3W5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | C6 | doub | 1.40Å | 1.37Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | O2 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.43Å | 1.40Å | |
| C7 | C8 | trip | 1.17Å | 1.20Å | |
| C8 | C9 | sing | 1.47Å | 1.44Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | C13 | sing | 1.53Å | 1.55Å | |
| C9 | O1 | sing | 1.43Å | 1.42Å | |
| C10 | N1 | sing | 1.47Å | 1.50Å | |
| N1 | C11 | sing | 1.47Å | 1.51Å | |
| N1 | C15 | sing | 1.47Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| O2 | C16 | sing | 1.36Å | 1.37Å | |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.40Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.37Å | Aromatic |
| C19 | C22 | sing | 1.48Å | 1.47Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | O3 | doub | 1.22Å | 1.22Å | |
| C22 | N2 | sing | 1.35Å | 1.40Å | |
| N2 | C23 | sing | 1.46Å | 1.45Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | C27 | sing | 1.53Å | 1.50Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C26 | S1 | sing | 1.82Å | 1.75Å | |
| S1 | O4 | doub | 1.42Å | 1.46Å | |
| S1 | O5 | doub | 1.42Å | 1.46Å | |
| S1 | C27 | sing | 1.82Å | 1.80Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| O1 | HA | sing | 0.97Å | 0.95Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| N2 | HB | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 118.3° | 119.9° |
| C1 | C2 | C3 | 118.7° | 120.1° |
| C2 | C1 | H1 | 120.8° | 120.1° |
| C1 | C2 | H2 | 120.7° | 119.9° |
| C1 | C6 | C5 | 123.5° | 119.8° |
| C1 | C6 | C7 | 121.6° | 120.1° |
| C6 | C1 | H1 | 120.8° | 120.0° |
| C2 | C3 | C4 | 122.8° | 120.2° |
| C2 | C3 | O2 | 123.1° | 119.9° |
| C3 | C2 | H2 | 120.6° | 120.0° |
| C4 | C3 | O2 | 114.1° | 119.9° |
| C3 | C4 | C5 | 118.8° | 120.1° |
| C3 | C4 | H4 | 120.6° | 120.0° |
| C3 | O2 | C16 | 121.9° | 118.0° |
| C4 | C5 | C6 | 117.9° | 119.9° |
| C5 | C4 | H4 | 120.6° | 120.0° |
| C4 | C5 | H5 | 121.0° | 120.1° |
| C5 | C6 | C7 | 114.8° | 120.1° |
| C6 | C5 | H5 | 121.1° | 120.0° |
| C6 | C7 | C8 | 177.2° | 179.9° |
| C7 | C8 | C9 | 177.4° | 179.9° |
| C8 | C9 | C10 | 105.0° | 109.6° |
| C8 | C9 | C13 | 114.1° | 109.6° |
| C8 | C9 | O1 | 103.3° | 109.6° |
| C10 | C9 | C13 | 110.0° | 108.9° |
| C10 | C9 | O1 | 114.4° | 109.6° |
| C9 | C10 | N1 | 108.1° | 109.4° |
| C9 | C10 | H101 | 109.8° | 109.5° |
| C9 | C10 | H102 | 109.8° | 109.5° |
| C13 | C9 | O1 | 110.0° | 109.7° |
| C9 | C13 | C12 | 106.4° | 108.6° |
| C9 | C13 | C14 | 110.2° | 108.6° |
| C9 | C13 | H13 | 110.8° | 110.2° |
| C9 | O1 | HA | 109.5° | 114.0° |
| C10 | N1 | C11 | 110.5° | 111.1° |
| C10 | N1 | C15 | 111.0° | 111.0° |
| N1 | C10 | H101 | 109.8° | 109.5° |
| N1 | C10 | H102 | 109.8° | 109.4° |
| C11 | N1 | C15 | 114.5° | 110.9° |
| N1 | C11 | C12 | 106.4° | 109.4° |
| N1 | C11 | H111 | 110.2° | 109.5° |
| N1 | C11 | H112 | 110.2° | 109.5° |
| N1 | C15 | C14 | 106.3° | 109.4° |
| N1 | C15 | H151 | 110.2° | 109.5° |
| N1 | C15 | H152 | 110.3° | 109.5° |
| C11 | C12 | C13 | 111.5° | 108.8° |
| C12 | C11 | H111 | 110.3° | 109.5° |
| C12 | C11 | H112 | 110.2° | 109.5° |
| C11 | C12 | H121 | 108.9° | 109.6° |
| C11 | C12 | H122 | 109.0° | 109.6° |
| C12 | C13 | C14 | 107.7° | 108.6° |
| C12 | C13 | H13 | 110.9° | 110.1° |
| C13 | C12 | H121 | 109.0° | 109.6° |
| C13 | C12 | H122 | 109.0° | 109.6° |
| C13 | C14 | C15 | 110.4° | 108.8° |
| C14 | C13 | H13 | 110.7° | 110.7° |
| C13 | C14 | H141 | 109.2° | 109.6° |
| C13 | C14 | H142 | 109.2° | 109.6° |
| C14 | C15 | H151 | 110.3° | 109.5° |
| C14 | C15 | H152 | 110.3° | 109.5° |
| C15 | C14 | H141 | 109.3° | 109.5° |
| C15 | C14 | H142 | 109.3° | 109.6° |
| O2 | C16 | C17 | 125.1° | 119.9° |
| O2 | C16 | C21 | 114.3° | 119.9° |
| C17 | C16 | C21 | 120.5° | 120.2° |
| C16 | C17 | C18 | 119.0° | 120.1° |
| C16 | C17 | H17 | 120.5° | 120.0° |
| C16 | C21 | C20 | 120.2° | 120.1° |
| C16 | C21 | H21 | 119.9° | 119.9° |
| C17 | C18 | C19 | 120.0° | 119.9° |
| C18 | C17 | H17 | 120.5° | 120.0° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C18 | C19 | C20 | 121.3° | 119.8° |
| C18 | C19 | C22 | 121.4° | 120.1° |
| C19 | C18 | H18 | 120.0° | 120.0° |
| C20 | C19 | C22 | 117.2° | 120.1° |
| C19 | C20 | C21 | 119.0° | 119.9° |
| C19 | C20 | H20 | 120.5° | 120.1° |
| C19 | C22 | O3 | 120.4° | 120.0° |
| C19 | C22 | N2 | 111.0° | 120.0° |
| C20 | C21 | H21 | 119.9° | 120.0° |
| C21 | C20 | H20 | 120.5° | 120.0° |
| O3 | C22 | N2 | 128.4° | 120.0° |
| C22 | N2 | C23 | 129.0° | 120.0° |
| C22 | N2 | HB | 115.5° | 120.0° |
| N2 | C23 | C24 | 115.5° | 109.4° |
| N2 | C23 | C27 | 108.3° | 109.4° |
| C23 | N2 | HB | 115.5° | 120.0° |
| N2 | C23 | H23 | 107.4° | 109.4° |
| C24 | C23 | C27 | 111.6° | 110.0° |
| C23 | C24 | C25 | 113.3° | 110.7° |
| C24 | C23 | H23 | 106.8° | 109.4° |
| C23 | C24 | H241 | 108.5° | 109.2° |
| C23 | C24 | H242 | 108.5° | 109.2° |
| C23 | C27 | S1 | 113.9° | 109.0° |
| C27 | C23 | H23 | 106.8° | 109.3° |
| C23 | C27 | H271 | 108.4° | 109.5° |
| C23 | C27 | H272 | 108.4° | 109.6° |
| C24 | C25 | C26 | 108.8° | 110.0° |
| C25 | C24 | H241 | 108.5° | 109.3° |
| C25 | C24 | H242 | 108.5° | 109.3° |
| C24 | C25 | H251 | 109.6° | 109.3° |
| C24 | C25 | H252 | 109.6° | 109.4° |
| C25 | C26 | S1 | 99.2° | 109.0° |
| C26 | C25 | H251 | 109.6° | 109.4° |
| C26 | C25 | H252 | 109.6° | 109.4° |
| C25 | C26 | H261 | 112.0° | 109.6° |
| C25 | C26 | H262 | 112.0° | 109.5° |
| C26 | S1 | O4 | 115.1° | 108.7° |
| C26 | S1 | O5 | 98.0° | 108.7° |
| C26 | S1 | C27 | 108.7° | 101.3° |
| S1 | C26 | H261 | 112.0° | 109.6° |
| S1 | C26 | H262 | 112.0° | 109.5° |
| O4 | S1 | O5 | 125.9° | 119.3° |
| O4 | S1 | C27 | 102.0° | 108.6° |
| O5 | S1 | C27 | 106.3° | 108.8° |
| S1 | C27 | H271 | 108.3° | 109.6° |
| S1 | C27 | H272 | 108.3° | 109.6° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.7° |
| H141 | C14 | H142 | 109.4° | 109.7° |
| H241 | C24 | H242 | 109.5° | 109.2° |
| H271 | C27 | H272 | 109.5° | 109.6° |
| H251 | C25 | H252 | 109.5° | 109.3° |
| H261 | C26 | H262 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 1.1° | 0.1° |
| C1 | C2 | C3 | O2 | 179.3° | 179.9° |
| C2 | C1 | C6 | C5 | 0.3° | 0.1° |
| C2 | C1 | C6 | C7 | 178.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.1° |
| C1 | C6 | C5 | C4 | 0.4° | 0.1° |
| C1 | C6 | C5 | C7 | 179.3° | 179.9° |
| C1 | C6 | C7 | C8 | 64.0° | 102.2° |
| C6 | C1 | C2 | H2 | 179.6° | 179.9° |
| C1 | C6 | C5 | H5 | 179.6° | 179.9° |
| C2 | C3 | C4 | O2 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 1.0° | 0.1° |
| C2 | C3 | O2 | C16 | 47.8° | 67.4° |
| C3 | C2 | C1 | H1 | 179.6° | 179.7° |
| C2 | C3 | C4 | H4 | 179.0° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.1° |
| C4 | C3 | O2 | C16 | 131.8° | 112.6° |
| C4 | C3 | C2 | H2 | 178.9° | 179.9° |
| C3 | C4 | C5 | H5 | 179.7° | 179.9° |
| O2 | C3 | C4 | C5 | 179.3° | 179.9° |
| C3 | O2 | C16 | C17 | 17.9° | 6.1° |
| C3 | O2 | C16 | C21 | 163.3° | 173.6° |
| O2 | C3 | C2 | H2 | 0.7° | 0.1° |
| O2 | C3 | C4 | H4 | 0.7° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 178.9° | 180.0° |
| C5 | C6 | C7 | C8 | 115.3° | 77.9° |
| C5 | C6 | C1 | H1 | 179.7° | 179.8° |
| C6 | C5 | C4 | H4 | 179.7° | 180.0° |
| C6 | C7 | C8 | C9 | 78.1° | 163.9° |
| C7 | C6 | C1 | H1 | 1.1° | 0.3° |
| C7 | C6 | C5 | H5 | 1.1° | 0.0° |
| C7 | C8 | C9 | C10 | 50.5° | 86.0° |
| C7 | C8 | C9 | C13 | 70.0° | 33.4° |
| C7 | C8 | C9 | O1 | 170.7° | 153.7° |
| C8 | C9 | C10 | C13 | 123.2° | 119.9° |
| C8 | C9 | C10 | O1 | 112.5° | 120.2° |
| C8 | C9 | C13 | O1 | 115.5° | 120.3° |
| C8 | C9 | C10 | N1 | 126.5° | 119.9° |
| C8 | C9 | C13 | C12 | 178.7° | 178.8° |
| C8 | C9 | C13 | C14 | 62.2° | 60.9° |
| C8 | C9 | C10 | H101 | 6.8° | 0.1° |
| C8 | C9 | C10 | H102 | 113.7° | 120.2° |
| C8 | C9 | C13 | H13 | 60.7° | 60.6° |
| C8 | C9 | O1 | HA | 180.0° | 59.9° |
| C10 | C9 | C13 | O1 | 126.8° | 119.9° |
| C9 | C10 | N1 | H101 | 119.8° | 120.0° |
| C9 | C10 | N1 | H102 | 119.8° | 120.0° |
| C9 | C10 | N1 | C11 | 61.9° | 61.9° |
| C9 | C10 | N1 | C15 | 66.3° | 62.0° |
| C10 | C9 | C13 | C12 | 61.0° | 59.0° |
| C10 | C9 | C13 | C14 | 55.4° | 59.0° |
| C9 | C10 | H101 | H102 | 120.7° | 120.1° |
| C10 | C9 | C13 | H13 | 178.3° | 179.6° |
| C10 | C9 | O1 | HA | 66.5° | 60.3° |
| C13 | C9 | C10 | N1 | 3.3° | 0.0° |
| C9 | C13 | C12 | C11 | 57.9° | 59.0° |
| C9 | C13 | C12 | C14 | 118.1° | 117.9° |
| C9 | C13 | C12 | H13 | 120.6° | 120.7° |
| C9 | C13 | C14 | H13 | 122.9° | 121.1° |
| C9 | C13 | C14 | C15 | 55.9° | 59.0° |
| C13 | C9 | C10 | H101 | 116.5° | 120.0° |
| C13 | C9 | C10 | H102 | 123.1° | 119.9° |
| C13 | C9 | O1 | HA | 57.8° | 179.7° |
| C9 | C13 | C12 | H121 | 178.2° | 178.8° |
| C9 | C13 | C12 | H122 | 62.5° | 60.8° |
| C9 | C13 | C14 | H141 | 176.1° | 178.8° |
| C9 | C13 | C14 | H142 | 64.2° | 60.8° |
| O1 | C9 | C10 | N1 | 121.0° | 119.9° |
| O1 | C9 | C13 | C12 | 65.8° | 60.9° |
| O1 | C9 | C13 | C14 | 177.7° | 178.8° |
| O1 | C9 | C10 | H101 | 119.2° | 120.1° |
| O1 | C9 | C10 | H102 | 1.2° | 0.0° |
| O1 | C9 | C13 | H13 | 54.9° | 59.7° |
| C10 | N1 | C11 | C15 | 126.3° | 124.0° |
| C10 | N1 | C11 | C12 | 64.8° | 61.9° |
| C10 | N1 | C15 | C14 | 64.9° | 61.9° |
| N1 | C10 | H101 | H102 | 120.6° | 119.9° |
| C10 | N1 | C11 | H111 | 175.6° | 178.1° |
| C10 | N1 | C11 | H112 | 54.7° | 58.0° |
| C10 | N1 | C15 | H151 | 54.6° | 58.0° |
| C10 | N1 | C15 | H152 | 175.6° | 178.1° |
| N1 | C11 | C12 | H111 | 119.5° | 120.0° |
| N1 | C11 | C12 | H112 | 119.5° | 119.9° |
| N1 | C11 | C12 | C13 | 2.5° | 0.1° |
| C11 | N1 | C15 | C14 | 61.2° | 62.1° |
| C11 | N1 | C10 | H101 | 178.4° | 178.0° |
| C11 | N1 | C10 | H102 | 57.9° | 58.0° |
| N1 | C11 | H111 | H112 | 121.4° | 120.0° |
| C11 | N1 | C15 | H151 | 179.3° | 178.0° |
| C11 | N1 | C15 | H152 | 58.3° | 57.9° |
| N1 | C11 | C12 | H121 | 117.9° | 119.9° |
| N1 | C11 | C12 | H122 | 122.8° | 119.7° |
| C15 | N1 | C11 | C12 | 61.4° | 62.1° |
| N1 | C15 | C14 | C13 | 2.3° | 0.1° |
| N1 | C15 | C14 | H151 | 119.5° | 119.9° |
| N1 | C15 | C14 | H152 | 119.5° | 120.0° |
| C15 | N1 | C10 | H101 | 53.5° | 58.1° |
| C15 | N1 | C10 | H102 | 173.9° | 178.1° |
| C15 | N1 | C11 | H111 | 58.1° | 57.9° |
| C15 | N1 | C11 | H112 | 179.1° | 178.0° |
| N1 | C15 | H151 | H152 | 121.5° | 120.0° |
| N1 | C15 | C14 | H141 | 117.8° | 119.9° |
| N1 | C15 | C14 | H142 | 122.5° | 119.7° |
| C11 | C12 | C13 | H121 | 120.3° | 119.8° |
| C11 | C12 | C13 | H122 | 120.3° | 119.8° |
| C11 | C12 | C13 | C14 | 60.2° | 59.0° |
| C11 | C12 | C13 | H13 | 178.5° | 179.7° |
| C12 | C11 | H111 | H112 | 121.5° | 120.0° |
| C11 | C12 | H121 | H122 | 119.0° | 120.3° |
| C12 | C13 | C14 | H13 | 121.4° | 121.0° |
| C12 | C13 | C14 | C15 | 59.8° | 58.9° |
| C13 | C12 | C11 | H111 | 122.0° | 119.9° |
| C13 | C12 | C11 | H112 | 117.0° | 120.0° |
| C13 | C12 | H121 | H122 | 119.1° | 120.3° |
| C12 | C13 | C14 | H141 | 60.4° | 60.8° |
| C12 | C13 | C14 | H142 | 179.9° | 178.7° |
| C13 | C14 | C15 | H141 | 120.1° | 119.8° |
| C13 | C14 | C15 | H142 | 120.1° | 119.8° |
| C13 | C14 | C15 | H151 | 117.1° | 120.0° |
| C13 | C14 | C15 | H152 | 121.8° | 119.9° |
| C14 | C13 | C12 | H121 | 60.1° | 60.9° |
| C14 | C13 | C12 | H122 | 179.4° | 178.7° |
| C13 | C14 | H141 | H142 | 119.5° | 120.4° |
| C15 | C14 | C13 | H13 | 178.9° | 179.9° |
| C14 | C15 | H151 | H152 | 121.5° | 120.1° |
| C15 | C14 | H141 | H142 | 119.6° | 120.3° |
| O2 | C16 | C17 | C21 | 178.8° | 179.7° |
| O2 | C16 | C17 | C18 | 178.6° | 179.7° |
| O2 | C16 | C21 | C20 | 179.3° | 180.0° |
| O2 | C16 | C17 | H17 | 1.4° | 0.0° |
| O2 | C16 | C21 | H21 | 0.6° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.7° |
| C16 | C17 | C18 | C19 | 0.0° | 0.5° |
| C17 | C16 | C21 | C20 | 0.4° | 0.3° |
| C17 | C16 | C21 | H21 | 179.5° | 179.7° |
| C16 | C17 | C18 | H18 | 180.0° | 179.7° |
| C21 | C16 | C17 | C18 | 0.2° | 0.5° |
| C16 | C21 | C20 | C19 | 1.1° | 0.0° |
| C16 | C21 | C20 | H21 | 180.0° | 180.0° |
| C21 | C16 | C17 | H17 | 179.8° | 179.7° |
| C16 | C21 | C20 | H20 | 178.9° | 179.9° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C17 | C18 | C19 | C20 | 0.7° | 0.2° |
| C17 | C18 | C19 | C22 | 177.4° | 179.8° |
| C18 | C19 | C20 | C22 | 176.9° | 180.0° |
| C18 | C19 | C20 | C21 | 1.3° | 0.0° |
| C18 | C19 | C22 | O3 | 152.8° | 180.0° |
| C18 | C19 | C22 | N2 | 32.8° | 0.0° |
| C19 | C18 | C17 | H17 | 179.9° | 179.8° |
| C18 | C19 | C20 | H20 | 178.8° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C20 | C19 | C22 | O3 | 30.3° | 0.0° |
| C20 | C19 | C22 | N2 | 144.1° | 180.0° |
| C19 | C20 | C21 | H21 | 178.8° | 180.0° |
| C20 | C19 | C18 | H18 | 179.3° | 180.0° |
| C22 | C19 | C20 | C21 | 178.1° | 180.0° |
| C19 | C22 | O3 | N2 | 173.3° | 179.9° |
| C19 | C22 | N2 | C23 | 158.8° | 180.0° |
| C22 | C19 | C18 | H18 | 2.6° | 0.0° |
| C22 | C19 | C20 | H20 | 1.9° | 0.0° |
| C19 | C22 | N2 | HB | 21.1° | 0.0° |
| O3 | C22 | N2 | C23 | 27.3° | 0.1° |
| O3 | C22 | N2 | HB | 152.7° | 180.0° |
| C22 | N2 | C23 | HB | 180.0° | 180.0° |
| C22 | N2 | C23 | C24 | 38.0° | 155.0° |
| C22 | N2 | C23 | C27 | 88.0° | 84.4° |
| C22 | N2 | C23 | H23 | 157.0° | 35.2° |
| N2 | C23 | C24 | C27 | 124.3° | 120.2° |
| N2 | C23 | C24 | H23 | 119.3° | 119.8° |
| N2 | C23 | C27 | H23 | 115.4° | 119.7° |
| N2 | C23 | C24 | C25 | 179.4° | 169.8° |
| N2 | C23 | C27 | S1 | 168.0° | 176.2° |
| N2 | C23 | C24 | H241 | 58.8° | 49.5° |
| N2 | C23 | C24 | H242 | 60.1° | 69.9° |
| N2 | C23 | C27 | H271 | 47.4° | 64.0° |
| N2 | C23 | C27 | H272 | 71.3° | 56.3° |
| C24 | C23 | C27 | H23 | 116.4° | 120.1° |
| C23 | C24 | C25 | H241 | 120.6° | 120.3° |
| C23 | C24 | C25 | H242 | 120.6° | 120.3° |
| C23 | C24 | C25 | C26 | 79.7° | 70.0° |
| C24 | C23 | C27 | S1 | 39.8° | 63.6° |
| C24 | C23 | N2 | HB | 141.9° | 25.0° |
| C23 | C24 | H241 | H242 | 118.3° | 119.4° |
| C24 | C23 | C27 | H271 | 80.8° | 56.2° |
| C24 | C23 | C27 | H272 | 160.5° | 176.5° |
| C23 | C24 | C25 | H251 | 40.2° | 50.2° |
| C23 | C24 | C25 | H252 | 160.4° | 169.8° |
| C27 | C23 | C24 | C25 | 56.3° | 70.0° |
| C23 | C27 | S1 | C26 | 42.2° | 54.3° |
| C23 | C27 | S1 | O4 | 164.3° | 168.6° |
| C23 | C27 | S1 | O5 | 62.4° | 60.1° |
| C23 | C27 | S1 | H271 | 120.7° | 119.8° |
| C23 | C27 | S1 | H272 | 120.6° | 119.9° |
| C27 | C23 | N2 | HB | 92.1° | 95.5° |
| C27 | C23 | C24 | H241 | 176.9° | 169.7° |
| C27 | C23 | C24 | H242 | 64.2° | 50.3° |
| C23 | C27 | H271 | H272 | 118.0° | 120.2° |
| C24 | C25 | C26 | H251 | 119.9° | 120.1° |
| C24 | C25 | C26 | H252 | 119.9° | 120.2° |
| C24 | C25 | C26 | S1 | 73.5° | 63.6° |
| C25 | C24 | C23 | H23 | 60.1° | 50.0° |
| C25 | C24 | H241 | H242 | 118.2° | 119.4° |
| C24 | C25 | H251 | H252 | 120.3° | 119.7° |
| C24 | C25 | C26 | H261 | 168.2° | 176.5° |
| C24 | C25 | C26 | H262 | 44.8° | 56.2° |
| C25 | C26 | S1 | H261 | 118.3° | 119.9° |
| C25 | C26 | S1 | H262 | 118.3° | 119.8° |
| C25 | C26 | S1 | O4 | 169.0° | 168.6° |
| C25 | C26 | S1 | O5 | 54.9° | 60.1° |
| C25 | C26 | S1 | C27 | 55.4° | 54.3° |
| C26 | C25 | C24 | H241 | 159.8° | 169.7° |
| C26 | C25 | C24 | H242 | 40.9° | 50.3° |
| C26 | C25 | H251 | H252 | 120.3° | 119.8° |
| C25 | C26 | H261 | H262 | 124.8° | 120.2° |
| C26 | S1 | O4 | O5 | 122.0° | 125.2° |
| C26 | S1 | O4 | C27 | 117.5° | 109.5° |
| C26 | S1 | O5 | C27 | 112.3° | 109.5° |
| C26 | S1 | C27 | H271 | 78.4° | 65.5° |
| C26 | S1 | C27 | H272 | 162.9° | 174.2° |
| S1 | C26 | C25 | H251 | 46.4° | 56.5° |
| S1 | C26 | C25 | H252 | 166.7° | 176.2° |
| S1 | C26 | H261 | H262 | 124.8° | 120.2° |
| O4 | S1 | O5 | C27 | 118.6° | 125.3° |
| O4 | S1 | C27 | H271 | 43.6° | 48.8° |
| O4 | S1 | C27 | H272 | 75.1° | 71.5° |
| O4 | S1 | C26 | H261 | 72.7° | 71.5° |
| O4 | S1 | C26 | H262 | 50.7° | 48.8° |
| O5 | S1 | C27 | H271 | 176.9° | 179.9° |
| O5 | S1 | C27 | H272 | 58.3° | 59.8° |
| O5 | S1 | C26 | H261 | 63.4° | 59.7° |
| O5 | S1 | C26 | H262 | 173.2° | 179.9° |
| S1 | C27 | C23 | H23 | 76.5° | 56.5° |
| S1 | C27 | H271 | H272 | 118.0° | 120.3° |
| C27 | S1 | C26 | H261 | 173.7° | 174.2° |
| C27 | S1 | C26 | H262 | 62.9° | 65.5° |
| H1 | C1 | C2 | H2 | 0.4° | 0.4° |
| H4 | C4 | C5 | H5 | 0.3° | 0.0° |
| H13 | C13 | C12 | H121 | 61.2° | 60.5° |
| H13 | C13 | C12 | H122 | 58.2° | 59.9° |
| H13 | C13 | C14 | H141 | 61.0° | 60.1° |
| H13 | C13 | C14 | H142 | 58.7° | 60.3° |
| H111 | C11 | C12 | H121 | 1.6° | 0.1° |
| H111 | C11 | C12 | H122 | 117.7° | 120.3° |
| H112 | C11 | C12 | H121 | 122.6° | 120.1° |
| H112 | C11 | C12 | H122 | 3.3° | 0.2° |
| H151 | C15 | C14 | H141 | 122.7° | 120.2° |
| H151 | C15 | C14 | H142 | 3.0° | 0.2° |
| H152 | C15 | C14 | H141 | 1.7° | 0.1° |
| H152 | C15 | C14 | H142 | 118.0° | 120.3° |
| H17 | C17 | C18 | H18 | 0.1° | 0.0° |
| H21 | C21 | C20 | H20 | 1.1° | 0.0° |
| HB | N2 | C23 | H23 | 23.0° | 144.8° |
| H23 | C23 | C24 | H241 | 60.5° | 70.3° |
| H23 | C23 | C24 | H242 | 179.3° | 170.3° |
| H23 | C23 | C27 | H271 | 162.8° | 176.3° |
| H23 | C23 | C27 | H272 | 44.1° | 63.4° |
| H241 | C24 | C25 | H251 | 80.4° | 70.1° |
| H241 | C24 | C25 | H252 | 39.9° | 49.5° |
| H242 | C24 | C25 | H251 | 160.8° | 170.5° |
| H242 | C24 | C25 | H252 | 79.0° | 69.9° |
| H251 | C25 | C26 | H261 | 71.9° | 63.4° |
| H251 | C25 | C26 | H262 | 164.7° | 176.3° |
| H252 | C25 | C26 | H261 | 48.4° | 56.3° |
| H252 | C25 | C26 | H262 | 75.0° | 64.0° |
