KGY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | O4 | doub | 1.45Å | 1.45Å | |
| S1 | N11 | sing | 1.71Å | 1.64Å | |
| S1 | C2 | sing | 1.77Å | 1.71Å | |
| S1 | O3 | doub | 1.45Å | 1.43Å | |
| C2 | C5 | sing | 1.37Å | 1.39Å | Aromatic |
| C2 | C6 | doub | 1.33Å | 1.40Å | Aromatic |
| C5 | C8 | sing | 1.47Å | 1.47Å | |
| C5 | N7 | doub | 1.34Å | 1.36Å | Aromatic |
| C6 | O9 | sing | 1.36Å | 1.35Å | Aromatic |
| C6 | C10 | sing | 1.47Å | 1.47Å | |
| N7 | O9 | sing | 1.39Å | 1.31Å | Aromatic |
| C8 | H81 | sing | 1.10Å | 1.10Å | |
| C8 | H82 | sing | 1.10Å | 1.10Å | |
| C8 | H83 | sing | 1.10Å | 1.10Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.11Å | 1.10Å | |
| C10 | H103 | sing | 1.11Å | 1.10Å | |
| N11 | C16 | sing | 1.49Å | 1.47Å | |
| N11 | C12 | sing | 1.49Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C12 | H122 | sing | 1.10Å | 1.10Å | |
| C13 | C14 | sing | 1.54Å | 1.56Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| C14 | C15 | sing | 1.54Å | 1.57Å | |
| C14 | C18 | sing | 1.51Å | 1.52Å | |
| C14 | C17 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H151 | sing | 1.10Å | 1.10Å | |
| C15 | H152 | sing | 1.10Å | 1.10Å | |
| C16 | H161 | sing | 1.10Å | 1.10Å | |
| C16 | H162 | sing | 1.10Å | 1.10Å | |
| C17 | N20 | sing | 1.37Å | 1.35Å | |
| C17 | O19 | doub | 1.23Å | 1.23Å | |
| C18 | S21 | sing | 1.76Å | 1.76Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| N20 | O35 | sing | 1.40Å | 1.37Å | |
| N20 | HN20 | sing | 1.01Å | 1.00Å | |
| S21 | O23 | doub | 1.46Å | 1.44Å | |
| S21 | O22 | doub | 1.46Å | 1.43Å | |
| S21 | C24 | sing | 1.77Å | 1.77Å | |
| C24 | C25 | sing | 1.38Å | 1.43Å | Aromatic |
| C24 | C29 | doub | 1.38Å | 1.43Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.43Å | Aromatic |
| C25 | H25 | sing | 1.09Å | 1.08Å | |
| C26 | C27 | sing | 1.39Å | 1.43Å | Aromatic |
| C26 | H26 | sing | 1.09Å | 1.08Å | |
| C27 | O30 | sing | 1.36Å | 1.41Å | |
| C27 | C28 | doub | 1.39Å | 1.45Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.42Å | Aromatic |
| C28 | H28 | sing | 1.09Å | 1.08Å | |
| C29 | H29 | sing | 1.09Å | 1.08Å | |
| O30 | C31 | sing | 1.43Å | 1.45Å | |
| C31 | C32 | sing | 1.46Å | 1.48Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | trip | 1.20Å | 1.20Å | |
| C33 | C34 | sing | 1.46Å | 1.45Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| O35 | HO35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | S1 | N11 | 108.6° | 108.9° |
| O4 | S1 | C2 | 111.4° | 107.9° |
| O4 | S1 | O3 | 114.8° | 121.1° |
| N11 | S1 | C2 | 103.3° | 100.0° |
| N11 | S1 | O3 | 112.1° | 109.0° |
| S1 | N11 | C16 | 120.7° | 115.2° |
| S1 | N11 | C12 | 121.2° | 115.3° |
| C2 | S1 | O3 | 105.9° | 107.8° |
| S1 | C2 | C5 | 128.7° | 126.2° |
| S1 | C2 | C6 | 124.9° | 125.6° |
| C5 | C2 | C6 | 106.4° | 108.2° |
| C2 | C5 | C8 | 130.0° | 130.3° |
| C2 | C5 | N7 | 106.5° | 110.1° |
| C2 | C6 | O9 | 107.2° | 107.4° |
| C2 | C6 | C10 | 130.4° | 136.3° |
| C8 | C5 | N7 | 123.5° | 119.6° |
| C5 | C8 | H81 | 109.5° | 111.2° |
| C5 | C8 | H82 | 109.5° | 112.2° |
| C5 | C8 | H83 | 109.4° | 112.2° |
| C5 | N7 | O9 | 110.2° | 105.0° |
| O9 | C6 | C10 | 122.4° | 116.3° |
| C6 | O9 | N7 | 109.8° | 109.3° |
| C6 | C10 | H101 | 109.5° | 111.4° |
| C6 | C10 | H102 | 109.5° | 112.4° |
| C6 | C10 | H103 | 109.5° | 112.4° |
| H81 | C8 | H82 | 109.5° | 107.6° |
| H81 | C8 | H83 | 109.5° | 107.4° |
| H82 | C8 | H83 | 109.5° | 105.9° |
| H101 | C10 | H102 | 109.4° | 107.3° |
| H101 | C10 | H103 | 109.4° | 107.3° |
| H102 | C10 | H103 | 109.5° | 105.7° |
| C16 | N11 | C12 | 118.1° | 112.2° |
| N11 | C16 | C15 | 111.6° | 109.6° |
| N11 | C16 | H161 | 108.8° | 109.3° |
| N11 | C16 | H162 | 108.3° | 109.7° |
| N11 | C12 | C13 | 110.7° | 109.7° |
| N11 | C12 | H121 | 109.1° | 109.7° |
| N11 | C12 | H122 | 108.8° | 109.3° |
| C13 | C12 | H121 | 109.1° | 110.9° |
| C13 | C12 | H122 | 108.8° | 109.0° |
| C12 | C13 | C14 | 114.9° | 112.9° |
| C12 | C13 | H131 | 107.7° | 108.5° |
| C12 | C13 | H132 | 106.5° | 108.8° |
| H121 | C12 | H122 | 110.4° | 108.3° |
| C14 | C13 | H131 | 107.7° | 109.4° |
| C14 | C13 | H132 | 106.5° | 110.2° |
| C13 | C14 | C15 | 112.8° | 109.7° |
| C13 | C14 | C18 | 102.5° | 108.5° |
| C13 | C14 | C17 | 107.6° | 111.6° |
| H131 | C13 | H132 | 113.8° | 106.8° |
| C15 | C14 | C18 | 112.9° | 108.5° |
| C15 | C14 | C17 | 112.4° | 111.6° |
| C14 | C15 | C16 | 114.2° | 112.9° |
| C14 | C15 | H151 | 107.9° | 110.2° |
| C14 | C15 | H152 | 106.8° | 109.4° |
| C18 | C14 | C17 | 108.1° | 106.8° |
| C14 | C18 | S21 | 124.5° | 110.8° |
| C14 | C18 | H181 | 104.7° | 109.9° |
| C14 | C18 | H182 | 101.2° | 109.9° |
| C14 | C17 | N20 | 116.3° | 113.1° |
| C14 | C17 | O19 | 119.6° | 121.4° |
| C16 | C15 | H151 | 107.9° | 108.8° |
| C16 | C15 | H152 | 106.8° | 108.5° |
| C15 | C16 | H161 | 108.8° | 108.9° |
| C15 | C16 | H162 | 108.3° | 110.9° |
| H151 | C15 | H152 | 113.3° | 106.8° |
| H161 | C16 | H162 | 111.2° | 108.3° |
| N20 | C17 | O19 | 124.0° | 125.6° |
| C17 | N20 | O35 | 121.0° | 115.8° |
| C17 | N20 | HN20 | 119.5° | 122.1° |
| S21 | C18 | H181 | 104.8° | 108.0° |
| S21 | C18 | H182 | 101.2° | 108.1° |
| C18 | S21 | O23 | 108.4° | 108.2° |
| C18 | S21 | O22 | 103.8° | 109.1° |
| C18 | S21 | C24 | 113.4° | 104.3° |
| H181 | C18 | H182 | 122.2° | 110.1° |
| O35 | N20 | HN20 | 119.5° | 122.1° |
| N20 | O35 | HO35 | 109.5° | 100.4° |
| O23 | S21 | O22 | 115.7° | 119.8° |
| O23 | S21 | C24 | 109.8° | 107.6° |
| O22 | S21 | C24 | 105.7° | 106.7° |
| S21 | C24 | C25 | 119.7° | 119.1° |
| S21 | C24 | C29 | 118.4° | 119.1° |
| C25 | C24 | C29 | 121.9° | 121.7° |
| C24 | C25 | C26 | 119.1° | 119.1° |
| C24 | C25 | H25 | 120.4° | 121.5° |
| C24 | C29 | C28 | 118.9° | 119.1° |
| C24 | C29 | H29 | 120.5° | 121.5° |
| C26 | C25 | H25 | 120.5° | 119.4° |
| C25 | C26 | C27 | 119.7° | 120.0° |
| C25 | C26 | H26 | 120.1° | 119.6° |
| C27 | C26 | H26 | 120.1° | 120.4° |
| C26 | C27 | O30 | 116.2° | 120.0° |
| C26 | C27 | C28 | 120.6° | 120.0° |
| O30 | C27 | C28 | 123.1° | 120.0° |
| C27 | O30 | C31 | 119.0° | 117.1° |
| C27 | C28 | C29 | 119.7° | 120.0° |
| C27 | C28 | H28 | 120.1° | 120.3° |
| C29 | C28 | H28 | 120.2° | 119.7° |
| C28 | C29 | H29 | 120.6° | 119.3° |
| O30 | C31 | C32 | 112.5° | 109.7° |
| O30 | C31 | H311 | 108.5° | 108.5° |
| O30 | C31 | H312 | 107.8° | 108.5° |
| C32 | C31 | H311 | 108.5° | 110.7° |
| C32 | C31 | H312 | 107.8° | 110.7° |
| C31 | C32 | C33 | 177.8° | 179.9° |
| H311 | C31 | H312 | 111.8° | 108.6° |
| C32 | C33 | C34 | 177.5° | 179.9° |
| C33 | C34 | H341 | 109.5° | 110.9° |
| C33 | C34 | H342 | 109.4° | 110.8° |
| C33 | C34 | H343 | 109.4° | 110.8° |
| H341 | C34 | H342 | 109.5° | 108.1° |
| H341 | C34 | H343 | 109.5° | 108.1° |
| H342 | C34 | H343 | 109.5° | 108.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | S1 | N11 | C2 | 118.4° | 113.0° |
| O4 | S1 | N11 | O3 | 127.9° | 134.1° |
| O4 | S1 | C2 | O3 | 125.5° | 132.4° |
| O4 | S1 | C2 | C5 | 2.2° | 53.8° |
| O4 | S1 | C2 | C6 | 177.6° | 126.3° |
| O4 | S1 | N11 | C16 | 51.6° | 53.7° |
| O4 | S1 | N11 | C12 | 127.9° | 173.0° |
| N11 | S1 | C2 | O3 | 118.0° | 113.8° |
| N11 | S1 | C2 | C5 | 118.7° | 60.0° |
| N11 | S1 | C2 | C6 | 61.1° | 120.0° |
| S1 | N11 | C16 | C12 | 179.6° | 134.6° |
| S1 | N11 | C12 | C13 | 124.9° | 165.7° |
| S1 | N11 | C12 | H121 | 4.9° | 72.2° |
| S1 | N11 | C12 | H122 | 115.6° | 46.3° |
| S1 | N11 | C16 | C15 | 125.6° | 165.7° |
| S1 | N11 | C16 | H161 | 5.6° | 46.3° |
| S1 | N11 | C16 | H162 | 115.3° | 72.3° |
| S1 | C2 | C5 | C6 | 179.9° | 179.9° |
| S1 | C2 | C5 | C8 | 0.2° | 0.1° |
| S1 | C2 | C5 | N7 | 179.9° | 180.0° |
| S1 | C2 | C6 | O9 | 179.9° | 180.0° |
| S1 | C2 | C6 | C10 | 0.2° | 0.1° |
| C2 | S1 | N11 | C16 | 66.8° | 166.8° |
| C2 | S1 | N11 | C12 | 113.6° | 60.0° |
| O3 | S1 | C2 | C5 | 123.3° | 173.8° |
| O3 | S1 | C2 | C6 | 56.9° | 6.1° |
| O3 | S1 | N11 | C16 | 179.5° | 80.3° |
| O3 | S1 | N11 | C12 | 0.0° | 52.9° |
| C2 | C5 | C8 | N7 | 179.9° | 179.9° |
| C5 | C2 | C6 | O9 | 0.0° | 0.0° |
| C5 | C2 | C6 | C10 | 179.9° | 180.0° |
| C2 | C5 | N7 | O9 | 0.0° | 0.0° |
| C2 | C5 | C8 | H81 | 118.4° | 95.8° |
| C2 | C5 | C8 | H82 | 1.6° | 24.8° |
| C2 | C5 | C8 | H83 | 121.6° | 143.8° |
| C6 | C2 | C5 | C8 | 179.9° | 180.0° |
| C6 | C2 | C5 | N7 | 0.0° | 0.1° |
| C2 | C6 | O9 | C10 | 179.9° | 180.0° |
| C2 | C6 | O9 | N7 | 0.1° | 0.0° |
| C2 | C6 | C10 | H101 | 62.8° | 79.0° |
| C2 | C6 | C10 | H102 | 57.2° | 41.5° |
| C2 | C6 | C10 | H103 | 177.2° | 160.5° |
| C8 | C5 | N7 | O9 | 179.9° | 180.0° |
| C5 | C8 | H81 | H82 | 120.0° | 123.3° |
| C5 | C8 | H81 | H83 | 120.0° | 123.1° |
| C5 | C8 | H82 | H83 | 120.0° | 122.7° |
| C5 | N7 | O9 | C6 | 0.0° | 0.0° |
| N7 | C5 | C8 | H81 | 61.5° | 84.3° |
| N7 | C5 | C8 | H82 | 178.5° | 155.1° |
| N7 | C5 | C8 | H83 | 58.5° | 36.1° |
| O9 | C6 | C10 | H101 | 117.4° | 100.9° |
| O9 | C6 | C10 | H102 | 122.6° | 138.6° |
| O9 | C6 | C10 | H103 | 2.6° | 19.5° |
| C10 | C6 | O9 | N7 | 179.9° | 180.0° |
| C6 | C10 | H101 | H102 | 120.0° | 123.4° |
| C6 | C10 | H101 | H103 | 120.0° | 123.4° |
| C6 | C10 | H102 | H103 | 120.0° | 122.9° |
| H81 | C8 | H82 | H83 | 120.0° | 114.6° |
| H101 | C10 | H102 | H103 | 120.0° | 114.3° |
| C16 | N11 | C12 | C13 | 54.6° | 59.7° |
| C16 | N11 | C12 | H121 | 174.6° | 62.4° |
| C16 | N11 | C12 | H122 | 64.9° | 179.1° |
| N11 | C16 | C15 | C14 | 45.2° | 55.4° |
| N11 | C16 | C15 | H161 | 120.0° | 119.6° |
| N11 | C16 | C15 | H162 | 119.1° | 121.4° |
| N11 | C16 | C15 | H151 | 165.2° | 178.1° |
| N11 | C16 | C15 | H152 | 72.7° | 66.0° |
| N11 | C16 | H161 | H162 | 119.2° | 119.5° |
| N11 | C12 | C13 | H121 | 120.0° | 121.3° |
| N11 | C12 | C13 | H122 | 119.5° | 119.5° |
| N11 | C12 | H121 | H122 | 119.4° | 119.2° |
| N11 | C12 | C13 | C14 | 47.4° | 55.4° |
| N11 | C12 | C13 | H131 | 167.4° | 66.0° |
| N11 | C12 | C13 | H132 | 70.2° | 178.1° |
| C12 | N11 | C16 | C15 | 54.0° | 59.7° |
| C12 | N11 | C16 | H161 | 174.0° | 179.0° |
| C12 | N11 | C16 | H162 | 65.1° | 62.4° |
| C13 | C12 | H121 | H122 | 119.5° | 119.5° |
| C12 | C13 | C14 | H131 | 120.0° | 121.0° |
| C12 | C13 | C14 | H132 | 117.5° | 121.9° |
| C12 | C13 | H131 | H132 | 117.8° | 117.2° |
| C12 | C13 | C14 | C15 | 42.3° | 51.1° |
| C12 | C13 | C14 | C18 | 164.0° | 169.5° |
| C12 | C13 | C14 | C17 | 82.2° | 73.1° |
| H121 | C12 | C13 | C14 | 167.4° | 65.9° |
| H121 | C12 | C13 | H131 | 72.6° | 172.7° |
| H121 | C12 | C13 | H132 | 49.8° | 56.8° |
| H122 | C12 | C13 | C14 | 72.1° | 175.0° |
| H122 | C12 | C13 | H131 | 47.9° | 53.5° |
| H122 | C12 | C13 | H132 | 170.3° | 62.3° |
| C14 | C13 | H131 | H132 | 117.8° | 119.2° |
| C13 | C14 | C15 | C18 | 115.6° | 118.3° |
| C13 | C14 | C15 | C17 | 121.9° | 124.2° |
| C13 | C14 | C18 | C17 | 113.4° | 120.4° |
| C13 | C14 | C15 | C16 | 41.0° | 51.1° |
| C13 | C14 | C15 | H151 | 161.0° | 173.0° |
| C13 | C14 | C15 | H152 | 76.9° | 69.8° |
| C13 | C14 | C17 | N20 | 134.8° | 0.0° |
| C13 | C14 | C17 | O19 | 45.9° | 179.5° |
| C13 | C14 | C18 | S21 | 171.0° | 59.8° |
| C13 | C14 | C18 | H181 | 69.0° | 59.6° |
| C13 | C14 | C18 | H182 | 58.8° | 179.2° |
| H131 | C13 | C14 | C15 | 162.4° | 69.8° |
| H131 | C13 | C14 | C18 | 76.0° | 48.5° |
| H131 | C13 | C14 | C17 | 37.8° | 165.9° |
| H132 | C13 | C14 | C15 | 75.2° | 173.1° |
| H132 | C13 | C14 | C18 | 46.4° | 68.6° |
| H132 | C13 | C14 | C17 | 160.2° | 48.8° |
| C15 | C14 | C18 | C17 | 125.0° | 120.5° |
| C14 | C15 | C16 | H151 | 120.0° | 122.7° |
| C14 | C15 | C16 | H152 | 117.9° | 121.4° |
| C14 | C15 | H151 | H152 | 118.1° | 118.7° |
| C14 | C15 | C16 | H161 | 165.2° | 175.0° |
| C14 | C15 | C16 | H162 | 73.9° | 66.0° |
| C15 | C14 | C17 | N20 | 10.0° | 123.2° |
| C15 | C14 | C17 | O19 | 170.6° | 57.3° |
| C15 | C14 | C18 | S21 | 49.4° | 178.9° |
| C15 | C14 | C18 | H181 | 169.4° | 59.6° |
| C15 | C14 | C18 | H182 | 62.8° | 61.7° |
| C18 | C14 | C15 | C16 | 156.6° | 169.5° |
| C18 | C14 | C15 | H151 | 83.5° | 68.6° |
| C18 | C14 | C15 | H152 | 38.7° | 48.5° |
| C18 | C14 | C17 | N20 | 115.2° | 118.4° |
| C18 | C14 | C17 | O19 | 64.1° | 61.1° |
| C14 | C18 | S21 | H181 | 120.0° | 120.4° |
| C14 | C18 | S21 | H182 | 112.1° | 120.5° |
| C14 | C18 | H181 | H182 | 113.8° | 121.2° |
| C14 | C18 | S21 | O23 | 30.8° | 65.6° |
| C14 | C18 | S21 | O22 | 154.4° | 66.3° |
| C14 | C18 | S21 | C24 | 91.4° | 180.0° |
| C17 | C14 | C15 | C16 | 80.8° | 73.1° |
| C17 | C14 | C15 | H151 | 39.1° | 48.8° |
| C17 | C14 | C15 | H152 | 161.3° | 165.9° |
| C14 | C17 | N20 | O19 | 179.3° | 179.5° |
| C17 | C14 | C18 | S21 | 75.6° | 60.6° |
| C17 | C14 | C18 | H181 | 44.4° | 180.0° |
| C17 | C14 | C18 | H182 | 172.3° | 58.8° |
| C14 | C17 | N20 | O35 | 179.6° | 179.5° |
| C14 | C17 | N20 | HN20 | 0.4° | 0.5° |
| C16 | C15 | H151 | H152 | 118.0° | 117.0° |
| C15 | C16 | H161 | H162 | 119.1° | 120.7° |
| H151 | C15 | C16 | H161 | 74.8° | 62.3° |
| H151 | C15 | C16 | H162 | 46.1° | 56.7° |
| H152 | C15 | C16 | H161 | 47.3° | 53.6° |
| H152 | C15 | C16 | H162 | 168.2° | 172.6° |
| C17 | N20 | O35 | HN20 | 180.0° | 179.9° |
| C17 | N20 | O35 | HO35 | 149.4° | 143.5° |
| O19 | C17 | N20 | O35 | 0.3° | 0.0° |
| O19 | C17 | N20 | HN20 | 179.7° | 179.9° |
| S21 | C18 | H181 | H182 | 113.8° | 117.8° |
| C18 | S21 | O23 | O22 | 116.1° | 125.8° |
| C18 | S21 | O23 | C24 | 124.3° | 112.2° |
| C18 | S21 | O22 | C24 | 119.6° | 112.1° |
| C18 | S21 | C24 | C25 | 120.3° | 90.0° |
| C18 | S21 | C24 | C29 | 60.2° | 89.9° |
| H181 | C18 | S21 | O23 | 150.9° | 54.8° |
| H181 | C18 | S21 | O22 | 85.6° | 173.3° |
| H181 | C18 | S21 | C24 | 28.7° | 59.6° |
| H182 | C18 | S21 | O23 | 81.3° | 173.9° |
| H182 | C18 | S21 | O22 | 42.3° | 54.2° |
| H182 | C18 | S21 | C24 | 156.5° | 59.5° |
| HN20 | N20 | O35 | HO35 | 30.6° | 36.4° |
| O23 | S21 | O22 | C24 | 121.8° | 122.4° |
| O23 | S21 | C24 | C25 | 1.1° | 24.8° |
| O23 | S21 | C24 | C29 | 178.4° | 155.3° |
| O22 | S21 | C24 | C25 | 126.6° | 154.6° |
| O22 | S21 | C24 | C29 | 52.9° | 25.5° |
| S21 | C24 | C25 | C29 | 179.5° | 179.9° |
| S21 | C24 | C25 | C26 | 178.7° | 179.9° |
| S21 | C24 | C25 | H25 | 1.3° | 0.1° |
| S21 | C24 | C29 | C28 | 178.7° | 179.9° |
| S21 | C24 | C29 | H29 | 1.3° | 0.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.5° | 0.0° |
| C24 | C25 | C26 | H26 | 179.5° | 180.0° |
| C25 | C24 | C29 | C28 | 0.8° | 0.0° |
| C25 | C24 | C29 | H29 | 179.2° | 179.9° |
| C29 | C24 | C25 | C26 | 0.8° | 0.0° |
| C29 | C24 | C25 | H25 | 179.2° | 179.9° |
| C24 | C29 | C28 | C27 | 0.4° | 0.0° |
| C24 | C29 | C28 | H29 | 180.0° | 179.9° |
| C24 | C29 | C28 | H28 | 179.6° | 180.0° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | O30 | 179.6° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| H25 | C25 | C26 | C27 | 179.5° | 180.0° |
| H25 | C25 | C26 | H26 | 0.5° | 0.0° |
| C26 | C27 | O30 | C28 | 179.5° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C26 | C27 | C28 | H28 | 179.9° | 180.0° |
| C26 | C27 | O30 | C31 | 140.9° | 30.0° |
| H26 | C26 | C27 | O30 | 0.4° | 0.0° |
| H26 | C26 | C27 | C28 | 179.9° | 180.0° |
| O30 | C27 | C28 | C29 | 179.6° | 180.0° |
| O30 | C27 | C28 | H28 | 0.4° | 0.0° |
| C27 | O30 | C31 | C32 | 71.5° | 151.1° |
| C27 | O30 | C31 | H311 | 168.5° | 30.0° |
| C27 | O30 | C31 | H312 | 47.2° | 87.9° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | H29 | 179.6° | 179.9° |
| C28 | C27 | O30 | C31 | 38.6° | 150.0° |
| H28 | C28 | C29 | H29 | 0.4° | 0.1° |
| O30 | C31 | C32 | H311 | 120.0° | 119.7° |
| O30 | C31 | C32 | H312 | 118.7° | 119.7° |
| O30 | C31 | H311 | H312 | 118.8° | 117.7° |
| O30 | C31 | C32 | C33 | 104.6° | 149.8° |
| C32 | C31 | H311 | H312 | 118.7° | 121.8° |
| C31 | C32 | C33 | C34 | 157.9° | 100.1° |
| H311 | C31 | C32 | C33 | 135.4° | 30.1° |
| H312 | C31 | C32 | C33 | 14.1° | 90.5° |
| C32 | C33 | C34 | H341 | 134.5° | 58.5° |
| C32 | C33 | C34 | H342 | 14.5° | 178.6° |
| C32 | C33 | C34 | H343 | 105.5° | 61.5° |
| C33 | C34 | H341 | H342 | 120.0° | 121.6° |
| C33 | C34 | H341 | H343 | 120.0° | 121.7° |
| C33 | C34 | H342 | H343 | 120.0° | 121.6° |
| H341 | C34 | H342 | H343 | 120.1° | 116.7° |
