065
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | O39 | sing | 1.37Å | 1.36Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| O39 | C40 | sing | 1.44Å | 1.38Å | |
| C40 | O41 | sing | 1.44Å | 1.37Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| O41 | C3 | sing | 1.37Å | 1.36Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | S8 | sing | 1.76Å | 1.76Å | |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| S8 | N11 | sing | 1.66Å | 1.65Å | |
| S8 | O9 | doub | 1.42Å | 1.44Å | |
| S8 | O10 | doub | 1.42Å | 1.45Å | |
| N11 | C12 | sing | 1.47Å | 1.45Å | |
| N11 | C16 | sing | 1.47Å | 1.45Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| 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 | 1.54Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | O18 | sing | 1.43Å | 1.45Å | |
| C17 | C19 | sing | 1.53Å | 1.51Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| O18 | H18 | sing | 0.97Å | 0.95Å | |
| C19 | C32 | sing | 1.53Å | 1.52Å | |
| C19 | N20 | sing | 1.46Å | 1.43Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N20 | C21 | sing | 1.35Å | 1.35Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å | |
| C21 | O22 | doub | 1.21Å | 1.23Å | |
| C21 | O23 | sing | 1.35Å | 1.35Å | |
| O23 | C24 | sing | 1.45Å | 1.44Å | |
| C24 | C25 | sing | 1.54Å | 1.51Å | |
| C24 | C31 | sing | 1.54Å | 1.54Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | O26 | sing | 1.43Å | 1.43Å | |
| 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 | 1.42Å | |
| C27 | C31 | sing | 1.56Å | 1.52Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| O28 | C29 | sing | 1.43Å | 1.41Å | |
| 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 | 1.51Å | |
| 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 | 1.51Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | sing | 1.38Å | 1.37Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | sing | 1.38Å | 1.41Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C2 | O39 | 130.3° | 131.5° |
| C7 | C2 | C3 | 121.9° | 119.9° |
| C2 | C7 | C6 | 115.0° | 120.0° |
| C2 | C7 | H7 | 122.5° | 120.0° |
| O39 | C2 | C3 | 107.8° | 108.6° |
| C2 | O39 | C40 | 106.8° | 105.5° |
| C2 | C3 | O41 | 109.1° | 108.7° |
| C2 | C3 | C4 | 122.3° | 119.9° |
| O39 | C40 | O41 | 110.2° | 103.7° |
| O39 | C40 | H401 | 109.2° | 110.6° |
| O39 | C40 | H402 | 109.0° | 110.6° |
| O41 | C40 | H401 | 109.2° | 110.5° |
| O41 | C40 | H402 | 109.1° | 110.5° |
| C40 | O41 | C3 | 105.9° | 105.4° |
| H401 | C40 | H402 | 110.1° | 110.7° |
| O41 | C3 | C4 | 128.6° | 131.5° |
| C3 | C4 | C5 | 115.5° | 120.0° |
| C3 | C4 | H4 | 122.3° | 120.0° |
| C5 | C4 | H4 | 122.2° | 120.0° |
| C4 | C5 | S8 | 118.8° | 119.9° |
| C4 | C5 | C6 | 121.7° | 120.1° |
| S8 | C5 | C6 | 119.0° | 119.9° |
| C5 | S8 | N11 | 109.2° | 107.2° |
| C5 | S8 | O9 | 107.6° | 106.4° |
| C5 | S8 | O10 | 106.9° | 106.4° |
| C5 | C6 | C7 | 123.3° | 120.2° |
| C5 | C6 | H6 | 118.4° | 119.9° |
| C7 | C6 | H6 | 118.3° | 119.9° |
| C6 | C7 | H7 | 122.5° | 120.0° |
| N11 | S8 | O9 | 107.7° | 106.4° |
| N11 | S8 | O10 | 105.4° | 106.4° |
| S8 | N11 | C12 | 116.3° | 120.0° |
| S8 | N11 | C16 | 117.3° | 120.0° |
| O9 | S8 | O10 | 119.7° | 123.2° |
| C12 | N11 | C16 | 116.8° | 120.0° |
| N11 | C12 | C13 | 115.7° | 109.5° |
| N11 | C12 | H121 | 107.5° | 109.4° |
| N11 | C12 | H122 | 106.0° | 109.5° |
| N11 | C16 | C17 | 112.1° | 109.5° |
| N11 | C16 | H161 | 108.6° | 109.5° |
| N11 | C16 | H162 | 108.0° | 109.5° |
| C13 | C12 | H121 | 107.5° | 109.5° |
| C13 | C12 | H122 | 106.0° | 109.5° |
| C12 | C13 | C14 | 110.1° | 109.5° |
| C12 | C13 | C15 | 109.7° | 109.5° |
| C12 | C13 | H13 | 109.3° | 109.5° |
| H121 | C12 | H122 | 114.5° | 109.4° |
| C14 | C13 | C15 | 110.7° | 109.4° |
| C14 | C13 | H13 | 108.3° | 109.5° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.5° |
| C13 | C14 | H143 | 109.4° | 109.5° |
| C15 | C13 | H13 | 108.7° | 109.4° |
| C13 | C15 | H151 | 109.5° | 109.4° |
| C13 | C15 | H152 | 109.4° | 109.5° |
| C13 | C15 | H153 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.4° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H151 | C15 | H153 | 109.4° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| C17 | C16 | H161 | 108.6° | 109.4° |
| C17 | C16 | H162 | 108.0° | 109.5° |
| C16 | C17 | O18 | 108.2° | 109.5° |
| C16 | C17 | C19 | 114.5° | 109.5° |
| C16 | C17 | H17 | 106.8° | 109.5° |
| H161 | C16 | H162 | 111.5° | 109.5° |
| O18 | C17 | C19 | 109.1° | 109.5° |
| O18 | C17 | H17 | 112.5° | 109.4° |
| C17 | O18 | H18 | 109.5° | 114.0° |
| C19 | C17 | H17 | 105.9° | 109.5° |
| C17 | C19 | C32 | 115.7° | 109.5° |
| C17 | C19 | N20 | 109.7° | 109.5° |
| C17 | C19 | H19 | 104.5° | 109.5° |
| C32 | C19 | N20 | 108.4° | 109.5° |
| C32 | C19 | H19 | 106.1° | 109.5° |
| C19 | C32 | C38 | 112.8° | 109.5° |
| C19 | C32 | H321 | 108.4° | 109.5° |
| C19 | C32 | H322 | 107.6° | 109.5° |
| N20 | C19 | H19 | 112.5° | 109.5° |
| C19 | N20 | C21 | 124.5° | 120.0° |
| C19 | N20 | H20 | 117.8° | 120.1° |
| C21 | N20 | H20 | 117.7° | 120.0° |
| N20 | C21 | O22 | 126.5° | 120.0° |
| N20 | C21 | O23 | 110.0° | 120.0° |
| O22 | C21 | O23 | 123.5° | 120.0° |
| C21 | O23 | C24 | 116.8° | 117.0° |
| O23 | C24 | C25 | 107.1° | 110.4° |
| O23 | C24 | C31 | 111.3° | 110.4° |
| O23 | C24 | H24 | 107.5° | 110.3° |
| C25 | C24 | C31 | 101.3° | 104.7° |
| C25 | C24 | H24 | 116.6° | 110.4° |
| C24 | C25 | O26 | 104.2° | 107.4° |
| C24 | C25 | H251 | 111.3° | 109.9° |
| C24 | C25 | H252 | 112.3° | 109.8° |
| C31 | C24 | H24 | 112.8° | 110.5° |
| C24 | C31 | C27 | 103.1° | 102.7° |
| C24 | C31 | C30 | 113.5° | 108.9° |
| C24 | C31 | H31 | 109.9° | 113.9° |
| O26 | C25 | H251 | 111.2° | 109.9° |
| O26 | C25 | H252 | 112.4° | 109.8° |
| C25 | O26 | C27 | 108.1° | 107.9° |
| H251 | C25 | H252 | 105.5° | 110.0° |
| O26 | C27 | O28 | 108.5° | 108.8° |
| O26 | C27 | C31 | 108.0° | 104.0° |
| O26 | C27 | H27 | 110.2° | 112.5° |
| O28 | C27 | C31 | 106.6° | 105.1° |
| O28 | C27 | H27 | 111.4° | 112.6° |
| C27 | O28 | C29 | 112.4° | 110.4° |
| C31 | C27 | H27 | 112.0° | 113.2° |
| C27 | C31 | C30 | 105.9° | 101.2° |
| C27 | C31 | H31 | 117.1° | 114.2° |
| O28 | C29 | C30 | 106.1° | 107.6° |
| O28 | C29 | H291 | 110.6° | 109.8° |
| O28 | C29 | H292 | 111.3° | 109.8° |
| C30 | C29 | H291 | 110.6° | 109.8° |
| C30 | C29 | H292 | 111.3° | 109.9° |
| C29 | C30 | C31 | 103.3° | 102.6° |
| C29 | C30 | H301 | 111.6° | 110.8° |
| C29 | C30 | H302 | 112.9° | 110.8° |
| H291 | C29 | H292 | 106.9° | 109.9° |
| C31 | C30 | H301 | 111.6° | 110.8° |
| C31 | C30 | H302 | 112.9° | 110.7° |
| C30 | C31 | H31 | 107.4° | 114.6° |
| H301 | C30 | H302 | 104.8° | 110.8° |
| C38 | C32 | H321 | 108.4° | 109.5° |
| C38 | C32 | H322 | 107.6° | 109.4° |
| C32 | C38 | C33 | 120.7° | 120.0° |
| C32 | C38 | C37 | 119.3° | 120.0° |
| H321 | C32 | H322 | 112.1° | 109.5° |
| C38 | C33 | C34 | 118.9° | 120.0° |
| C38 | C33 | H33 | 120.5° | 120.0° |
| C33 | C38 | C37 | 120.0° | 120.0° |
| C34 | C33 | H33 | 120.5° | 120.0° |
| C33 | C34 | C35 | 121.9° | 120.0° |
| C33 | C34 | H34 | 119.1° | 120.0° |
| C35 | C34 | H34 | 119.1° | 120.0° |
| C34 | C35 | C36 | 119.8° | 120.0° |
| C34 | C35 | H35 | 120.1° | 120.0° |
| C36 | C35 | H35 | 120.1° | 120.0° |
| C35 | C36 | C37 | 118.8° | 120.0° |
| C35 | C36 | H36 | 120.6° | 120.0° |
| C37 | C36 | H36 | 120.6° | 120.0° |
| C36 | C37 | C38 | 120.5° | 120.0° |
| C36 | C37 | H37 | 119.7° | 120.0° |
| C38 | C37 | H37 | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C2 | O39 | C3 | 179.1° | 179.7° |
| C7 | C2 | O39 | C40 | 177.6° | 162.7° |
| C7 | C2 | C3 | O41 | 175.6° | 179.8° |
| C7 | C2 | C3 | C4 | 3.5° | 0.0° |
| C2 | C7 | C6 | C5 | 7.3° | 0.1° |
| C2 | C7 | C6 | H7 | 180.0° | 179.6° |
| C2 | C7 | C6 | H6 | 172.7° | 180.0° |
| C2 | O39 | C40 | O41 | 1.2° | 27.1° |
| C2 | O39 | C40 | H401 | 121.1° | 91.4° |
| C2 | O39 | C40 | H402 | 118.5° | 145.6° |
| O39 | C2 | C3 | O41 | 3.6° | 0.5° |
| O39 | C2 | C3 | C4 | 177.3° | 179.8° |
| O39 | C2 | C7 | C6 | 174.7° | 179.6° |
| O39 | C2 | C7 | H7 | 5.3° | 0.0° |
| C3 | C2 | O39 | C40 | 1.5° | 17.0° |
| C2 | C3 | O41 | C40 | 4.2° | 17.7° |
| C2 | C3 | O41 | C4 | 178.9° | 179.8° |
| C2 | C3 | C4 | C5 | 1.0° | 0.0° |
| C2 | C3 | C4 | H4 | 179.0° | 180.0° |
| C3 | C2 | C7 | C6 | 6.3° | 0.1° |
| C3 | C2 | C7 | H7 | 173.7° | 179.7° |
| O39 | C40 | O41 | H401 | 120.0° | 118.6° |
| O39 | C40 | O41 | H402 | 119.7° | 118.5° |
| O39 | C40 | H401 | H402 | 119.7° | 122.9° |
| O39 | C40 | O41 | C3 | 3.4° | 27.4° |
| O41 | C40 | H401 | H402 | 119.7° | 122.8° |
| C40 | O41 | C3 | C4 | 176.8° | 162.5° |
| H401 | C40 | O41 | C3 | 123.4° | 91.2° |
| H402 | C40 | O41 | C3 | 116.3° | 145.9° |
| O41 | C3 | C4 | C5 | 177.9° | 179.7° |
| O41 | C3 | C4 | H4 | 2.2° | 0.3° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | S8 | 173.3° | 179.9° |
| C3 | C4 | C5 | C6 | 1.9° | 0.0° |
| C4 | C5 | S8 | C6 | 171.6° | 179.9° |
| C4 | C5 | C6 | C7 | 5.4° | 0.1° |
| C4 | C5 | C6 | H6 | 174.6° | 180.0° |
| C4 | C5 | S8 | N11 | 90.6° | 90.0° |
| C4 | C5 | S8 | O9 | 152.8° | 156.4° |
| C4 | C5 | S8 | O10 | 23.0° | 23.5° |
| H4 | C4 | C5 | S8 | 6.7° | 0.1° |
| H4 | C4 | C5 | C6 | 178.1° | 180.0° |
| S8 | C5 | C6 | C7 | 176.8° | 180.0° |
| S8 | C5 | C6 | H6 | 3.2° | 0.1° |
| C5 | S8 | N11 | O9 | 116.6° | 113.6° |
| C5 | S8 | N11 | O10 | 114.5° | 113.5° |
| C5 | S8 | O9 | O10 | 122.2° | 122.9° |
| C5 | S8 | N11 | C12 | 59.5° | 90.0° |
| C5 | S8 | N11 | C16 | 85.8° | 90.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | H7 | 172.7° | 179.7° |
| C6 | C5 | S8 | N11 | 81.1° | 90.1° |
| C6 | C5 | S8 | O9 | 35.6° | 23.5° |
| C6 | C5 | S8 | O10 | 165.4° | 156.4° |
| H6 | C6 | C7 | H7 | 7.3° | 0.4° |
| N11 | S8 | O9 | O10 | 120.2° | 123.0° |
| S8 | N11 | C12 | C16 | 145.5° | 180.0° |
| S8 | N11 | C12 | C13 | 141.1° | 95.0° |
| S8 | N11 | C12 | H121 | 21.1° | 145.0° |
| S8 | N11 | C12 | H122 | 101.8° | 25.0° |
| S8 | N11 | C16 | C17 | 112.6° | 95.0° |
| S8 | N11 | C16 | H161 | 127.4° | 145.0° |
| S8 | N11 | C16 | H162 | 6.3° | 25.0° |
| O9 | S8 | N11 | C12 | 176.1° | 23.5° |
| O9 | S8 | N11 | C16 | 30.7° | 156.5° |
| O10 | S8 | N11 | C12 | 55.0° | 156.5° |
| O10 | S8 | N11 | C16 | 159.6° | 23.5° |
| N11 | C12 | C13 | H121 | 120.0° | 120.0° |
| N11 | C12 | C13 | H122 | 117.2° | 120.0° |
| N11 | C12 | H121 | H122 | 117.4° | 120.0° |
| N11 | C12 | C13 | C14 | 62.8° | 175.0° |
| N11 | C12 | C13 | C15 | 175.0° | 65.0° |
| N11 | C12 | C13 | H13 | 56.0° | 55.0° |
| C12 | N11 | C16 | C17 | 102.3° | 85.0° |
| C12 | N11 | C16 | H161 | 17.7° | 34.9° |
| C12 | N11 | C16 | H162 | 138.9° | 155.0° |
| C16 | N11 | C12 | C13 | 73.4° | 85.0° |
| C16 | N11 | C12 | H121 | 166.6° | 35.1° |
| C16 | N11 | C12 | H122 | 43.8° | 155.0° |
| N11 | C16 | C17 | H161 | 120.0° | 120.0° |
| N11 | C16 | C17 | H162 | 118.9° | 120.0° |
| N11 | C16 | H161 | H162 | 118.9° | 120.0° |
| N11 | C16 | C17 | O18 | 167.7° | 65.0° |
| N11 | C16 | C17 | C19 | 70.5° | 175.0° |
| N11 | C16 | C17 | H17 | 46.3° | 55.0° |
| C13 | C12 | H121 | H122 | 117.5° | 120.0° |
| C12 | C13 | C14 | C15 | 121.6° | 120.0° |
| C12 | C13 | C14 | H13 | 119.4° | 120.1° |
| C12 | C13 | C15 | H13 | 119.4° | 120.0° |
| C12 | C13 | C14 | H141 | 13.7° | 59.9° |
| C12 | C13 | C14 | H142 | 106.3° | 180.0° |
| C12 | C13 | C14 | H143 | 133.7° | 60.0° |
| C12 | C13 | C15 | H151 | 100.3° | 60.0° |
| C12 | C13 | C15 | H152 | 139.7° | 59.9° |
| C12 | C13 | C15 | H153 | 19.6° | 180.0° |
| H121 | C12 | C13 | C14 | 57.2° | 55.0° |
| H121 | C12 | C13 | C15 | 64.9° | 175.0° |
| H121 | C12 | C13 | H13 | 176.0° | 65.0° |
| H122 | C12 | C13 | C14 | 180.0° | 65.0° |
| H122 | C12 | C13 | C15 | 57.9° | 55.0° |
| H122 | C12 | C13 | H13 | 61.2° | 175.0° |
| C14 | C13 | C15 | H13 | 118.8° | 119.9° |
| 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 | 137.9° | 60.0° |
| C14 | C13 | C15 | H152 | 17.9° | 180.0° |
| C14 | C13 | C15 | H153 | 102.1° | 60.0° |
| C15 | C13 | C14 | H141 | 135.2° | 60.1° |
| C15 | C13 | C14 | H142 | 15.2° | 60.0° |
| C15 | C13 | C14 | H143 | 104.8° | 180.0° |
| C13 | C15 | H151 | H152 | 120.0° | 120.0° |
| C13 | C15 | H151 | H153 | 120.0° | 120.0° |
| C13 | C15 | H152 | H153 | 120.0° | 120.1° |
| H13 | C13 | C14 | H141 | 105.7° | 180.0° |
| H13 | C13 | C14 | H142 | 134.3° | 59.9° |
| H13 | C13 | C14 | H143 | 14.3° | 60.1° |
| H13 | C13 | C15 | H151 | 19.1° | 180.0° |
| H13 | C13 | C15 | H152 | 100.9° | 60.1° |
| H13 | C13 | C15 | H153 | 139.1° | 60.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| C17 | C16 | H161 | H162 | 118.9° | 120.0° |
| C16 | C17 | O18 | C19 | 125.1° | 120.0° |
| C16 | C17 | O18 | H17 | 117.7° | 120.0° |
| C16 | C17 | C19 | H17 | 117.4° | 120.0° |
| C16 | C17 | O18 | H18 | 143.3° | 60.0° |
| C16 | C17 | C19 | C32 | 68.2° | 65.0° |
| C16 | C17 | C19 | N20 | 168.9° | 175.0° |
| C16 | C17 | C19 | H19 | 48.1° | 55.0° |
| H161 | C16 | C17 | O18 | 47.6° | 55.0° |
| H161 | C16 | C17 | C19 | 169.5° | 65.0° |
| H161 | C16 | C17 | H17 | 73.7° | 175.0° |
| H162 | C16 | C17 | O18 | 73.5° | 175.0° |
| H162 | C16 | C17 | C19 | 48.3° | 55.0° |
| H162 | C16 | C17 | H17 | 165.2° | 65.0° |
| O18 | C17 | C19 | H17 | 121.3° | 119.9° |
| O18 | C17 | C19 | C32 | 53.2° | 55.0° |
| O18 | C17 | C19 | N20 | 69.8° | 65.0° |
| O18 | C17 | C19 | H19 | 169.4° | 175.0° |
| C19 | C17 | O18 | H18 | 18.2° | 60.0° |
| C17 | C19 | C32 | N20 | 123.7° | 120.0° |
| C17 | C19 | C32 | H19 | 115.4° | 120.0° |
| C17 | C19 | N20 | H19 | 115.9° | 120.0° |
| C17 | C19 | N20 | C21 | 106.8° | 155.1° |
| C17 | C19 | N20 | H20 | 73.2° | 25.0° |
| C17 | C19 | C32 | C38 | 179.6° | 175.0° |
| C17 | C19 | C32 | H321 | 59.6° | 65.0° |
| C17 | C19 | C32 | H322 | 61.9° | 55.0° |
| H17 | C17 | O18 | H18 | 99.0° | 180.0° |
| H17 | C17 | C19 | C32 | 174.5° | 175.0° |
| H17 | C17 | C19 | N20 | 51.5° | 55.0° |
| H17 | C17 | C19 | H19 | 69.3° | 65.0° |
| C32 | C19 | N20 | H19 | 116.9° | 120.0° |
| C32 | C19 | N20 | C21 | 126.0° | 85.0° |
| C32 | C19 | N20 | H20 | 54.0° | 95.0° |
| C19 | C32 | C38 | H321 | 120.0° | 120.0° |
| C19 | C32 | C38 | H322 | 118.6° | 120.0° |
| C19 | C32 | H321 | H322 | 118.6° | 120.0° |
| C19 | C32 | C38 | C33 | 114.4° | 90.0° |
| C19 | C32 | C38 | C37 | 63.3° | 90.0° |
| C19 | N20 | C21 | H20 | 180.0° | 179.9° |
| C19 | N20 | C21 | O22 | 0.5° | 0.1° |
| C19 | N20 | C21 | O23 | 178.0° | 180.0° |
| N20 | C19 | C32 | C38 | 55.9° | 65.0° |
| N20 | C19 | C32 | H321 | 64.1° | 55.0° |
| N20 | C19 | C32 | H322 | 174.4° | 175.0° |
| H19 | C19 | N20 | C21 | 9.1° | 35.1° |
| H19 | C19 | N20 | H20 | 170.9° | 145.0° |
| H19 | C19 | C32 | C38 | 65.1° | 55.0° |
| H19 | C19 | C32 | H321 | 174.9° | 175.0° |
| H19 | C19 | C32 | H322 | 53.5° | 65.0° |
| N20 | C21 | O22 | O23 | 178.3° | 179.9° |
| N20 | C21 | O23 | C24 | 168.3° | 180.0° |
| H20 | N20 | C21 | O22 | 179.6° | 180.0° |
| H20 | N20 | C21 | O23 | 2.0° | 0.1° |
| O22 | C21 | O23 | C24 | 13.1° | 0.0° |
| C21 | O23 | C24 | C25 | 144.4° | 91.5° |
| C21 | O23 | C24 | C31 | 105.7° | 153.2° |
| C21 | O23 | C24 | H24 | 18.3° | 30.8° |
| O23 | C24 | C25 | C31 | 116.7° | 118.8° |
| O23 | C24 | C25 | H24 | 120.4° | 122.3° |
| O23 | C24 | C31 | H24 | 121.0° | 122.3° |
| O23 | C24 | C25 | O26 | 77.7° | 115.3° |
| O23 | C24 | C25 | H251 | 162.4° | 125.2° |
| O23 | C24 | C25 | H252 | 44.3° | 4.1° |
| O23 | C24 | C31 | C27 | 83.7° | 136.5° |
| O23 | C24 | C31 | C30 | 30.4° | 29.8° |
| O23 | C24 | C31 | H31 | 150.7° | 99.5° |
| C25 | C24 | C31 | H24 | 125.4° | 118.9° |
| C24 | C25 | O26 | H251 | 120.0° | 119.5° |
| C24 | C25 | O26 | H252 | 121.9° | 119.4° |
| C24 | C25 | H251 | H252 | 122.1° | 121.0° |
| C24 | C25 | O26 | C27 | 33.8° | 25.7° |
| C25 | C24 | C31 | C27 | 29.9° | 17.7° |
| C25 | C24 | C31 | C30 | 144.0° | 89.0° |
| C25 | C24 | C31 | H31 | 95.7° | 141.7° |
| C31 | C24 | C25 | O26 | 39.1° | 3.5° |
| C31 | C24 | C25 | H251 | 80.9° | 116.0° |
| C31 | C24 | C25 | H252 | 161.0° | 122.9° |
| C24 | C31 | C27 | O26 | 11.0° | 33.0° |
| C24 | C31 | C27 | O28 | 105.4° | 147.3° |
| C24 | C31 | C27 | C30 | 119.5° | 112.5° |
| C24 | C31 | C27 | H31 | 120.8° | 123.8° |
| C24 | C31 | C27 | H27 | 132.5° | 89.4° |
| C24 | C31 | C30 | C29 | 90.1° | 140.9° |
| C24 | C31 | C30 | H31 | 121.7° | 128.8° |
| C24 | C31 | C30 | H301 | 149.9° | 100.8° |
| C24 | C31 | C30 | H302 | 32.2° | 22.6° |
| H24 | C24 | C25 | O26 | 161.9° | 122.4° |
| H24 | C24 | C25 | H251 | 41.9° | 2.9° |
| H24 | C24 | C25 | H252 | 76.1° | 118.2° |
| H24 | C24 | C31 | C27 | 155.3° | 101.2° |
| H24 | C24 | C31 | C30 | 90.6° | 152.1° |
| H24 | C24 | C31 | H31 | 29.7° | 22.8° |
| O26 | C25 | H251 | H252 | 122.1° | 121.0° |
| C25 | O26 | C27 | O28 | 129.1° | 148.6° |
| C25 | O26 | C27 | C31 | 13.9° | 37.0° |
| C25 | O26 | C27 | H27 | 108.6° | 85.9° |
| H251 | C25 | O26 | C27 | 86.3° | 93.8° |
| H252 | C25 | O26 | C27 | 155.7° | 145.1° |
| O26 | C27 | O28 | C31 | 116.1° | 110.9° |
| O26 | C27 | O28 | H27 | 121.5° | 125.5° |
| O26 | C27 | C31 | H27 | 121.4° | 122.4° |
| O26 | C27 | O28 | C29 | 115.0° | 88.0° |
| O26 | C27 | C31 | C30 | 130.6° | 79.5° |
| O26 | C27 | C31 | H31 | 109.8° | 156.8° |
| O28 | C27 | C31 | H27 | 122.1° | 123.3° |
| C27 | O28 | C29 | C30 | 15.5° | 1.0° |
| C27 | O28 | C29 | H291 | 135.5° | 120.5° |
| C27 | O28 | C29 | H292 | 105.8° | 118.6° |
| O28 | C27 | C31 | C30 | 14.1° | 34.8° |
| O28 | C27 | C31 | H31 | 133.8° | 88.9° |
| C31 | C27 | O28 | C29 | 1.1° | 22.8° |
| C27 | C31 | C30 | C29 | 22.3° | 33.1° |
| C27 | C31 | C30 | H31 | 125.8° | 123.4° |
| C27 | C31 | C30 | H301 | 97.7° | 151.4° |
| C27 | C31 | C30 | H302 | 144.6° | 85.2° |
| H27 | C27 | O28 | C29 | 123.5° | 146.5° |
| H27 | C27 | C31 | C30 | 108.0° | 158.1° |
| H27 | C27 | C31 | H31 | 11.6° | 34.4° |
| O28 | C29 | C30 | H291 | 120.0° | 119.5° |
| O28 | C29 | C30 | H292 | 121.3° | 119.6° |
| O28 | C29 | H291 | H292 | 121.3° | 120.9° |
| O28 | C29 | C30 | C31 | 23.2° | 21.2° |
| O28 | C29 | C30 | H301 | 96.8° | 139.6° |
| O28 | C29 | C30 | H302 | 145.5° | 97.0° |
| C30 | C29 | H291 | H292 | 121.4° | 120.9° |
| C29 | C30 | C31 | H301 | 120.0° | 118.3° |
| C29 | C30 | C31 | H302 | 122.2° | 118.3° |
| C29 | C30 | H301 | H302 | 122.5° | 123.4° |
| C29 | C30 | C31 | H31 | 148.2° | 90.3° |
| H291 | C29 | C30 | C31 | 143.2° | 98.3° |
| H291 | C29 | C30 | H301 | 23.2° | 20.1° |
| H291 | C29 | C30 | H302 | 94.5° | 143.5° |
| H292 | C29 | C30 | C31 | 98.0° | 140.8° |
| H292 | C29 | C30 | H301 | 142.0° | 100.9° |
| H292 | C29 | C30 | H302 | 24.2° | 22.6° |
| C31 | C30 | H301 | H302 | 122.5° | 123.4° |
| H301 | C30 | C31 | H31 | 28.2° | 28.0° |
| H302 | C30 | C31 | H31 | 89.6° | 151.4° |
| C38 | C32 | H321 | H322 | 118.6° | 120.0° |
| C32 | C38 | C33 | C37 | 177.6° | 180.0° |
| C32 | C38 | C33 | C34 | 176.7° | 180.0° |
| C32 | C38 | C33 | H33 | 3.3° | 0.3° |
| C32 | C38 | C37 | C36 | 177.7° | 180.0° |
| C32 | C38 | C37 | H37 | 2.3° | 0.0° |
| H321 | C32 | C38 | C33 | 5.7° | 30.0° |
| H321 | C32 | C38 | C37 | 176.7° | 150.0° |
| H322 | C32 | C38 | C33 | 127.1° | 150.0° |
| H322 | C32 | C38 | C37 | 55.3° | 30.0° |
| C38 | C33 | C34 | H33 | 180.0° | 179.7° |
| C38 | C33 | C34 | C35 | 3.3° | 0.0° |
| C38 | C33 | C34 | H34 | 176.7° | 180.0° |
| C33 | C38 | C37 | C36 | 0.1° | 0.0° |
| C33 | C38 | C37 | H37 | 179.9° | 180.0° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 4.6° | 0.1° |
| C33 | C34 | C35 | H35 | 175.4° | 180.0° |
| C34 | C33 | C38 | C37 | 0.9° | 0.0° |
| H33 | C33 | C34 | C35 | 176.7° | 179.7° |
| H33 | C33 | C34 | H34 | 3.3° | 0.3° |
| H33 | C33 | C38 | C37 | 179.1° | 179.7° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 3.5° | 0.1° |
| C34 | C35 | C36 | H36 | 176.5° | 179.9° |
| H34 | C34 | C35 | C36 | 175.4° | 180.0° |
| H34 | C34 | C35 | H35 | 4.6° | 0.0° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 1.2° | 0.0° |
| C35 | C36 | C37 | H37 | 178.8° | 179.9° |
| H35 | C35 | C36 | C37 | 176.5° | 180.0° |
| H35 | C35 | C36 | H36 | 3.5° | 0.1° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| H36 | C36 | C37 | C38 | 178.8° | 179.9° |
| H36 | C36 | C37 | H37 | 1.2° | 0.1° |
