ADF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | O3 | doub | 1.21Å | 1.23Å | |
| C1 | N8 | sing | 1.35Å | 1.39Å | |
| C2 | C4 | sing | 1.55Å | 1.53Å | |
| C2 | N7 | sing | 1.49Å | 1.46Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.55Å | 1.50Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.54Å | 1.51Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | C9 | sing | 1.53Å | 1.54Å | |
| C6 | N7 | sing | 1.48Å | 1.45Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | O11 | sing | 1.43Å | 1.41Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| N7 | HN7 | sing | 1.01Å | 1.00Å | |
| N8 | C12 | sing | 1.47Å | 1.47Å | |
| N8 | C15 | sing | 1.47Å | 1.48Å | |
| C10 | O11 | sing | 1.36Å | 1.41Å | |
| C10 | C16 | sing | 1.39Å | 1.46Å | Aromatic |
| C10 | C20 | doub | 1.39Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.54Å | 1.54Å | |
| C12 | C21 | sing | 1.53Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.55Å | 1.51Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | doub | 1.38Å | 1.43Å | Aromatic |
| C16 | C24 | sing | 1.51Å | 1.58Å | |
| C17 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | doub | 1.40Å | 1.42Å | Aromatic |
| C18 | C23 | sing | 1.47Å | 1.49Å | |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | N22 | sing | 1.47Å | 1.35Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| N22 | H221 | sing | 1.01Å | 1.00Å | |
| N22 | H222 | sing | 1.01Å | 1.00Å | |
| C23 | O28 | sing | 1.35Å | 1.24Å | |
| C23 | O29 | doub | 1.22Å | 1.25Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | C26 | sing | 1.53Å | 1.55Å | |
| C24 | C27 | sing | 1.53Å | 1.56Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| O28 | HO28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O3 | 119.7° | 120.0° |
| C2 | C1 | N8 | 116.4° | 120.0° |
| C1 | C2 | C4 | 113.3° | 110.7° |
| C1 | C2 | N7 | 112.9° | 110.8° |
| C1 | C2 | H2 | 103.5° | 110.6° |
| O3 | C1 | N8 | 124.0° | 120.0° |
| C1 | N8 | C12 | 123.3° | 125.7° |
| C1 | N8 | C15 | 125.1° | 125.6° |
| C4 | C2 | N7 | 107.0° | 103.3° |
| C4 | C2 | H2 | 109.8° | 110.7° |
| C2 | C4 | C5 | 104.8° | 102.9° |
| C2 | C4 | H41 | 111.1° | 110.7° |
| C2 | C4 | H42 | 112.1° | 110.7° |
| N7 | C2 | H2 | 110.2° | 110.5° |
| C2 | N7 | C6 | 108.3° | 105.7° |
| C2 | N7 | HN7 | 109.9° | 106.7° |
| C5 | C4 | H41 | 111.1° | 110.7° |
| C5 | C4 | H42 | 112.1° | 110.7° |
| C4 | C5 | C6 | 103.7° | 105.1° |
| C4 | C5 | H51 | 111.4° | 110.3° |
| C4 | C5 | H52 | 112.7° | 110.3° |
| H41 | C4 | H42 | 105.9° | 110.8° |
| C6 | C5 | H51 | 111.5° | 110.3° |
| C6 | C5 | H52 | 112.7° | 110.3° |
| C5 | C6 | C9 | 113.8° | 109.9° |
| C5 | C6 | N7 | 107.7° | 107.3° |
| C5 | C6 | H6 | 108.3° | 109.9° |
| H51 | C5 | H52 | 105.1° | 110.4° |
| C9 | C6 | N7 | 111.0° | 109.9° |
| C9 | C6 | H6 | 104.8° | 109.9° |
| C6 | C9 | O11 | 103.9° | 109.5° |
| C6 | C9 | H91 | 111.3° | 109.4° |
| C6 | C9 | H92 | 112.5° | 109.5° |
| N7 | C6 | H6 | 111.2° | 109.9° |
| C6 | N7 | HN7 | 109.9° | 107.0° |
| O11 | C9 | H91 | 111.3° | 109.5° |
| O11 | C9 | H92 | 112.5° | 109.5° |
| C9 | O11 | C10 | 124.1° | 106.8° |
| H91 | C9 | H92 | 105.3° | 109.5° |
| C12 | N8 | C15 | 111.5° | 108.7° |
| N8 | C12 | C13 | 103.9° | 107.2° |
| N8 | C12 | C21 | 117.7° | 110.3° |
| N8 | C12 | H12 | 106.5° | 109.6° |
| N8 | C15 | C14 | 104.8° | 104.8° |
| N8 | C15 | H151 | 111.1° | 110.3° |
| N8 | C15 | H152 | 112.1° | 110.4° |
| O11 | C10 | C16 | 116.9° | 119.9° |
| O11 | C10 | C20 | 123.5° | 119.9° |
| C16 | C10 | C20 | 119.5° | 120.2° |
| C10 | C16 | C17 | 117.1° | 120.1° |
| C10 | C16 | C24 | 122.5° | 120.0° |
| C10 | C20 | C19 | 121.2° | 120.1° |
| C10 | C20 | H20 | 119.4° | 120.0° |
| C13 | C12 | C21 | 104.8° | 109.9° |
| C13 | C12 | H12 | 119.0° | 109.9° |
| C12 | C13 | C14 | 106.0° | 103.0° |
| C12 | C13 | H131 | 110.7° | 110.8° |
| C12 | C13 | H132 | 111.4° | 110.5° |
| C21 | C12 | H12 | 105.6° | 109.9° |
| C12 | C21 | N22 | 122.8° | 109.5° |
| C12 | C21 | H211 | 105.2° | 109.5° |
| C12 | C21 | H212 | 102.1° | 109.5° |
| C14 | C13 | H131 | 110.7° | 110.8° |
| C14 | C13 | H132 | 111.4° | 110.7° |
| C13 | C14 | C15 | 103.4° | 101.6° |
| C13 | C14 | H141 | 111.5° | 111.0° |
| C13 | C14 | H142 | 112.8° | 111.0° |
| H131 | C13 | H132 | 106.8° | 110.8° |
| C15 | C14 | H141 | 111.5° | 111.0° |
| C15 | C14 | H142 | 112.8° | 111.0° |
| C14 | C15 | H151 | 111.1° | 110.4° |
| C14 | C15 | H152 | 112.1° | 110.4° |
| H141 | C14 | H142 | 104.9° | 110.9° |
| H151 | C15 | H152 | 105.9° | 110.5° |
| C17 | C16 | C24 | 120.4° | 120.0° |
| C16 | C17 | C18 | 122.9° | 119.9° |
| C16 | C17 | H17 | 118.6° | 120.1° |
| C16 | C24 | C25 | 110.5° | 109.5° |
| C16 | C24 | C26 | 110.7° | 109.5° |
| C16 | C24 | C27 | 114.4° | 109.5° |
| C18 | C17 | H17 | 118.5° | 120.0° |
| C17 | C18 | C19 | 118.6° | 119.9° |
| C17 | C18 | C23 | 120.8° | 120.1° |
| C19 | C18 | C23 | 120.6° | 120.1° |
| C18 | C19 | C20 | 120.7° | 119.9° |
| C18 | C19 | H19 | 119.7° | 120.1° |
| C18 | C23 | O28 | 119.3° | 120.0° |
| C18 | C23 | O29 | 119.4° | 120.0° |
| C20 | C19 | H19 | 119.6° | 120.1° |
| C19 | C20 | H20 | 119.4° | 119.9° |
| N22 | C21 | H211 | 105.3° | 109.4° |
| N22 | C21 | H212 | 102.1° | 109.4° |
| C21 | N22 | H221 | 109.5° | 106.7° |
| C21 | N22 | H222 | 109.4° | 106.7° |
| H211 | C21 | H212 | 120.7° | 109.4° |
| H221 | N22 | H222 | 109.4° | 106.7° |
| O28 | C23 | O29 | 121.3° | 120.0° |
| C23 | O28 | HO28 | 109.5° | 120.1° |
| C25 | C24 | C26 | 109.5° | 109.4° |
| C25 | C24 | C27 | 106.4° | 109.5° |
| C24 | C25 | H251 | 109.5° | 109.4° |
| C24 | C25 | H252 | 109.5° | 109.4° |
| C24 | C25 | H253 | 109.5° | 109.5° |
| C26 | C24 | C27 | 105.1° | 109.5° |
| C24 | C26 | H261 | 109.5° | 109.5° |
| C24 | C26 | H262 | 109.5° | 109.5° |
| C24 | C26 | H263 | 109.5° | 109.5° |
| C24 | C27 | H271 | 109.5° | 109.5° |
| C24 | C27 | H272 | 109.5° | 109.5° |
| C24 | C27 | H273 | 109.4° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.4° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.4° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.4° | 109.5° |
| H271 | C27 | H273 | 109.5° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O3 | N8 | 179.8° | 180.0° |
| C1 | C2 | C4 | N7 | 125.2° | 118.7° |
| C1 | C2 | C4 | H2 | 115.2° | 122.9° |
| C1 | C2 | N7 | H2 | 115.2° | 123.0° |
| C1 | C2 | C4 | C5 | 144.9° | 156.0° |
| C1 | C2 | C4 | H41 | 24.9° | 85.6° |
| C1 | C2 | C4 | H42 | 93.3° | 37.7° |
| C1 | C2 | N7 | C6 | 128.0° | 157.6° |
| C1 | C2 | N7 | HN7 | 112.1° | 88.9° |
| C2 | C1 | N8 | C12 | 179.2° | 179.7° |
| C2 | C1 | N8 | C15 | 0.6° | 0.0° |
| O3 | C1 | C2 | C4 | 92.0° | 100.0° |
| O3 | C1 | C2 | N7 | 29.9° | 14.0° |
| O3 | C1 | C2 | H2 | 149.1° | 137.0° |
| O3 | C1 | N8 | C12 | 0.6° | 0.3° |
| O3 | C1 | N8 | C15 | 179.6° | 180.0° |
| N8 | C1 | C2 | C4 | 87.8° | 80.0° |
| N8 | C1 | C2 | N7 | 150.3° | 166.0° |
| N8 | C1 | C2 | H2 | 31.1° | 43.0° |
| C1 | N8 | C12 | C15 | 179.9° | 179.8° |
| C1 | N8 | C12 | C13 | 179.0° | 178.8° |
| C1 | N8 | C12 | C21 | 65.7° | 61.5° |
| C1 | N8 | C12 | H12 | 52.5° | 59.6° |
| C1 | N8 | C15 | C14 | 161.3° | 155.9° |
| C1 | N8 | C15 | H151 | 41.3° | 37.1° |
| C1 | N8 | C15 | H152 | 77.0° | 85.3° |
| C4 | C2 | N7 | H2 | 119.4° | 118.4° |
| C2 | C4 | C5 | H41 | 120.0° | 118.4° |
| C2 | C4 | C5 | H42 | 121.8° | 118.3° |
| C2 | C4 | H41 | H42 | 121.9° | 123.2° |
| C2 | C4 | C5 | C6 | 28.4° | 21.9° |
| C2 | C4 | C5 | H51 | 148.4° | 96.9° |
| C2 | C4 | C5 | H52 | 93.8° | 140.8° |
| C4 | C2 | N7 | C6 | 2.6° | 39.0° |
| C4 | C2 | N7 | HN7 | 122.6° | 152.6° |
| N7 | C2 | C4 | C5 | 19.8° | 37.3° |
| N7 | C2 | C4 | H41 | 100.2° | 155.7° |
| N7 | C2 | C4 | H42 | 141.5° | 81.0° |
| C2 | N7 | C6 | C5 | 15.7° | 25.1° |
| C2 | N7 | C6 | C9 | 109.5° | 144.6° |
| C2 | N7 | C6 | HN7 | 120.0° | 113.4° |
| C2 | N7 | C6 | H6 | 134.2° | 94.4° |
| H2 | C2 | C4 | C5 | 99.9° | 81.0° |
| H2 | C2 | C4 | H41 | 140.1° | 37.3° |
| H2 | C2 | C4 | H42 | 21.9° | 160.6° |
| H2 | C2 | N7 | C6 | 116.8° | 79.5° |
| H2 | C2 | N7 | HN7 | 3.2° | 34.1° |
| C5 | C4 | H41 | H42 | 121.9° | 123.2° |
| C4 | C5 | C6 | H51 | 120.0° | 118.9° |
| C4 | C5 | C6 | H52 | 122.1° | 118.9° |
| C4 | C5 | H51 | H52 | 122.3° | 122.2° |
| C4 | C5 | C6 | C9 | 95.7° | 120.6° |
| C4 | C5 | C6 | N7 | 27.7° | 1.1° |
| C4 | C5 | C6 | H6 | 148.1° | 118.3° |
| H41 | C4 | C5 | C6 | 91.7° | 140.3° |
| H41 | C4 | C5 | H51 | 28.3° | 21.5° |
| H41 | C4 | C5 | H52 | 146.2° | 100.8° |
| H42 | C4 | C5 | C6 | 150.1° | 96.4° |
| H42 | C4 | C5 | H51 | 89.9° | 144.7° |
| H42 | C4 | C5 | H52 | 28.0° | 22.5° |
| C6 | C5 | H51 | H52 | 122.4° | 122.2° |
| C5 | C6 | C9 | N7 | 121.7° | 117.8° |
| C5 | C6 | C9 | H6 | 118.2° | 121.1° |
| C5 | C6 | N7 | H6 | 118.6° | 119.5° |
| C5 | C6 | C9 | O11 | 67.6° | 175.4° |
| C5 | C6 | C9 | H91 | 172.4° | 55.4° |
| C5 | C6 | C9 | H92 | 54.4° | 64.6° |
| C5 | C6 | N7 | HN7 | 104.3° | 138.5° |
| H51 | C5 | C6 | C9 | 24.3° | 120.5° |
| H51 | C5 | C6 | N7 | 147.7° | 120.0° |
| H51 | C5 | C6 | H6 | 91.9° | 0.6° |
| H52 | C5 | C6 | C9 | 142.1° | 1.7° |
| H52 | C5 | C6 | N7 | 94.4° | 117.7° |
| H52 | C5 | C6 | H6 | 26.0° | 122.8° |
| C9 | C6 | N7 | H6 | 116.3° | 121.1° |
| C6 | C9 | O11 | H91 | 120.0° | 119.9° |
| C6 | C9 | O11 | H92 | 122.0° | 120.0° |
| C6 | C9 | H91 | H92 | 122.3° | 120.0° |
| C9 | C6 | N7 | HN7 | 130.6° | 102.1° |
| C6 | C9 | O11 | C10 | 176.8° | 180.0° |
| N7 | C6 | C9 | O11 | 170.7° | 66.8° |
| N7 | C6 | C9 | H91 | 50.8° | 173.2° |
| N7 | C6 | C9 | H92 | 67.2° | 53.2° |
| H6 | C6 | C9 | O11 | 50.6° | 54.3° |
| H6 | C6 | C9 | H91 | 69.4° | 65.7° |
| H6 | C6 | C9 | H92 | 172.6° | 174.3° |
| H6 | C6 | N7 | HN7 | 14.2° | 19.0° |
| O11 | C9 | H91 | H92 | 122.2° | 120.0° |
| C9 | O11 | C10 | C16 | 178.9° | 179.5° |
| C9 | O11 | C10 | C20 | 0.8° | 0.0° |
| H91 | C9 | O11 | C10 | 56.9° | 60.1° |
| H92 | C9 | O11 | C10 | 61.1° | 60.0° |
| N8 | C12 | C13 | C21 | 124.1° | 119.9° |
| N8 | C12 | C13 | H12 | 118.2° | 119.1° |
| N8 | C12 | C21 | H12 | 118.7° | 120.9° |
| N8 | C12 | C13 | C14 | 20.5° | 21.9° |
| N8 | C12 | C13 | H131 | 99.5° | 140.4° |
| N8 | C12 | C13 | H132 | 141.8° | 96.5° |
| C12 | N8 | C15 | C14 | 18.6° | 24.4° |
| C12 | N8 | C15 | H151 | 138.6° | 143.2° |
| C12 | N8 | C15 | H152 | 103.2° | 94.5° |
| N8 | C12 | C21 | N22 | 0.4° | 55.5° |
| N8 | C12 | C21 | H211 | 119.6° | 175.5° |
| N8 | C12 | C21 | H212 | 113.6° | 64.5° |
| C15 | N8 | C12 | C13 | 1.2° | 1.4° |
| C15 | N8 | C12 | C21 | 114.2° | 118.2° |
| C15 | N8 | C12 | H12 | 127.7° | 120.7° |
| N8 | C15 | C14 | C13 | 30.4° | 37.0° |
| N8 | C15 | C14 | H151 | 120.0° | 118.8° |
| N8 | C15 | C14 | H152 | 121.8° | 118.8° |
| N8 | C15 | C14 | H141 | 89.6° | 81.1° |
| N8 | C15 | C14 | H142 | 152.6° | 155.1° |
| N8 | C15 | H151 | H152 | 121.9° | 122.3° |
| O11 | C10 | C16 | C20 | 178.2° | 179.5° |
| O11 | C10 | C16 | C17 | 178.7° | 180.0° |
| O11 | C10 | C16 | C24 | 1.8° | 0.3° |
| O11 | C10 | C20 | C19 | 178.8° | 180.0° |
| O11 | C10 | C20 | H20 | 1.2° | 0.3° |
| C10 | C16 | C17 | C24 | 179.5° | 179.7° |
| C10 | C16 | C17 | C18 | 0.9° | 0.2° |
| C10 | C16 | C17 | H17 | 179.2° | 179.8° |
| C16 | C10 | C20 | C19 | 0.7° | 0.6° |
| C16 | C10 | C20 | H20 | 179.3° | 179.7° |
| C10 | C16 | C24 | C25 | 54.6° | 179.7° |
| C10 | C16 | C24 | C26 | 66.9° | 59.7° |
| C10 | C16 | C24 | C27 | 174.6° | 60.3° |
| C20 | C10 | C16 | C17 | 0.5° | 0.5° |
| C20 | C10 | C16 | C24 | 180.0° | 179.7° |
| C10 | C20 | C19 | C18 | 1.2° | 0.3° |
| C10 | C20 | C19 | H20 | 180.0° | 179.7° |
| C10 | C20 | C19 | H19 | 178.8° | 179.7° |
| C13 | C12 | C21 | H12 | 126.5° | 121.0° |
| C12 | C13 | C14 | H131 | 120.0° | 118.6° |
| C12 | C13 | C14 | H132 | 121.3° | 118.1° |
| C12 | C13 | H131 | H132 | 121.4° | 123.0° |
| C12 | C13 | C14 | C15 | 31.6° | 35.3° |
| C12 | C13 | C14 | H141 | 88.4° | 82.8° |
| C12 | C13 | C14 | H142 | 153.8° | 153.4° |
| C13 | C12 | C21 | N22 | 114.4° | 173.5° |
| C13 | C12 | C21 | H211 | 125.6° | 66.5° |
| C13 | C12 | C21 | H212 | 1.2° | 53.5° |
| C21 | C12 | C13 | C14 | 103.6° | 141.7° |
| C21 | C12 | C13 | H131 | 136.4° | 99.8° |
| C21 | C12 | C13 | H132 | 17.7° | 23.4° |
| C12 | C21 | N22 | H211 | 120.0° | 120.0° |
| C12 | C21 | N22 | H212 | 113.2° | 120.0° |
| C12 | C21 | H211 | H212 | 114.5° | 120.0° |
| C12 | C21 | N22 | H221 | 113.7° | 66.2° |
| C12 | C21 | N22 | H222 | 6.3° | 180.0° |
| H12 | C12 | C13 | C14 | 138.7° | 97.2° |
| H12 | C12 | C13 | H131 | 18.7° | 21.3° |
| H12 | C12 | C13 | H132 | 100.0° | 144.5° |
| H12 | C12 | C21 | N22 | 119.1° | 65.4° |
| H12 | C12 | C21 | H211 | 0.9° | 54.6° |
| H12 | C12 | C21 | H212 | 127.7° | 174.5° |
| C14 | C13 | H131 | H132 | 121.4° | 123.3° |
| C13 | C14 | C15 | H141 | 120.0° | 118.1° |
| C13 | C14 | C15 | H142 | 122.2° | 118.1° |
| C13 | C14 | H141 | H142 | 122.4° | 123.9° |
| C13 | C14 | C15 | H151 | 150.4° | 155.8° |
| C13 | C14 | C15 | H152 | 91.4° | 81.8° |
| H131 | C13 | C14 | C15 | 88.4° | 153.9° |
| H131 | C13 | C14 | H141 | 151.6° | 35.8° |
| H131 | C13 | C14 | H142 | 33.8° | 88.0° |
| H132 | C13 | C14 | C15 | 152.9° | 82.8° |
| H132 | C13 | C14 | H141 | 32.9° | 159.1° |
| H132 | C13 | C14 | H142 | 84.9° | 35.3° |
| C15 | C14 | H141 | H142 | 122.4° | 123.9° |
| C14 | C15 | H151 | H152 | 121.9° | 122.3° |
| H141 | C14 | C15 | H151 | 30.4° | 37.7° |
| H141 | C14 | C15 | H152 | 148.6° | 160.1° |
| H142 | C14 | C15 | H151 | 87.4° | 86.1° |
| H142 | C14 | C15 | H152 | 30.8° | 36.3° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 1.3° | 0.1° |
| C16 | C17 | C18 | C23 | 179.5° | 180.0° |
| C17 | C16 | C24 | C25 | 126.0° | 0.0° |
| C17 | C16 | C24 | C26 | 112.6° | 120.0° |
| C17 | C16 | C24 | C27 | 5.9° | 120.0° |
| C24 | C16 | C17 | C18 | 179.6° | 180.0° |
| C24 | C16 | C17 | H17 | 0.3° | 0.0° |
| C16 | C24 | C25 | C26 | 122.2° | 120.0° |
| C16 | C24 | C25 | C27 | 124.7° | 120.0° |
| C16 | C24 | C26 | C27 | 124.0° | 120.0° |
| C16 | C24 | C25 | H251 | 129.6° | 59.9° |
| C16 | C24 | C25 | H252 | 110.4° | 60.0° |
| C16 | C24 | C25 | H253 | 9.6° | 180.0° |
| C16 | C24 | C26 | H261 | 61.5° | 180.0° |
| C16 | C24 | C26 | H262 | 178.5° | 60.0° |
| C16 | C24 | C26 | H263 | 58.5° | 60.0° |
| C16 | C24 | C27 | H271 | 27.3° | 60.0° |
| C16 | C24 | C27 | H272 | 147.2° | 60.0° |
| C16 | C24 | C27 | H273 | 92.8° | 180.0° |
| C17 | C18 | C19 | C23 | 179.2° | 179.9° |
| C17 | C18 | C19 | C20 | 1.4° | 0.0° |
| C17 | C18 | C19 | H19 | 178.6° | 180.0° |
| C17 | C18 | C23 | O28 | 0.8° | 180.0° |
| C17 | C18 | C23 | O29 | 179.7° | 0.0° |
| H17 | C17 | C18 | C19 | 178.7° | 179.9° |
| H17 | C17 | C18 | C23 | 0.5° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | H20 | 178.8° | 180.0° |
| C19 | C18 | C23 | O28 | 179.9° | 0.1° |
| C19 | C18 | C23 | O29 | 0.6° | 179.9° |
| C23 | C18 | C19 | C20 | 179.4° | 180.0° |
| C23 | C18 | C19 | H19 | 0.6° | 0.1° |
| C18 | C23 | O28 | O29 | 179.5° | 180.0° |
| C18 | C23 | O28 | HO28 | 179.5° | 180.0° |
| H19 | C19 | C20 | H20 | 1.2° | 0.0° |
| N22 | C21 | H211 | H212 | 114.5° | 119.9° |
| C21 | N22 | H221 | H222 | 120.0° | 113.8° |
| H211 | C21 | N22 | H221 | 126.3° | 53.8° |
| H211 | C21 | N22 | H222 | 113.7° | 59.9° |
| H212 | C21 | N22 | H221 | 0.5° | 173.8° |
| H212 | C21 | N22 | H222 | 119.5° | 60.0° |
| O29 | C23 | O28 | HO28 | 0.0° | 0.0° |
| C25 | C24 | C26 | C27 | 114.0° | 120.0° |
| C24 | C25 | H251 | H252 | 120.0° | 119.9° |
| C24 | C25 | H251 | H253 | 120.0° | 120.0° |
| C24 | C25 | H252 | H253 | 120.0° | 120.0° |
| C25 | C24 | C26 | H261 | 60.6° | 60.0° |
| C25 | C24 | C26 | H262 | 59.5° | 180.0° |
| C25 | C24 | C26 | H263 | 179.5° | 60.0° |
| C25 | C24 | C27 | H271 | 149.5° | 60.0° |
| C25 | C24 | C27 | H272 | 90.5° | 180.0° |
| C25 | C24 | C27 | H273 | 29.5° | 60.0° |
| C26 | C24 | C25 | H251 | 108.3° | 60.1° |
| C26 | C24 | C25 | H252 | 11.7° | 180.0° |
| C26 | C24 | C25 | H253 | 131.8° | 60.0° |
| C24 | C26 | H261 | H262 | 120.0° | 120.0° |
| C24 | C26 | H261 | H263 | 120.0° | 120.0° |
| C24 | C26 | H262 | H263 | 120.0° | 120.0° |
| C26 | C24 | C27 | H271 | 94.4° | 180.0° |
| C26 | C24 | C27 | H272 | 25.6° | 60.0° |
| C26 | C24 | C27 | H273 | 145.6° | 60.0° |
| C27 | C24 | C25 | H251 | 4.8° | 180.0° |
| C27 | C24 | C25 | H252 | 124.9° | 60.0° |
| C27 | C24 | C25 | H253 | 115.1° | 60.0° |
| C27 | C24 | C26 | H261 | 174.5° | 60.0° |
| C27 | C24 | C26 | H262 | 54.5° | 60.0° |
| C27 | C24 | C26 | H263 | 65.5° | 180.0° |
| C24 | C27 | H271 | H272 | 120.0° | 120.0° |
| C24 | C27 | H271 | H273 | 120.0° | 120.0° |
| C24 | C27 | H272 | H273 | 120.0° | 120.0° |
| H251 | C25 | H252 | H253 | 119.9° | 120.1° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
