YEJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C19 | doub | 1.22Å | 1.23Å | |
| C19 | C1 | sing | 1.41Å | 1.45Å | |
| C19 | N3 | sing | 1.35Å | 1.35Å | |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C1 | C2 | doub | 1.36Å | 1.35Å | |
| N3 | C18 | sing | 1.38Å | 1.38Å | |
| C18 | C3 | doub | 1.41Å | 1.40Å | Aromatic |
| C18 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.46Å | 1.44Å | |
| C3 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | N | doub | 1.32Å | 1.35Å | Aromatic |
| C6 | N1 | sing | 1.39Å | 1.34Å | |
| N | C5 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.37Å | 1.38Å | Aromatic |
| N1 | C7 | sing | 1.46Å | 1.45Å | |
| C7 | C11 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C11 | O | sing | 1.43Å | 1.43Å | |
| C10 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| O | C12 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C13 | C17 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.52Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | S | sing | 1.82Å | 1.76Å | |
| S | O1 | doub | 1.42Å | 1.44Å | |
| S | O2 | doub | 1.42Å | 1.44Å | |
| S | C15 | sing | 1.82Å | 1.76Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| N2 | HA | sing | 1.01Å | 1.00Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C19 | C1 | 125.1° | 119.2° |
| O3 | C19 | N3 | 120.9° | 119.1° |
| C1 | C19 | N3 | 114.0° | 121.7° |
| C19 | C1 | C | 119.0° | 119.9° |
| C19 | C1 | C2 | 124.0° | 120.2° |
| C19 | N3 | C18 | 126.6° | 120.8° |
| C19 | N3 | H3 | 116.7° | 119.6° |
| C | C1 | C2 | 117.0° | 120.0° |
| C1 | C | HC1 | 109.5° | 109.5° |
| C1 | C | HC2 | 109.5° | 109.5° |
| C1 | C | HC3 | 109.5° | 109.5° |
| C1 | C2 | C3 | 118.3° | 118.4° |
| C1 | C2 | H2 | 120.9° | 120.8° |
| N3 | C18 | C3 | 117.6° | 119.7° |
| N3 | C18 | C6 | 119.5° | 121.8° |
| C18 | N3 | H3 | 116.7° | 119.6° |
| C3 | C18 | C6 | 122.9° | 118.5° |
| C18 | C3 | C2 | 119.6° | 119.2° |
| C18 | C3 | C4 | 116.6° | 118.7° |
| C18 | C6 | N | 118.0° | 120.0° |
| C18 | C6 | N1 | 124.4° | 120.0° |
| C2 | C3 | C4 | 123.8° | 122.1° |
| C3 | C2 | H2 | 120.9° | 120.8° |
| C3 | C4 | C5 | 118.2° | 118.7° |
| C3 | C4 | H4 | 120.9° | 120.6° |
| N | C6 | N1 | 117.6° | 120.0° |
| C6 | N | C5 | 119.8° | 122.5° |
| C6 | N1 | C7 | 127.2° | 120.0° |
| C6 | N1 | H1 | 104.9° | 120.0° |
| N | C5 | C4 | 124.5° | 121.6° |
| N | C5 | H5 | 117.8° | 119.3° |
| C5 | C4 | H4 | 120.9° | 120.7° |
| C4 | C5 | H5 | 117.8° | 119.2° |
| N1 | C7 | C11 | 105.0° | 109.5° |
| N1 | C7 | C8 | 111.4° | 109.5° |
| C7 | N1 | H1 | 104.9° | 120.0° |
| N1 | C7 | H7 | 110.8° | 109.5° |
| C11 | C7 | C8 | 110.0° | 109.2° |
| C7 | C11 | C10 | 109.9° | 109.3° |
| C7 | C11 | O | 107.7° | 109.5° |
| C11 | C7 | H7 | 109.8° | 109.5° |
| C7 | C11 | H11 | 109.8° | 109.5° |
| C7 | C8 | C9 | 113.8° | 109.3° |
| C8 | C7 | H7 | 109.7° | 109.6° |
| C7 | C8 | H81C | 108.4° | 109.5° |
| C7 | C8 | H82C | 108.4° | 109.5° |
| C10 | C11 | O | 109.2° | 109.5° |
| C11 | C10 | N2 | 111.9° | 109.5° |
| C10 | C11 | H11 | 109.3° | 109.5° |
| C11 | C10 | H101 | 108.8° | 109.5° |
| C11 | C10 | H102 | 108.9° | 109.5° |
| C11 | O | C12 | 114.7° | 114.0° |
| O | C11 | H11 | 111.0° | 109.5° |
| C10 | N2 | C9 | 114.3° | 111.2° |
| N2 | C10 | H101 | 108.9° | 109.4° |
| N2 | C10 | H102 | 108.8° | 109.4° |
| C10 | N2 | HA | 108.3° | 111.0° |
| N2 | C9 | C8 | 116.0° | 109.5° |
| C9 | N2 | HA | 108.2° | 111.0° |
| N2 | C9 | H91C | 107.8° | 109.5° |
| N2 | C9 | H92C | 107.8° | 109.5° |
| C9 | C8 | H81C | 108.4° | 109.5° |
| C9 | C8 | H82C | 108.4° | 109.5° |
| C8 | C9 | H91C | 107.8° | 109.5° |
| C8 | C9 | H92C | 107.8° | 109.5° |
| O | C12 | C13 | 106.4° | 109.5° |
| O | C12 | H121 | 110.2° | 109.5° |
| O | C12 | H122 | 110.2° | 109.5° |
| C12 | C13 | C17 | 109.9° | 109.3° |
| C12 | C13 | C14 | 111.0° | 109.3° |
| C13 | C12 | H121 | 110.2° | 109.4° |
| C13 | C12 | H122 | 110.2° | 109.5° |
| C12 | C13 | H13 | 109.1° | 109.2° |
| C17 | C13 | C14 | 109.1° | 110.7° |
| C13 | C17 | C16 | 112.7° | 110.0° |
| C17 | C13 | H13 | 108.9° | 109.2° |
| C13 | C17 | H171 | 108.7° | 109.3° |
| C13 | C17 | H172 | 108.6° | 109.4° |
| C13 | C14 | C15 | 115.3° | 110.0° |
| C14 | C13 | H13 | 108.9° | 109.3° |
| C13 | C14 | H141 | 108.0° | 109.4° |
| C13 | C14 | H142 | 108.0° | 109.4° |
| C17 | C16 | S | 109.7° | 109.0° |
| C16 | C17 | H171 | 108.7° | 109.4° |
| C16 | C17 | H172 | 108.7° | 109.4° |
| C17 | C16 | H161 | 109.4° | 109.5° |
| C17 | C16 | H162 | 109.4° | 109.5° |
| C16 | S | O1 | 109.3° | 108.6° |
| C16 | S | O2 | 109.2° | 108.7° |
| C16 | S | C15 | 100.2° | 101.3° |
| S | C16 | H161 | 109.4° | 109.6° |
| S | C16 | H162 | 109.4° | 109.6° |
| O1 | S | O2 | 118.3° | 119.3° |
| O1 | S | C15 | 109.2° | 108.7° |
| O2 | S | C15 | 109.1° | 108.7° |
| S | C15 | C14 | 109.2° | 109.0° |
| S | C15 | H151 | 109.5° | 109.6° |
| S | C15 | H152 | 109.5° | 109.5° |
| C15 | C14 | H141 | 108.0° | 109.4° |
| C15 | C14 | H142 | 108.0° | 109.4° |
| C14 | C15 | H151 | 109.5° | 109.6° |
| C14 | C15 | H152 | 109.5° | 109.5° |
| HC1 | C | HC2 | 109.5° | 109.5° |
| HC1 | C | HC3 | 109.5° | 109.5° |
| HC2 | C | HC3 | 109.4° | 109.5° |
| H81C | C8 | H82C | 109.5° | 109.6° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H91C | C9 | H92C | 109.4° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| H171 | C17 | H172 | 109.5° | 109.3° |
| H141 | C14 | H142 | 109.4° | 109.3° |
| H161 | C16 | H162 | 109.5° | 109.6° |
| H151 | C15 | H152 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C19 | C1 | N3 | 179.5° | 179.7° |
| O3 | C19 | C1 | C | 0.2° | 0.0° |
| O3 | C19 | C1 | C2 | 179.9° | 180.0° |
| O3 | C19 | N3 | C18 | 179.6° | 180.0° |
| O3 | C19 | N3 | H3 | 0.4° | 0.0° |
| C19 | C1 | C | C2 | 180.0° | 180.0° |
| C1 | C19 | N3 | C18 | 0.1° | 0.2° |
| C19 | C1 | C2 | C3 | 0.2° | 0.0° |
| C1 | C19 | N3 | H3 | 179.9° | 179.8° |
| C19 | C1 | C | HC1 | 180.0° | 0.0° |
| C19 | C1 | C | HC2 | 60.0° | 120.0° |
| C19 | C1 | C | HC3 | 60.0° | 120.0° |
| C19 | C1 | C2 | H2 | 179.8° | 180.0° |
| N3 | C19 | C1 | C | 179.3° | 179.8° |
| N3 | C19 | C1 | C2 | 0.6° | 0.3° |
| C19 | N3 | C18 | H3 | 180.0° | 180.0° |
| C19 | N3 | C18 | C3 | 0.8° | 0.0° |
| C19 | N3 | C18 | C6 | 177.5° | 179.9° |
| C | C1 | C2 | C3 | 179.7° | 180.0° |
| C1 | C | HC1 | HC2 | 120.0° | 120.0° |
| C1 | C | HC1 | HC3 | 120.0° | 120.0° |
| C1 | C | HC2 | HC3 | 120.0° | 120.0° |
| C | C1 | C2 | H2 | 0.3° | 0.0° |
| C1 | C2 | C3 | C18 | 0.7° | 0.2° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 179.5° | 179.9° |
| C2 | C1 | C | HC1 | 0.1° | 180.0° |
| C2 | C1 | C | HC2 | 120.1° | 60.0° |
| C2 | C1 | C | HC3 | 120.0° | 60.0° |
| N3 | C18 | C3 | C6 | 178.1° | 180.0° |
| N3 | C18 | C3 | C2 | 1.2° | 0.3° |
| N3 | C18 | C3 | C4 | 180.0° | 180.0° |
| N3 | C18 | C6 | N | 179.4° | 180.0° |
| N3 | C18 | C6 | N1 | 3.3° | 0.0° |
| C18 | C3 | C2 | C4 | 178.8° | 179.7° |
| C3 | C18 | C6 | N | 2.5° | 0.0° |
| C3 | C18 | C6 | N1 | 174.8° | 180.0° |
| C18 | C3 | C4 | C5 | 0.2° | 0.1° |
| C3 | C18 | N3 | H3 | 179.2° | 180.0° |
| C18 | C3 | C2 | H2 | 179.3° | 179.7° |
| C18 | C3 | C4 | H4 | 179.8° | 180.0° |
| C6 | C18 | C3 | C2 | 177.0° | 179.7° |
| C6 | C18 | C3 | C4 | 1.9° | 0.0° |
| C18 | C6 | N | N1 | 177.5° | 180.0° |
| C18 | C6 | N | C5 | 1.4° | 0.0° |
| C18 | C6 | N1 | C7 | 177.0° | 180.0° |
| C6 | C18 | N3 | H3 | 2.6° | 0.0° |
| C18 | C6 | N1 | H1 | 54.6° | 0.0° |
| C2 | C3 | C4 | C5 | 178.6° | 179.7° |
| C2 | C3 | C4 | H4 | 1.4° | 0.3° |
| C3 | C4 | C5 | N | 0.8° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | H2 | 0.5° | 0.1° |
| C3 | C4 | C5 | H5 | 179.2° | 180.0° |
| C6 | N | C5 | C4 | 0.2° | 0.0° |
| N | C6 | N1 | C7 | 0.4° | 0.1° |
| N | C6 | N1 | H1 | 122.8° | 180.0° |
| C6 | N | C5 | H5 | 179.8° | 180.0° |
| N1 | C6 | N | C5 | 176.1° | 180.0° |
| C6 | N1 | C7 | H1 | 122.4° | 180.0° |
| C6 | N1 | C7 | C11 | 98.2° | 155.0° |
| C6 | N1 | C7 | C8 | 142.7° | 85.3° |
| C6 | N1 | C7 | H7 | 20.2° | 35.0° |
| N | C5 | C4 | H5 | 180.0° | 179.9° |
| N | C5 | C4 | H4 | 179.2° | 180.0° |
| N1 | C7 | C11 | C8 | 120.0° | 119.9° |
| N1 | C7 | C11 | H7 | 119.1° | 120.1° |
| N1 | C7 | C8 | H7 | 123.1° | 120.2° |
| N1 | C7 | C11 | C10 | 176.6° | 177.6° |
| N1 | C7 | C11 | O | 64.6° | 62.5° |
| N1 | C7 | C8 | C9 | 165.7° | 177.6° |
| N1 | C7 | C11 | H11 | 56.3° | 57.6° |
| N1 | C7 | C8 | H81C | 45.1° | 57.6° |
| N1 | C7 | C8 | H82C | 73.7° | 62.6° |
| C11 | C7 | C8 | H7 | 120.9° | 119.9° |
| C7 | C11 | C10 | O | 117.9° | 119.9° |
| C7 | C11 | C10 | H11 | 120.5° | 119.9° |
| C7 | C11 | O | H11 | 120.2° | 120.0° |
| C7 | C11 | C10 | N2 | 58.3° | 59.2° |
| C11 | C7 | C8 | C9 | 49.7° | 57.7° |
| C7 | C11 | O | C12 | 158.7° | 150.0° |
| C11 | C7 | N1 | H1 | 24.1° | 25.0° |
| C11 | C7 | C8 | H81C | 71.0° | 62.3° |
| C11 | C7 | C8 | H82C | 170.3° | 177.5° |
| C7 | C11 | C10 | H101 | 62.1° | 60.8° |
| C7 | C11 | C10 | H102 | 178.6° | 179.2° |
| C8 | C7 | C11 | C10 | 56.5° | 57.7° |
| C8 | C7 | C11 | O | 175.4° | 177.6° |
| C7 | C8 | C9 | N2 | 43.3° | 59.2° |
| C7 | C8 | C9 | H81C | 120.6° | 120.0° |
| C7 | C8 | C9 | H82C | 120.6° | 119.9° |
| C8 | C7 | N1 | H1 | 94.9° | 94.6° |
| C8 | C7 | C11 | H11 | 63.7° | 62.3° |
| C7 | C8 | H81C | H82C | 118.1° | 120.1° |
| C7 | C8 | C9 | H91C | 77.7° | 60.8° |
| C7 | C8 | C9 | H92C | 164.3° | 179.2° |
| C10 | C11 | O | H11 | 120.6° | 120.2° |
| C11 | C10 | N2 | H101 | 120.4° | 120.1° |
| C11 | C10 | N2 | H102 | 120.4° | 120.0° |
| C11 | C10 | N2 | C9 | 51.2° | 61.7° |
| C10 | C11 | O | C12 | 82.1° | 90.2° |
| C10 | C11 | C7 | H7 | 64.3° | 62.4° |
| C11 | C10 | H101 | H102 | 118.9° | 120.0° |
| C11 | C10 | N2 | HA | 171.8° | 174.2° |
| O | C11 | C10 | N2 | 176.2° | 179.1° |
| C11 | O | C12 | C13 | 168.6° | 180.0° |
| O | C11 | C7 | H7 | 54.5° | 57.6° |
| O | C11 | C10 | H101 | 55.8° | 59.1° |
| O | C11 | C10 | H102 | 63.5° | 60.9° |
| C11 | O | C12 | H121 | 49.1° | 60.1° |
| C11 | O | C12 | H122 | 71.9° | 59.9° |
| C10 | N2 | C9 | HA | 120.7° | 124.1° |
| C10 | N2 | C9 | C8 | 44.1° | 61.7° |
| N2 | C10 | C11 | H11 | 62.2° | 60.7° |
| N2 | C10 | H101 | H102 | 118.9° | 119.9° |
| C10 | N2 | C9 | H91C | 76.9° | 58.3° |
| C10 | N2 | C9 | H92C | 165.1° | 178.2° |
| N2 | C9 | C8 | H91C | 121.0° | 120.0° |
| N2 | C9 | C8 | H92C | 121.0° | 120.0° |
| N2 | C9 | C8 | H81C | 77.3° | 60.8° |
| N2 | C9 | C8 | H82C | 163.9° | 179.1° |
| C9 | N2 | C10 | H101 | 69.2° | 58.3° |
| C9 | N2 | C10 | H102 | 171.5° | 178.2° |
| N2 | C9 | H91C | H92C | 117.0° | 119.9° |
| C9 | C8 | C7 | H7 | 71.2° | 62.3° |
| C9 | C8 | H81C | H82C | 118.0° | 120.1° |
| C8 | C9 | N2 | HA | 164.8° | 174.2° |
| C8 | C9 | H91C | H92C | 117.0° | 120.0° |
| O | C12 | C13 | H121 | 119.5° | 120.0° |
| O | C12 | C13 | H122 | 119.5° | 120.1° |
| O | C12 | C13 | C17 | 174.0° | 175.0° |
| O | C12 | C13 | C14 | 65.3° | 63.8° |
| C12 | O | C11 | H11 | 38.5° | 30.0° |
| O | C12 | H121 | H122 | 121.4° | 120.0° |
| O | C12 | C13 | H13 | 54.7° | 55.6° |
| C12 | C13 | C17 | C14 | 121.9° | 120.3° |
| C12 | C13 | C17 | H13 | 119.4° | 119.4° |
| C12 | C13 | C14 | H13 | 120.1° | 119.4° |
| C12 | C13 | C17 | C16 | 177.3° | 169.7° |
| C12 | C13 | C14 | C15 | 177.9° | 169.7° |
| C13 | C12 | H121 | H122 | 121.4° | 120.0° |
| C12 | C13 | C17 | H171 | 62.3° | 70.1° |
| C12 | C13 | C17 | H172 | 56.8° | 49.5° |
| C12 | C13 | C14 | H141 | 57.0° | 49.5° |
| C12 | C13 | C14 | H142 | 61.3° | 70.1° |
| C17 | C13 | C14 | H13 | 118.7° | 120.2° |
| C13 | C17 | C16 | H171 | 120.5° | 120.1° |
| C13 | C17 | C16 | H172 | 120.5° | 120.2° |
| C13 | C17 | C16 | S | 64.2° | 63.6° |
| C17 | C13 | C14 | C15 | 60.9° | 69.9° |
| C17 | C13 | C12 | H121 | 66.5° | 65.0° |
| C17 | C13 | C12 | H122 | 54.5° | 54.9° |
| C13 | C17 | H171 | H172 | 118.5° | 119.7° |
| C17 | C13 | C14 | H141 | 178.2° | 169.8° |
| C17 | C13 | C14 | H142 | 60.0° | 50.2° |
| C13 | C17 | C16 | H161 | 175.8° | 176.5° |
| C13 | C17 | C16 | H162 | 55.9° | 56.2° |
| C14 | C13 | C17 | C16 | 60.9° | 69.9° |
| C13 | C14 | C15 | S | 62.1° | 63.6° |
| C13 | C14 | C15 | H141 | 120.9° | 120.2° |
| C13 | C14 | C15 | H142 | 120.9° | 120.2° |
| C14 | C13 | C12 | H121 | 54.3° | 56.2° |
| C14 | C13 | C12 | H122 | 175.2° | 176.1° |
| C14 | C13 | C17 | H171 | 59.6° | 50.2° |
| C14 | C13 | C17 | H172 | 178.7° | 169.9° |
| C13 | C14 | H141 | H142 | 117.3° | 119.7° |
| C13 | C14 | C15 | H151 | 177.9° | 176.5° |
| C13 | C14 | C15 | H152 | 57.9° | 56.2° |
| C17 | C16 | S | H161 | 120.1° | 119.9° |
| C17 | C16 | S | H162 | 120.1° | 119.8° |
| C17 | C16 | S | O1 | 172.5° | 168.6° |
| C17 | C16 | S | O2 | 56.7° | 60.2° |
| C17 | C16 | S | C15 | 57.8° | 54.3° |
| C16 | C17 | C13 | H13 | 57.9° | 50.3° |
| C16 | C17 | H171 | H172 | 118.6° | 119.7° |
| C17 | C16 | H161 | H162 | 119.9° | 120.2° |
| C16 | S | O1 | O2 | 125.7° | 125.2° |
| C16 | S | O1 | C15 | 108.7° | 109.5° |
| C16 | S | O2 | C15 | 108.6° | 109.5° |
| C16 | S | C15 | C14 | 56.0° | 54.3° |
| S | C16 | C17 | H171 | 56.3° | 56.5° |
| S | C16 | C17 | H172 | 175.4° | 176.2° |
| S | C16 | H161 | H162 | 119.8° | 120.3° |
| C16 | S | C15 | H151 | 175.9° | 174.2° |
| C16 | S | C15 | H152 | 64.0° | 65.6° |
| O1 | S | O2 | C15 | 125.6° | 125.3° |
| O1 | S | C15 | C14 | 170.8° | 168.6° |
| O1 | S | C16 | H161 | 67.4° | 71.5° |
| O1 | S | C16 | H162 | 52.4° | 48.8° |
| O1 | S | C15 | H151 | 69.3° | 71.5° |
| O1 | S | C15 | H152 | 50.8° | 48.8° |
| O2 | S | C15 | C14 | 58.6° | 60.1° |
| O2 | S | C16 | H161 | 63.4° | 59.7° |
| O2 | S | C16 | H162 | 176.8° | 180.0° |
| O2 | S | C15 | H151 | 61.4° | 59.8° |
| O2 | S | C15 | H152 | 178.5° | 179.9° |
| S | C15 | C14 | H151 | 119.9° | 119.9° |
| S | C15 | C14 | H152 | 120.0° | 119.8° |
| S | C15 | C14 | H141 | 177.0° | 176.2° |
| S | C15 | C14 | H142 | 58.8° | 56.5° |
| C15 | S | C16 | H161 | 177.9° | 174.1° |
| C15 | S | C16 | H162 | 62.2° | 65.5° |
| S | C15 | H151 | H152 | 120.1° | 120.2° |
| C15 | C14 | C13 | H13 | 57.8° | 50.3° |
| C15 | C14 | H141 | H142 | 117.3° | 119.7° |
| C14 | C15 | H151 | H152 | 120.1° | 120.2° |
| HC1 | C | HC2 | HC3 | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 0.8° | 0.1° |
| H1 | N1 | C7 | H7 | 142.6° | 145.1° |
| H7 | C7 | C11 | H11 | 175.5° | 177.7° |
| H7 | C7 | C8 | H81C | 168.2° | 177.8° |
| H7 | C7 | C8 | H82C | 49.4° | 57.6° |
| H11 | C11 | C10 | H101 | 177.4° | 179.2° |
| H11 | C11 | C10 | H102 | 58.1° | 59.2° |
| H81C | C8 | C9 | H91C | 161.7° | 179.2° |
| H81C | C8 | C9 | H92C | 43.6° | 59.3° |
| H82C | C8 | C9 | H91C | 42.9° | 59.1° |
| H82C | C8 | C9 | H92C | 75.1° | 60.9° |
| H101 | C10 | N2 | HA | 51.5° | 65.8° |
| H102 | C10 | N2 | HA | 67.8° | 54.1° |
| HA | N2 | C9 | H91C | 43.8° | 65.7° |
| HA | N2 | C9 | H92C | 74.3° | 54.1° |
| H121 | C12 | C13 | H13 | 174.3° | 175.6° |
| H122 | C12 | C13 | H13 | 64.8° | 64.4° |
| H13 | C13 | C17 | H171 | 178.4° | 170.5° |
| H13 | C13 | C17 | H172 | 62.6° | 69.8° |
| H13 | C13 | C14 | H141 | 63.1° | 69.9° |
| H13 | C13 | C14 | H142 | 178.6° | 170.4° |
| H171 | C17 | C16 | H161 | 63.7° | 63.4° |
| H171 | C17 | C16 | H162 | 176.3° | 176.4° |
| H172 | C17 | C16 | H161 | 55.3° | 56.3° |
| H172 | C17 | C16 | H162 | 64.6° | 64.0° |
| H141 | C14 | C15 | H151 | 57.1° | 56.3° |
| H141 | C14 | C15 | H152 | 63.0° | 64.0° |
| H142 | C14 | C15 | H151 | 61.2° | 63.3° |
| H142 | C14 | C15 | H152 | 178.7° | 176.4° |
