017
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.40Å | 1.37Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| C2 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.82Å | |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| S8 | O9 | doub | 1.42Å | 1.55Å | |
| S8 | O10 | doub | 1.42Å | 1.57Å | |
| S8 | N11 | sing | 1.66Å | 1.76Å | |
| N11 | C12 | sing | 1.46Å | 1.47Å | |
| N11 | C16 | sing | 1.46Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | C15 | sing | 1.53Å | 1.51Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.57Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | O18 | sing | 1.43Å | 1.43Å | |
| C17 | C19 | sing | 1.53Å | 1.55Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| O18 | H18 | sing | 0.97Å | 0.95Å | |
| C19 | N20 | sing | 1.47Å | 1.44Å | |
| C19 | C32 | sing | 1.53Å | 1.54Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N20 | C21 | sing | 1.35Å | 1.36Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å | |
| C21 | O22 | doub | 1.21Å | 1.28Å | |
| C21 | O23 | sing | 1.35Å | 1.43Å | |
| O23 | C24 | sing | 1.45Å | 1.47Å | |
| C24 | C25 | sing | 1.54Å | 1.56Å | |
| C24 | C31 | sing | 1.54Å | 1.54Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | O26 | sing | 1.43Å | 1.45Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| O26 | C27 | sing | 1.44Å | 1.42Å | |
| C27 | O28 | sing | 1.43Å | 1.41Å | |
| C27 | C31 | sing | 1.56Å | 1.46Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| O28 | C29 | sing | 1.43Å | 1.44Å | |
| C29 | C30 | sing | 1.54Å | 1.55Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.55Å | 1.54Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | C38 | sing | 1.51Å | 1.54Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | doub | 1.38Å | 1.42Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | H11 | 109.5° | 120.0° |
| C2 | N1 | H12 | 109.5° | 120.0° |
| N1 | C2 | C3 | 117.1° | 120.1° |
| N1 | C2 | C7 | 122.3° | 120.1° |
| H11 | N1 | H12 | 109.5° | 119.9° |
| C3 | C2 | C7 | 120.5° | 119.8° |
| C2 | C3 | C4 | 117.3° | 119.9° |
| C2 | C3 | H3 | 121.4° | 120.0° |
| C2 | C7 | C6 | 122.4° | 119.9° |
| C2 | C7 | H7 | 118.8° | 120.0° |
| C4 | C3 | H3 | 121.4° | 120.0° |
| C3 | C4 | C5 | 121.3° | 120.0° |
| C3 | C4 | H4 | 119.3° | 120.0° |
| C5 | C4 | H4 | 119.4° | 120.0° |
| C4 | C5 | C6 | 123.4° | 120.2° |
| C4 | C5 | S8 | 115.0° | 119.9° |
| C6 | C5 | S8 | 120.6° | 119.9° |
| C5 | C6 | C7 | 114.8° | 120.1° |
| C5 | C6 | H6 | 122.6° | 120.0° |
| C5 | S8 | O9 | 110.6° | 106.4° |
| C5 | S8 | O10 | 107.2° | 106.4° |
| C5 | S8 | N11 | 110.8° | 107.2° |
| C7 | C6 | H6 | 122.6° | 120.0° |
| C6 | C7 | H7 | 118.8° | 120.0° |
| O9 | S8 | O10 | 116.2° | 123.1° |
| O9 | S8 | N11 | 107.3° | 106.4° |
| O10 | S8 | N11 | 104.7° | 106.4° |
| S8 | N11 | C12 | 115.6° | 120.0° |
| S8 | N11 | C16 | 114.4° | 120.0° |
| C12 | N11 | C16 | 120.3° | 120.0° |
| N11 | C12 | C13 | 113.8° | 109.5° |
| N11 | C12 | H121 | 108.1° | 109.5° |
| N11 | C12 | H122 | 108.1° | 109.5° |
| N11 | C16 | C17 | 108.4° | 109.5° |
| N11 | C16 | H161 | 109.8° | 109.5° |
| N11 | C16 | H162 | 109.8° | 109.5° |
| C13 | C12 | H121 | 108.1° | 109.4° |
| C13 | C12 | H122 | 108.1° | 109.5° |
| C12 | C13 | C14 | 108.0° | 109.5° |
| C12 | C13 | C15 | 104.0° | 109.5° |
| C12 | C13 | H13 | 114.9° | 109.4° |
| H121 | C12 | H122 | 110.9° | 109.5° |
| C14 | C13 | C15 | 112.1° | 109.5° |
| C14 | C13 | H13 | 107.1° | 109.5° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.5° |
| C13 | C14 | H143 | 109.5° | 109.4° |
| C15 | C13 | H13 | 110.9° | 109.4° |
| C13 | C15 | H151 | 109.5° | 109.5° |
| C13 | C15 | H152 | 109.5° | 109.4° |
| C13 | C15 | H153 | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H141 | C14 | H143 | 109.4° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.4° |
| C17 | C16 | H161 | 109.8° | 109.4° |
| C17 | C16 | H162 | 109.8° | 109.4° |
| C16 | C17 | O18 | 108.1° | 109.4° |
| C16 | C17 | C19 | 111.7° | 109.5° |
| C16 | C17 | H17 | 108.7° | 109.5° |
| H161 | C16 | H162 | 109.1° | 109.5° |
| O18 | C17 | C19 | 108.7° | 109.5° |
| O18 | C17 | H17 | 111.7° | 109.4° |
| C17 | O18 | H18 | 109.5° | 114.0° |
| C19 | C17 | H17 | 108.0° | 109.5° |
| C17 | C19 | N20 | 106.9° | 109.5° |
| C17 | C19 | C32 | 115.1° | 109.5° |
| C17 | C19 | H19 | 107.0° | 109.5° |
| N20 | C19 | C32 | 107.9° | 109.5° |
| N20 | C19 | H19 | 114.3° | 109.5° |
| C19 | N20 | C21 | 122.5° | 120.0° |
| C19 | N20 | H20 | 118.8° | 119.9° |
| C32 | C19 | H19 | 105.9° | 109.4° |
| C19 | C32 | C38 | 113.2° | 109.5° |
| C19 | C32 | H321 | 108.3° | 109.4° |
| C19 | C32 | H322 | 108.3° | 109.4° |
| C21 | N20 | H20 | 118.8° | 120.1° |
| N20 | C21 | O22 | 127.2° | 120.0° |
| N20 | C21 | O23 | 109.1° | 120.0° |
| O22 | C21 | O23 | 123.6° | 120.1° |
| C21 | O23 | C24 | 115.6° | 117.0° |
| O23 | C24 | C25 | 103.1° | 110.4° |
| O23 | C24 | C31 | 111.3° | 110.4° |
| O23 | C24 | H24 | 109.4° | 110.3° |
| C25 | C24 | C31 | 98.7° | 104.8° |
| C25 | C24 | H24 | 120.4° | 110.4° |
| C24 | C25 | O26 | 106.6° | 107.4° |
| C24 | C25 | H251 | 110.5° | 109.9° |
| C24 | C25 | H252 | 110.4° | 109.9° |
| C31 | C24 | H24 | 113.2° | 110.5° |
| C24 | C31 | C27 | 104.3° | 102.7° |
| C24 | C31 | C30 | 120.5° | 108.8° |
| C24 | C31 | H31 | 104.4° | 113.8° |
| O26 | C25 | H251 | 110.4° | 109.9° |
| O26 | C25 | H252 | 110.4° | 109.8° |
| C25 | O26 | C27 | 103.5° | 107.9° |
| H251 | C25 | H252 | 108.5° | 110.0° |
| O26 | C27 | O28 | 109.3° | 108.8° |
| O26 | C27 | C31 | 112.6° | 104.0° |
| O26 | C27 | H27 | 107.7° | 112.6° |
| O28 | C27 | C31 | 110.3° | 105.1° |
| O28 | C27 | H27 | 110.2° | 112.5° |
| C27 | O28 | C29 | 105.8° | 110.4° |
| C31 | C27 | H27 | 106.6° | 113.2° |
| C27 | C31 | C30 | 105.0° | 101.2° |
| C27 | C31 | H31 | 120.1° | 114.3° |
| O28 | C29 | C30 | 105.9° | 107.6° |
| O28 | C29 | H291 | 110.6° | 109.8° |
| O28 | C29 | H292 | 110.7° | 109.9° |
| C30 | C29 | H291 | 110.7° | 109.8° |
| C30 | C29 | H292 | 110.7° | 109.8° |
| C29 | C30 | C31 | 98.0° | 102.6° |
| C29 | C30 | H301 | 113.5° | 110.8° |
| C29 | C30 | H302 | 113.5° | 110.8° |
| H291 | C29 | H292 | 108.3° | 109.9° |
| C31 | C30 | H301 | 113.5° | 110.8° |
| C31 | C30 | H302 | 113.5° | 110.8° |
| C30 | C31 | H31 | 103.7° | 114.7° |
| H301 | C30 | H302 | 105.2° | 110.8° |
| C38 | C32 | H321 | 108.3° | 109.5° |
| C38 | C32 | H322 | 108.2° | 109.5° |
| C32 | C38 | C33 | 118.6° | 120.0° |
| C32 | C38 | C37 | 122.2° | 120.0° |
| H321 | C32 | H322 | 110.6° | 109.5° |
| C34 | C33 | C38 | 120.5° | 120.0° |
| C34 | C33 | H33 | 119.8° | 120.0° |
| C33 | C34 | C35 | 119.0° | 120.0° |
| C33 | C34 | H34 | 120.5° | 120.0° |
| C38 | C33 | H33 | 119.7° | 120.0° |
| C33 | C38 | C37 | 118.9° | 120.0° |
| C35 | C34 | H34 | 120.5° | 120.0° |
| C34 | C35 | C36 | 121.2° | 120.0° |
| C34 | C35 | H35 | 119.4° | 120.0° |
| C36 | C35 | H35 | 119.4° | 120.0° |
| C35 | C36 | C37 | 119.5° | 119.9° |
| C35 | C36 | H36 | 120.3° | 120.0° |
| C37 | C36 | H36 | 120.3° | 120.0° |
| C36 | C37 | C38 | 120.7° | 120.0° |
| C36 | C37 | H37 | 119.6° | 119.9° |
| C38 | C37 | H37 | 119.7° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | H11 | H12 | 120.0° | 179.7° |
| N1 | C2 | C3 | C7 | 178.2° | 179.7° |
| N1 | C2 | C3 | C4 | 179.4° | 179.9° |
| N1 | C2 | C3 | H3 | 0.6° | 0.1° |
| N1 | C2 | C7 | C6 | 177.9° | 179.8° |
| N1 | C2 | C7 | H7 | 2.1° | 0.0° |
| H11 | N1 | C2 | C3 | 180.0° | 0.0° |
| H11 | N1 | C2 | C7 | 1.9° | 179.7° |
| H12 | N1 | C2 | C3 | 60.0° | 179.7° |
| H12 | N1 | C2 | C7 | 121.9° | 0.6° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 3.9° | 0.0° |
| C2 | C3 | C4 | H4 | 176.1° | 179.9° |
| C3 | C2 | C7 | C6 | 4.0° | 0.5° |
| C3 | C2 | C7 | H7 | 176.0° | 179.7° |
| C7 | C2 | C3 | C4 | 1.3° | 0.2° |
| C7 | C2 | C3 | H3 | 178.7° | 179.8° |
| C2 | C7 | C6 | C5 | 1.5° | 0.4° |
| C2 | C7 | C6 | H7 | 180.0° | 179.8° |
| C2 | C7 | C6 | H6 | 178.6° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 6.8° | 0.1° |
| C3 | C4 | C5 | S8 | 175.5° | 180.0° |
| H3 | C3 | C4 | C5 | 176.1° | 180.0° |
| H3 | C3 | C4 | H4 | 3.9° | 0.1° |
| C4 | C5 | C6 | S8 | 168.1° | 179.9° |
| C4 | C5 | C6 | C7 | 3.9° | 0.1° |
| C4 | C5 | C6 | H6 | 176.1° | 180.0° |
| C4 | C5 | S8 | O9 | 32.6° | 156.5° |
| C4 | C5 | S8 | O10 | 160.1° | 23.6° |
| C4 | C5 | S8 | N11 | 86.2° | 89.9° |
| H4 | C4 | C5 | C6 | 173.2° | 180.0° |
| H4 | C4 | C5 | S8 | 4.5° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | H7 | 178.5° | 179.7° |
| C6 | C5 | S8 | O9 | 158.3° | 23.5° |
| C6 | C5 | S8 | O10 | 30.8° | 156.5° |
| C6 | C5 | S8 | N11 | 82.8° | 90.0° |
| S8 | C5 | C6 | C7 | 172.0° | 179.8° |
| S8 | C5 | C6 | H6 | 8.0° | 0.1° |
| C5 | S8 | O9 | O10 | 122.4° | 122.9° |
| C5 | S8 | O9 | N11 | 121.0° | 114.1° |
| C5 | S8 | O10 | N11 | 117.8° | 114.1° |
| C5 | S8 | N11 | C12 | 62.5° | 90.0° |
| C5 | S8 | N11 | C16 | 83.8° | 90.0° |
| H6 | C6 | C7 | H7 | 1.4° | 0.1° |
| O9 | S8 | O10 | N11 | 118.1° | 122.9° |
| O9 | S8 | N11 | C12 | 176.7° | 23.5° |
| O9 | S8 | N11 | C16 | 37.1° | 156.4° |
| O10 | S8 | N11 | C12 | 52.7° | 156.4° |
| O10 | S8 | N11 | C16 | 161.0° | 23.5° |
| S8 | N11 | C12 | C16 | 144.1° | 180.0° |
| S8 | N11 | C12 | C13 | 142.3° | 93.4° |
| S8 | N11 | C12 | H121 | 22.3° | 146.6° |
| S8 | N11 | C12 | H122 | 97.7° | 26.6° |
| S8 | N11 | C16 | C17 | 114.4° | 94.1° |
| S8 | N11 | C16 | H161 | 125.6° | 145.9° |
| S8 | N11 | C16 | H162 | 5.6° | 25.9° |
| N11 | C12 | C13 | H121 | 120.0° | 120.0° |
| N11 | C12 | C13 | H122 | 120.0° | 120.0° |
| N11 | C12 | H121 | H122 | 118.2° | 120.0° |
| N11 | C12 | C13 | C14 | 64.5° | 65.3° |
| N11 | C12 | C13 | C15 | 176.2° | 174.7° |
| N11 | C12 | C13 | H13 | 54.9° | 54.7° |
| C12 | N11 | C16 | C17 | 101.1° | 85.9° |
| C12 | N11 | C16 | H161 | 19.0° | 34.1° |
| C12 | N11 | C16 | H162 | 139.0° | 154.1° |
| C16 | N11 | C12 | C13 | 73.6° | 86.6° |
| C16 | N11 | C12 | H121 | 166.4° | 33.4° |
| C16 | N11 | C12 | H122 | 46.4° | 153.4° |
| N11 | C16 | C17 | H161 | 120.0° | 120.0° |
| N11 | C16 | C17 | H162 | 120.0° | 120.0° |
| N11 | C16 | H161 | H162 | 120.4° | 120.0° |
| N11 | C16 | C17 | O18 | 167.5° | 65.0° |
| N11 | C16 | C17 | C19 | 72.9° | 175.0° |
| N11 | C16 | C17 | H17 | 46.2° | 54.9° |
| C13 | C12 | H121 | H122 | 118.2° | 120.0° |
| C12 | C13 | C14 | C15 | 114.0° | 120.0° |
| C12 | C13 | C14 | H13 | 124.2° | 120.0° |
| C12 | C13 | C15 | H13 | 124.0° | 119.9° |
| C12 | C13 | C14 | H141 | 180.0° | 67.5° |
| C12 | C13 | C14 | H142 | 60.0° | 52.5° |
| C12 | C13 | C14 | H143 | 60.0° | 172.5° |
| C12 | C13 | C15 | H151 | 180.0° | 60.0° |
| C12 | C13 | C15 | H152 | 60.0° | 180.0° |
| C12 | C13 | C15 | H153 | 60.0° | 60.1° |
| H121 | C12 | C13 | C14 | 55.5° | 54.7° |
| H121 | C12 | C13 | C15 | 63.8° | 65.3° |
| H121 | C12 | C13 | H13 | 174.9° | 174.7° |
| H122 | C12 | C13 | C14 | 175.5° | 174.7° |
| H122 | C12 | C13 | C15 | 56.2° | 54.7° |
| H122 | C12 | C13 | H13 | 65.1° | 65.3° |
| C14 | C13 | C15 | H13 | 119.7° | 120.1° |
| C13 | C14 | H141 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H143 | 120.0° | 120.0° |
| C13 | C14 | H142 | H143 | 120.0° | 120.0° |
| C14 | C13 | C15 | H151 | 63.6° | 180.0° |
| C14 | C13 | C15 | H152 | 56.4° | 60.0° |
| C14 | C13 | C15 | H153 | 176.3° | 59.9° |
| C15 | C13 | C14 | H141 | 66.0° | 172.6° |
| C15 | C13 | C14 | H142 | 174.0° | 67.5° |
| C15 | C13 | C14 | H143 | 53.9° | 52.5° |
| C13 | C15 | H151 | H152 | 120.0° | 120.0° |
| C13 | C15 | H151 | H153 | 120.0° | 120.0° |
| C13 | C15 | H152 | H153 | 120.0° | 119.9° |
| H13 | C13 | C14 | H141 | 55.8° | 52.5° |
| H13 | C13 | C14 | H142 | 64.2° | 172.5° |
| H13 | C13 | C14 | H143 | 175.8° | 67.5° |
| H13 | C13 | C15 | H151 | 56.0° | 60.0° |
| H13 | C13 | C15 | H152 | 176.0° | 60.1° |
| H13 | C13 | C15 | H153 | 64.0° | NaN° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| C17 | C16 | H161 | H162 | 120.4° | 119.9° |
| C16 | C17 | O18 | C19 | 121.4° | 120.0° |
| C16 | C17 | O18 | H17 | 119.5° | 120.0° |
| C16 | C17 | C19 | H17 | 119.5° | 120.0° |
| C16 | C17 | O18 | H18 | 180.0° | 60.0° |
| C16 | C17 | C19 | N20 | 172.3° | 175.0° |
| C16 | C17 | C19 | C32 | 67.8° | 65.0° |
| C16 | C17 | C19 | H19 | 49.5° | 55.0° |
| H161 | C16 | C17 | O18 | 47.5° | 55.0° |
| H161 | C16 | C17 | C19 | 167.1° | 65.0° |
| H161 | C16 | C17 | H17 | 73.8° | 175.0° |
| H162 | C16 | C17 | O18 | 72.5° | 175.0° |
| H162 | C16 | C17 | C19 | 47.1° | 55.0° |
| H162 | C16 | C17 | H17 | 166.2° | 65.1° |
| O18 | C17 | C19 | H17 | 121.4° | 120.0° |
| O18 | C17 | C19 | N20 | 68.5° | 65.0° |
| O18 | C17 | C19 | C32 | 51.4° | 55.0° |
| O18 | C17 | C19 | H19 | 168.7° | 175.0° |
| C19 | C17 | O18 | H18 | 58.6° | 60.0° |
| C17 | C19 | N20 | C32 | 124.4° | 120.0° |
| C17 | C19 | N20 | H19 | 118.1° | 120.0° |
| C17 | C19 | C32 | H19 | 117.9° | 120.0° |
| C17 | C19 | N20 | C21 | 112.3° | 155.0° |
| C17 | C19 | N20 | H20 | 67.6° | 25.0° |
| C17 | C19 | C32 | C38 | 178.5° | 175.0° |
| C17 | C19 | C32 | H321 | 58.5° | 65.0° |
| C17 | C19 | C32 | H322 | 61.5° | 55.0° |
| H17 | C17 | O18 | H18 | 60.5° | 180.0° |
| H17 | C17 | C19 | N20 | 52.9° | 55.0° |
| H17 | C17 | C19 | C32 | 172.7° | 175.0° |
| H17 | C17 | C19 | H19 | 69.9° | 65.0° |
| N20 | C19 | C32 | H19 | 122.8° | 120.0° |
| C19 | N20 | C21 | H20 | 180.0° | 180.0° |
| C19 | N20 | C21 | O22 | 1.6° | 0.0° |
| C19 | N20 | C21 | O23 | 178.2° | 180.0° |
| N20 | C19 | C32 | C38 | 59.2° | 65.0° |
| N20 | C19 | C32 | H321 | 60.8° | 55.0° |
| N20 | C19 | C32 | H322 | 179.2° | 175.0° |
| C32 | C19 | N20 | C21 | 123.3° | 85.0° |
| C32 | C19 | N20 | H20 | 56.7° | 95.0° |
| C19 | C32 | C38 | H321 | 120.0° | 119.9° |
| C19 | C32 | C38 | H322 | 120.0° | 120.0° |
| C19 | C32 | H321 | H322 | 118.5° | 120.0° |
| C19 | C32 | C38 | C33 | 107.1° | 90.0° |
| C19 | C32 | C38 | C37 | 66.7° | 90.0° |
| H19 | C19 | N20 | C21 | 5.8° | 35.0° |
| H19 | C19 | N20 | H20 | 174.2° | 145.1° |
| H19 | C19 | C32 | C38 | 63.6° | 55.0° |
| H19 | C19 | C32 | H321 | 176.4° | 175.0° |
| H19 | C19 | C32 | H322 | 56.4° | 65.0° |
| N20 | C21 | O22 | O23 | 179.8° | 180.0° |
| N20 | C21 | O23 | C24 | 165.5° | 180.0° |
| H20 | N20 | C21 | O22 | 178.4° | 179.9° |
| H20 | N20 | C21 | O23 | 1.7° | 0.0° |
| O22 | C21 | O23 | C24 | 14.7° | 0.0° |
| C21 | O23 | C24 | C25 | 148.0° | 91.4° |
| C21 | O23 | C24 | C31 | 107.2° | 153.2° |
| C21 | O23 | C24 | H24 | 18.7° | 30.9° |
| O23 | C24 | C25 | C31 | 114.4° | 118.9° |
| O23 | C24 | C25 | H24 | 122.1° | 122.2° |
| O23 | C24 | C31 | H24 | 123.8° | 122.3° |
| O23 | C24 | C25 | O26 | 76.6° | 115.4° |
| O23 | C24 | C25 | H251 | 163.4° | 125.2° |
| O23 | C24 | C25 | H252 | 43.4° | 4.0° |
| O23 | C24 | C31 | C27 | 80.6° | 136.5° |
| O23 | C24 | C31 | C30 | 36.8° | 29.8° |
| O23 | C24 | C31 | H31 | 152.6° | 99.4° |
| C25 | C24 | C31 | H24 | 128.5° | 118.8° |
| C24 | C25 | O26 | H251 | 120.0° | 119.5° |
| C24 | C25 | O26 | H252 | 120.0° | 119.4° |
| C24 | C25 | H251 | H252 | 121.2° | 121.0° |
| C24 | C25 | O26 | C27 | 33.4° | 25.7° |
| C25 | C24 | C31 | C27 | 27.2° | 17.7° |
| C25 | C24 | C31 | C30 | 144.6° | 89.0° |
| C25 | C24 | C31 | H31 | 99.6° | 141.7° |
| C31 | C24 | C25 | O26 | 37.8° | 3.5° |
| C31 | C24 | C25 | H251 | 82.1° | 116.0° |
| C31 | C24 | C25 | H252 | 157.8° | 122.9° |
| C24 | C31 | C27 | O26 | 9.2° | 33.0° |
| C24 | C31 | C27 | O28 | 113.2° | 147.3° |
| C24 | C31 | C27 | C30 | 127.6° | 112.4° |
| C24 | C31 | C27 | H31 | 116.3° | 123.8° |
| C24 | C31 | C27 | H27 | 127.2° | 89.5° |
| C24 | C31 | C30 | C29 | 86.0° | 140.9° |
| C24 | C31 | C30 | H31 | 116.1° | 128.8° |
| C24 | C31 | C30 | H301 | 154.0° | 100.8° |
| C24 | C31 | C30 | H302 | 34.0° | 22.6° |
| H24 | C24 | C25 | O26 | 161.3° | 122.4° |
| H24 | C24 | C25 | H251 | 41.3° | 2.9° |
| H24 | C24 | C25 | H252 | 78.7° | 118.2° |
| H24 | C24 | C31 | C27 | 155.7° | 101.2° |
| H24 | C24 | C31 | C30 | 86.9° | 152.1° |
| H24 | C24 | C31 | H31 | 28.8° | 22.9° |
| O26 | C25 | H251 | H252 | 121.2° | 121.0° |
| C25 | O26 | C27 | O28 | 138.0° | 148.6° |
| C25 | O26 | C27 | C31 | 15.1° | 37.0° |
| C25 | O26 | C27 | H27 | 102.3° | 86.0° |
| H251 | C25 | O26 | C27 | 86.6° | 93.8° |
| H252 | C25 | O26 | C27 | 153.4° | 145.1° |
| O26 | C27 | O28 | C31 | 124.3° | 110.9° |
| O26 | C27 | O28 | H27 | 118.2° | 125.5° |
| O26 | C27 | C31 | H27 | 118.0° | 122.5° |
| O26 | C27 | O28 | C29 | 113.6° | 88.0° |
| O26 | C27 | C31 | C30 | 136.8° | 79.4° |
| O26 | C27 | C31 | H31 | 107.1° | 156.8° |
| O28 | C27 | C31 | H27 | 119.6° | 123.2° |
| C27 | O28 | C29 | C30 | 31.7° | 0.9° |
| C27 | O28 | C29 | H291 | 151.7° | 120.4° |
| C27 | O28 | C29 | H292 | 88.3° | 118.6° |
| O28 | C27 | C31 | C30 | 14.5° | 34.8° |
| O28 | C27 | C31 | H31 | 130.5° | 88.9° |
| C31 | C27 | O28 | C29 | 10.7° | 22.8° |
| C27 | C31 | C30 | C29 | 31.0° | 33.2° |
| C27 | C31 | C30 | H31 | 126.8° | 123.5° |
| C27 | C31 | C30 | H301 | 89.0° | 151.4° |
| C27 | C31 | C30 | H302 | 151.0° | 85.2° |
| H27 | C27 | O28 | C29 | 128.2° | 146.5° |
| H27 | C27 | C31 | C30 | 105.2° | 158.1° |
| H27 | C27 | C31 | H31 | 10.8° | 34.3° |
| O28 | C29 | C30 | H291 | 120.0° | 119.5° |
| O28 | C29 | C30 | H292 | 120.0° | 119.6° |
| O28 | C29 | H291 | H292 | 121.5° | 121.0° |
| O28 | C29 | C30 | C31 | 38.5° | 21.3° |
| O28 | C29 | C30 | H301 | 81.5° | 139.6° |
| O28 | C29 | C30 | H302 | 158.5° | 97.0° |
| C30 | C29 | H291 | H292 | 121.4° | 120.9° |
| C29 | C30 | C31 | H301 | 120.0° | 118.3° |
| C29 | C30 | C31 | H302 | 120.0° | 118.3° |
| C29 | C30 | H301 | H302 | 124.6° | 123.4° |
| C29 | C30 | C31 | H31 | 157.9° | 90.3° |
| H291 | C29 | C30 | C31 | 158.5° | 98.2° |
| H291 | C29 | C30 | H301 | 38.5° | 20.1° |
| H291 | C29 | C30 | H302 | 81.5° | 143.5° |
| H292 | C29 | C30 | C31 | 81.5° | 140.9° |
| H292 | C29 | C30 | H301 | 158.5° | 100.9° |
| H292 | C29 | C30 | H302 | 38.5° | 22.6° |
| C31 | C30 | H301 | H302 | 124.6° | 123.4° |
| H301 | C30 | C31 | H31 | 37.9° | 27.9° |
| H302 | C30 | C31 | H31 | 82.1° | 151.4° |
| C38 | C32 | H321 | H322 | 118.5° | 120.1° |
| C32 | C38 | C33 | C34 | 178.4° | 180.0° |
| C32 | C38 | C33 | C37 | 174.0° | 180.0° |
| C32 | C38 | C33 | H33 | 1.6° | 0.3° |
| C32 | C38 | C37 | C36 | 177.7° | 180.0° |
| C32 | C38 | C37 | H37 | 2.4° | 0.0° |
| H321 | C32 | C38 | C33 | 12.9° | 30.0° |
| H321 | C32 | C38 | C37 | 173.3° | 150.1° |
| H322 | C32 | C38 | C33 | 132.9° | 150.0° |
| H322 | C32 | C38 | C37 | 53.3° | 30.0° |
| C34 | C33 | C38 | H33 | 180.0° | 179.7° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 1.2° | 0.1° |
| C33 | C34 | C35 | H35 | 178.8° | 179.9° |
| C34 | C33 | C38 | C37 | 4.4° | 0.1° |
| C38 | C33 | C34 | C35 | 1.9° | 0.1° |
| C38 | C33 | C34 | H34 | 178.1° | 179.9° |
| C33 | C38 | C37 | C36 | 3.9° | 0.1° |
| C33 | C38 | C37 | H37 | 176.1° | 180.0° |
| H33 | C33 | C34 | C35 | 178.1° | 179.7° |
| H33 | C33 | C34 | H34 | 1.9° | 0.4° |
| H33 | C33 | C38 | C37 | 175.6° | 179.7° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 1.7° | 0.1° |
| C34 | C35 | C36 | H36 | 178.3° | 180.0° |
| H34 | C34 | C35 | C36 | 178.8° | 180.0° |
| H34 | C34 | C35 | H35 | 1.3° | 0.1° |
| C35 | C36 | C37 | H36 | 180.0° | 179.8° |
| C35 | C36 | C37 | C38 | 0.9° | 0.1° |
| C35 | C36 | C37 | H37 | 179.1° | 180.0° |
| H35 | C35 | C36 | C37 | 178.2° | 179.9° |
| H35 | C35 | C36 | H36 | 1.7° | 0.1° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| H36 | C36 | C37 | C38 | 179.1° | 179.9° |
| H36 | C36 | C37 | H37 | 0.9° | 0.1° |
