.5° | 145.0° |
| H9 | C31 | C32 | H11 | 141.0° | 145.0° |
| H9 | C31 | C32 | H12 | 0.0° | 0.0° |
| H10 | C31 | C32 | H11 | 0.1° | 0.1° |
| H10 | C31 | C32 | H12 | 141.0° | 145.0° |
| H13 | C34 | C35 | H14 | 1.5° | 0.1° |
| H15 | C38 | C39 | H23 | 1.5° | 0.0° |
| H19 | N2 | C1 | H20 | 0.0° | 120.0° |
| H19 | N2 | C1 | H21 | 120.0° | 0.0° |
| H19 | N2 | C1 | H22 | 120.0° | 120.0° |
| H20 | C1 | H21 | H22 | 120.0° | 120.1° |
