VAY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | C1 | sing | 1.43Å | 1.42Å | |
| O35 | S34 | doub | 1.42Å | 1.47Å | |
| O33 | S34 | sing | 1.52Å | 1.50Å | |
| O33 | C6 | sing | 1.43Å | 1.39Å | |
| S34 | O36 | doub | 1.42Å | 1.47Å | |
| S34 | N37 | sing | 1.66Å | 1.69Å | |
| C1 | C5 | sing | 1.54Å | 1.57Å | |
| C1 | C2 | sing | 1.54Å | 1.57Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.55Å | 1.58Å | |
| O32 | C2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.54Å | 1.56Å | |
| C3 | C4 | sing | 1.55Å | 1.57Å | |
| C3 | N7 | sing | 1.47Å | 1.52Å | |
| N9 | C10 | doub | 1.32Å | 1.34Å | Aromatic |
| N9 | C8 | sing | 1.33Å | 1.35Å | Aromatic |
| C10 | N11 | sing | 1.32Å | 1.35Å | Aromatic |
| N7 | C8 | sing | 1.38Å | 1.35Å | |
| C8 | C13 | doub | 1.41Å | 1.42Å | Aromatic |
| N11 | C12 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.46Å | |
| BR28 | C24 | sing | 1.89Å | 1.89Å | |
| C14 | O16 | doub | 1.22Å | 1.23Å | |
| C14 | C15 | sing | 1.46Å | 1.54Å | |
| C24 | N23 | doub | 1.32Å | 1.34Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C20 | doub | 1.37Å | 1.36Å | Aromatic |
| C15 | S17 | sing | 1.76Å | 1.68Å | Aromatic |
| C20 | C19 | sing | 1.37Å | 1.40Å | Aromatic |
| N23 | C22 | sing | 1.32Å | 1.33Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| O30 | C21 | sing | 1.43Å | 1.38Å | |
| C19 | C21 | sing | 1.51Å | 1.64Å | |
| C19 | C18 | doub | 1.34Å | 1.36Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C22 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| S17 | C18 | sing | 1.71Å | 1.73Å | Aromatic |
| C21 | C29 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C26 | H8 | sing | 1.08Å | 1.08Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C25 | H10 | sing | 1.08Å | 1.08Å | |
| O30 | H11 | sing | 0.97Å | 0.95Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| N7 | H17 | sing | 0.97Å | 1.00Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| O32 | H20 | sing | 0.97Å | 0.95Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| O31 | H22 | sing | 0.97Å | 0.95Å | |
| N37 | H23 | sing | 0.97Å | 1.00Å | |
| N37 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | C1 | C5 | 103.8° | 110.0° |
| O31 | C1 | C2 | 114.1° | 110.2° |
| O31 | C1 | H21 | 112.1° | 110.1° |
| C1 | O31 | H22 | 109.5° | 114.0° |
| O35 | S34 | O33 | 106.7° | 106.4° |
| O35 | S34 | O36 | 114.2° | 123.1° |
| O35 | S34 | N37 | 109.5° | 106.4° |
| S34 | O33 | C6 | 119.8° | 114.0° |
| O33 | S34 | O36 | 106.8° | 106.4° |
| O33 | S34 | N37 | 108.8° | 107.2° |
| O33 | C6 | C5 | 113.3° | 109.5° |
| O33 | C6 | H4 | 108.5° | 109.5° |
| O33 | C6 | H5 | 108.5° | 109.5° |
| O36 | S34 | N37 | 110.6° | 106.4° |
| S34 | N37 | H23 | 109.5° | 120.0° |
| S34 | N37 | H24 | 109.5° | 120.0° |
| C5 | C1 | C2 | 106.6° | 106.5° |
| C1 | C5 | C6 | 109.2° | 110.5° |
| C1 | C5 | C4 | 103.0° | 104.2° |
| C1 | C5 | H3 | 112.4° | 110.6° |
| C5 | C1 | H21 | 110.0° | 110.0° |
| C1 | C2 | O32 | 108.0° | 110.2° |
| C1 | C2 | C3 | 104.4° | 106.6° |
| C1 | C2 | H19 | 110.9° | 110.0° |
| C2 | C1 | H21 | 109.9° | 110.0° |
| C6 | C5 | C4 | 106.4° | 110.5° |
| C6 | C5 | H3 | 112.9° | 110.4° |
| C5 | C6 | H4 | 108.5° | 109.5° |
| C5 | C6 | H5 | 108.5° | 109.4° |
| C5 | C4 | C3 | 103.9° | 102.9° |
| C5 | C4 | H1 | 110.9° | 110.8° |
| C5 | C4 | H2 | 110.8° | 110.7° |
| C4 | C5 | H3 | 112.2° | 110.5° |
| O32 | C2 | C3 | 108.8° | 110.0° |
| O32 | C2 | H19 | 113.2° | 110.0° |
| C2 | O32 | H20 | 109.5° | 113.9° |
| C2 | C3 | C4 | 99.5° | 104.2° |
| C2 | C3 | N7 | 111.6° | 110.5° |
| C2 | C3 | H18 | 110.5° | 110.6° |
| C3 | C2 | H19 | 111.1° | 110.1° |
| C4 | C3 | N7 | 113.3° | 110.5° |
| C3 | C4 | H1 | 110.8° | 110.8° |
| C3 | C4 | H2 | 110.8° | 110.8° |
| C4 | C3 | H18 | 110.4° | 110.5° |
| C3 | N7 | C8 | 124.6° | 120.0° |
| C3 | N7 | H17 | 105.6° | 120.0° |
| N7 | C3 | H18 | 111.0° | 110.5° |
| C10 | N9 | C8 | 121.5° | 120.8° |
| N9 | C10 | N11 | 122.2° | 122.2° |
| N9 | C10 | H6 | 118.9° | 118.9° |
| N9 | C8 | N7 | 123.1° | 120.6° |
| N9 | C8 | C13 | 115.8° | 118.7° |
| C10 | N11 | C12 | 121.0° | 121.2° |
| N11 | C10 | H6 | 118.9° | 118.9° |
| N7 | C8 | C13 | 121.2° | 120.6° |
| C8 | N7 | H17 | 105.6° | 120.1° |
| C8 | C13 | C12 | 122.6° | 118.0° |
| C8 | C13 | C14 | 119.2° | 121.0° |
| N11 | C12 | C13 | 117.0° | 119.0° |
| N11 | C12 | H16 | 121.5° | 120.5° |
| C12 | C13 | C14 | 118.1° | 121.0° |
| C13 | C12 | H16 | 121.5° | 120.5° |
| C13 | C14 | O16 | 117.5° | 120.0° |
| C13 | C14 | C15 | 123.7° | 120.0° |
| BR28 | C24 | N23 | 117.5° | 119.7° |
| BR28 | C24 | C25 | 121.0° | 119.6° |
| O16 | C14 | C15 | 118.6° | 120.0° |
| C14 | C15 | C20 | 133.9° | 125.5° |
| C14 | C15 | S17 | 114.9° | 125.5° |
| N23 | C24 | C25 | 121.5° | 120.7° |
| C24 | N23 | C22 | 120.0° | 121.7° |
| C24 | C25 | C26 | 119.7° | 119.2° |
| C24 | C25 | H10 | 120.2° | 120.4° |
| C20 | C15 | S17 | 111.0° | 109.1° |
| C15 | C20 | C19 | 113.7° | 113.3° |
| C15 | C20 | H7 | 123.1° | 123.3° |
| C15 | S17 | C18 | 92.9° | 91.6° |
| C20 | C19 | C21 | 125.8° | 122.4° |
| C20 | C19 | C18 | 112.8° | 115.1° |
| C19 | C20 | H7 | 123.2° | 123.4° |
| N23 | C22 | C21 | 116.6° | 119.6° |
| N23 | C22 | C27 | 121.2° | 120.8° |
| C25 | C26 | C27 | 117.7° | 118.4° |
| C25 | C26 | H8 | 121.2° | 120.8° |
| C26 | C25 | H10 | 120.1° | 120.4° |
| O30 | C21 | C19 | 88.2° | 109.5° |
| O30 | C21 | C22 | 122.1° | 109.5° |
| O30 | C21 | C29 | 120.0° | 109.5° |
| C21 | O30 | H11 | 109.5° | 114.0° |
| C21 | C19 | C18 | 121.4° | 122.5° |
| C19 | C21 | C22 | 90.5° | 109.5° |
| C19 | C21 | C29 | 98.2° | 109.5° |
| C19 | C18 | S17 | 109.5° | 111.0° |
| C19 | C18 | H15 | 125.2° | 124.5° |
| C21 | C22 | C27 | 122.2° | 119.6° |
| C22 | C21 | C29 | 117.4° | 109.4° |
| C22 | C27 | C26 | 119.9° | 119.2° |
| C22 | C27 | H9 | 120.1° | 120.4° |
| S17 | C18 | H15 | 125.2° | 124.5° |
| C21 | C29 | H12 | 109.5° | 109.4° |
| C21 | C29 | H13 | 109.5° | 109.4° |
| C21 | C29 | H14 | 109.4° | 109.5° |
| C27 | C26 | H8 | 121.1° | 120.8° |
| C26 | C27 | H9 | 120.0° | 120.4° |
| H1 | C4 | H2 | 109.5° | 110.7° |
| H4 | C6 | H5 | 109.5° | 109.4° |
| H12 | C29 | H13 | 109.5° | 109.5° |
| H12 | C29 | H14 | 109.5° | 109.5° |
| H13 | C29 | H14 | 109.4° | 109.5° |
| H23 | N37 | H24 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | C1 | C5 | C2 | 120.8° | 119.4° |
| O31 | C1 | C5 | H21 | 120.1° | 121.4° |
| O31 | C1 | C2 | H21 | 126.9° | 121.5° |
| O31 | C1 | C5 | C6 | 119.8° | 98.4° |
| O31 | C1 | C5 | C4 | 127.4° | 142.9° |
| O31 | C1 | C2 | O32 | 24.3° | 0.0° |
| O31 | C1 | C2 | C3 | 91.4° | 119.3° |
| O31 | C1 | C5 | H3 | 6.4° | 24.1° |
| O31 | C1 | C2 | H19 | 148.8° | 121.5° |
| O35 | S34 | O33 | O36 | 122.5° | 132.9° |
| O35 | S34 | O33 | N37 | 118.1° | 113.6° |
| O35 | S34 | O33 | C6 | 173.8° | 171.4° |
| O35 | S34 | O36 | N37 | 124.1° | 123.0° |
| O35 | S34 | N37 | H23 | 180.0° | 113.5° |
| O35 | S34 | N37 | H24 | 60.0° | 66.5° |
| O33 | S34 | O36 | N37 | 118.2° | 114.1° |
| S34 | O33 | C6 | C5 | 150.0° | 180.0° |
| S34 | O33 | C6 | H4 | 89.4° | 60.0° |
| S34 | O33 | C6 | H5 | 29.4° | 60.0° |
| O33 | S34 | N37 | H23 | 63.7° | 0.0° |
| O33 | S34 | N37 | H24 | 56.4° | 180.0° |
| C6 | O33 | S34 | O36 | 63.6° | 38.6° |
| C6 | O33 | S34 | N37 | 55.7° | 75.0° |
| O33 | C6 | C5 | C1 | 66.7° | 178.7° |
| O33 | C6 | C5 | H4 | 120.6° | 120.1° |
| O33 | C6 | C5 | H5 | 120.6° | 120.1° |
| O33 | C6 | C5 | C4 | 177.2° | 66.4° |
| O33 | C6 | C5 | H3 | 59.2° | 56.1° |
| O33 | C6 | H4 | H5 | 118.3° | 120.0° |
| O36 | S34 | N37 | H23 | 53.3° | 113.6° |
| O36 | S34 | N37 | H24 | 173.3° | 66.4° |
| S34 | N37 | H23 | H24 | 120.0° | 180.0° |
| C5 | C1 | C2 | H21 | 119.1° | 119.1° |
| C1 | C5 | C6 | C4 | 110.5° | 114.8° |
| C1 | C5 | C6 | H3 | 125.9° | 122.6° |
| C1 | C5 | C4 | H3 | 121.1° | 118.8° |
| C5 | C1 | C2 | O32 | 138.2° | 119.3° |
| C5 | C1 | C2 | C3 | 22.5° | 0.1° |
| C1 | C5 | C4 | C3 | 33.4° | 37.8° |
| C1 | C5 | C4 | H1 | 152.5° | 156.3° |
| C1 | C5 | C4 | H2 | 85.7° | 80.6° |
| C1 | C5 | C6 | H4 | 172.8° | 58.7° |
| C1 | C5 | C6 | H5 | 53.9° | 61.2° |
| C5 | C1 | C2 | H19 | 97.2° | 119.2° |
| C5 | C1 | O31 | H22 | 180.0° | 180.0° |
| C2 | C1 | C5 | C6 | 119.4° | 142.2° |
| C2 | C1 | C5 | C4 | 6.6° | 23.5° |
| C1 | C2 | O32 | C3 | 112.8° | 117.2° |
| C1 | C2 | O32 | H19 | 123.2° | 121.4° |
| C1 | C2 | C3 | H19 | 119.6° | 119.2° |
| C1 | C2 | C3 | C4 | 42.3° | 23.6° |
| C1 | C2 | C3 | N7 | 162.1° | 142.2° |
| C2 | C1 | C5 | H3 | 114.4° | 95.3° |
| C1 | C2 | C3 | H18 | 73.8° | 95.1° |
| C1 | C2 | O32 | H20 | 180.0° | 62.8° |
| C2 | C1 | O31 | H22 | 64.4° | 62.8° |
| C6 | C5 | C4 | H3 | 124.0° | 122.5° |
| C6 | C5 | C4 | C3 | 148.2° | 156.6° |
| C6 | C5 | C4 | H1 | 92.7° | 85.0° |
| C6 | C5 | C4 | H2 | 29.1° | 38.1° |
| C5 | C6 | H4 | H5 | 118.2° | 119.9° |
| C6 | C5 | C1 | H21 | 0.3° | 23.0° |
| C5 | C4 | C3 | C2 | 47.0° | 37.9° |
| C5 | C4 | C3 | H1 | 119.1° | 118.4° |
| C5 | C4 | C3 | H2 | 119.1° | 118.4° |
| C5 | C4 | C3 | N7 | 165.6° | 156.5° |
| C5 | C4 | H1 | H2 | 122.6° | 123.2° |
| C4 | C5 | C6 | H4 | 62.2° | 173.5° |
| C4 | C5 | C6 | H5 | 56.6° | 53.6° |
| C5 | C4 | C3 | H18 | 69.1° | 80.9° |
| C4 | C5 | C1 | H21 | 112.5° | 95.7° |
| O32 | C2 | C3 | H19 | 125.3° | 121.4° |
| O32 | C2 | C3 | C4 | 157.4° | 143.0° |
| O32 | C2 | C3 | N7 | 82.7° | 98.4° |
| O32 | C2 | C3 | H18 | 41.4° | 24.3° |
| O32 | C2 | C1 | H21 | 102.6° | 121.5° |
| C2 | C3 | C4 | N7 | 118.6° | 118.6° |
| C2 | C3 | C4 | H18 | 116.2° | 118.8° |
| C2 | C3 | N7 | H18 | 123.8° | 122.7° |
| C2 | C3 | N7 | C8 | 140.0° | 90.3° |
| C2 | C3 | C4 | H1 | 166.1° | 156.3° |
| C2 | C3 | C4 | H2 | 72.1° | 80.5° |
| C2 | C3 | N7 | H17 | 98.0° | 89.7° |
| C3 | C2 | O32 | H20 | 67.2° | 180.0° |
| C3 | C2 | C1 | H21 | 141.7° | 119.2° |
| C4 | C3 | N7 | H18 | 124.9° | 122.5° |
| C4 | C3 | N7 | C8 | 108.7° | 155.0° |
| C3 | C4 | H1 | H2 | 122.6° | 123.3° |
| C3 | C4 | C5 | H3 | 87.8° | 81.0° |
| C4 | C3 | N7 | H17 | 13.3° | 25.0° |
| C4 | C3 | C2 | H19 | 77.3° | 95.7° |
| C3 | N7 | C8 | N9 | 2.7° | 5.3° |
| C3 | N7 | C8 | H17 | 122.0° | 179.9° |
| C3 | N7 | C8 | C13 | 176.8° | 175.0° |
| N7 | C3 | C4 | H1 | 75.3° | 85.1° |
| N7 | C3 | C4 | H2 | 46.5° | 38.1° |
| N7 | C3 | C2 | H19 | 42.6° | 23.0° |
| N9 | C10 | N11 | H6 | 180.0° | 179.9° |
| C10 | N9 | C8 | N7 | 179.1° | 179.7° |
| C10 | N9 | C8 | C13 | 0.5° | 0.1° |
| N9 | C10 | N11 | C12 | 0.1° | 0.1° |
| C8 | N9 | C10 | N11 | 0.5° | 0.1° |
| N9 | C8 | N7 | C13 | 179.5° | 179.6° |
| N9 | C8 | C13 | C12 | 0.1° | 0.1° |
| N9 | C8 | C13 | C14 | 178.4° | 179.9° |
| C8 | N9 | C10 | H6 | 179.5° | 180.0° |
| N9 | C8 | N7 | H17 | 124.8° | 174.7° |
| C10 | N11 | C12 | C13 | 0.2° | 0.1° |
| C10 | N11 | C12 | H16 | 179.8° | 179.9° |
| N7 | C8 | C13 | C12 | 179.4° | 179.7° |
| N7 | C8 | C13 | C14 | 1.1° | 0.3° |
| C8 | N7 | C3 | H18 | 16.2° | 32.4° |
| C8 | C13 | C12 | N11 | 0.2° | 0.0° |
| C8 | C13 | C12 | C14 | 178.3° | 180.0° |
| C8 | C13 | C14 | O16 | 34.6° | 104.3° |
| C8 | C13 | C14 | C15 | 150.9° | 75.6° |
| C8 | C13 | C12 | H16 | 179.8° | 180.0° |
| C13 | C8 | N7 | H17 | 54.7° | 4.9° |
| N11 | C12 | C13 | H16 | 180.0° | 180.0° |
| N11 | C12 | C13 | C14 | 178.1° | 180.0° |
| C12 | N11 | C10 | H6 | 179.9° | 180.0° |
| C12 | C13 | C14 | O16 | 143.8° | 75.7° |
| C12 | C13 | C14 | C15 | 30.7° | 104.4° |
| C13 | C14 | O16 | C15 | 174.8° | 179.9° |
| C13 | C14 | C15 | C20 | 27.8° | 175.7° |
| C13 | C14 | C15 | S17 | 156.3° | 4.0° |
| C14 | C13 | C12 | H16 | 1.9° | 0.0° |
| BR28 | C24 | N23 | C25 | 180.0° | 180.0° |
| BR28 | C24 | N23 | C22 | 178.6° | 180.0° |
| BR28 | C24 | C25 | C26 | 179.8° | 179.8° |
| BR28 | C24 | C25 | H10 | 0.2° | 0.0° |
| O16 | C14 | C15 | C20 | 157.8° | 4.4° |
| O16 | C14 | C15 | S17 | 18.1° | 176.0° |
| C14 | C15 | C20 | S17 | 176.0° | 179.7° |
| C14 | C15 | C20 | C19 | 178.4° | 179.7° |
| C14 | C15 | S17 | C18 | 178.8° | 179.7° |
| C14 | C15 | C20 | H7 | 1.6° | 0.3° |
| N23 | C24 | C25 | C26 | 0.2° | 0.2° |
| C24 | N23 | C22 | C21 | 179.2° | 180.0° |
| C24 | N23 | C22 | C27 | 2.4° | 0.2° |
| N23 | C24 | C25 | H10 | 179.8° | 180.0° |
| C25 | C24 | N23 | C22 | 1.4° | 0.0° |
| C24 | C25 | C26 | H10 | 180.0° | 179.8° |
| C24 | C25 | C26 | C27 | 0.0° | 0.2° |
| C24 | C25 | C26 | H8 | 180.0° | 179.7° |
| C15 | C20 | C19 | H7 | 180.0° | 180.0° |
| C15 | C20 | C19 | C21 | 179.6° | 180.0° |
| C15 | C20 | C19 | C18 | 1.5° | 0.0° |
| C20 | C15 | S17 | C18 | 2.0° | 0.0° |
| S17 | C15 | C20 | C19 | 2.4° | 0.0° |
| C15 | S17 | C18 | C19 | 1.2° | 0.0° |
| S17 | C15 | C20 | H7 | 177.6° | 180.0° |
| C15 | S17 | C18 | H15 | 178.8° | 180.0° |
| C20 | C19 | C21 | O30 | 28.4° | 172.8° |
| C20 | C19 | C21 | C18 | 178.7° | 180.0° |
| C20 | C19 | C21 | C22 | 93.7° | 67.2° |
| C20 | C19 | C18 | S17 | 0.0° | 0.0° |
| C20 | C19 | C21 | C29 | 148.5° | 52.8° |
| C20 | C19 | C18 | H15 | 180.0° | 180.0° |
| N23 | C22 | C21 | O30 | 16.9° | 125.2° |
| N23 | C22 | C21 | C19 | 105.1° | 5.2° |
| N23 | C22 | C21 | C27 | 176.8° | 179.8° |
| N23 | C22 | C21 | C29 | 155.4° | 114.8° |
| N23 | C22 | C27 | C26 | 2.2° | 0.2° |
| N23 | C22 | C27 | H9 | 177.8° | 179.7° |
| C25 | C26 | C27 | C22 | 1.0° | 0.0° |
| C25 | C26 | C27 | H8 | 180.0° | 179.9° |
| C25 | C26 | C27 | H9 | 179.0° | 180.0° |
| O30 | C21 | C19 | C22 | 122.1° | 120.0° |
| O30 | C21 | C19 | C29 | 120.1° | 120.0° |
| O30 | C21 | C19 | C18 | 152.9° | 7.2° |
| O30 | C21 | C22 | C29 | 172.2° | 120.0° |
| O30 | C21 | C22 | C27 | 166.3° | 55.0° |
| O30 | C21 | C29 | H12 | 180.0° | 60.0° |
| O30 | C21 | C29 | H13 | 60.0° | 60.0° |
| O30 | C21 | C29 | H14 | 60.0° | 180.0° |
| C19 | C21 | C22 | C29 | 99.6° | 120.0° |
| C19 | C21 | C22 | C27 | 78.1° | 175.0° |
| C21 | C19 | C18 | S17 | 178.9° | 180.0° |
| C21 | C19 | C20 | H7 | 0.4° | 0.0° |
| C19 | C21 | O30 | H11 | 180.0° | 60.0° |
| C19 | C21 | C29 | H12 | 87.3° | 180.0° |
| C19 | C21 | C29 | H13 | 152.7° | 60.0° |
| C19 | C21 | C29 | H14 | 32.7° | 60.0° |
| C21 | C19 | C18 | H15 | 1.1° | 0.0° |
| C18 | C19 | C21 | C22 | 85.1° | 112.8° |
| C19 | C18 | S17 | H15 | 180.0° | 180.0° |
| C18 | C19 | C21 | C29 | 32.8° | 127.2° |
| C18 | C19 | C20 | H7 | 178.5° | 180.0° |
| C21 | C22 | C27 | C26 | 178.9° | 180.0° |
| C21 | C22 | C27 | H9 | 1.1° | 0.0° |
| C22 | C21 | O30 | H11 | 90.5° | 60.0° |
| C22 | C21 | C29 | H12 | 7.6° | 60.0° |
| C22 | C21 | C29 | H13 | 112.4° | 180.0° |
| C22 | C21 | C29 | H14 | 127.6° | 60.0° |
| C27 | C22 | C21 | C29 | 21.4° | 65.0° |
| C22 | C27 | C26 | H9 | 180.0° | 180.0° |
| C22 | C27 | C26 | H8 | 179.0° | 179.9° |
| C29 | C21 | O30 | H11 | 81.5° | 180.0° |
| C21 | C29 | H12 | H13 | 120.0° | 120.0° |
| C21 | C29 | H12 | H14 | 120.0° | 120.0° |
| C21 | C29 | H13 | H14 | 120.0° | 120.0° |
| C27 | C26 | C25 | H10 | 180.0° | 180.0° |
| H1 | C4 | C5 | H3 | 31.3° | 37.5° |
| H1 | C4 | C3 | H18 | 50.0° | 37.5° |
| H2 | C4 | C5 | H3 | 153.1° | 160.6° |
| H2 | C4 | C3 | H18 | 171.7° | 160.7° |
| H3 | C5 | C6 | H4 | 61.4° | 63.9° |
| H3 | C5 | C6 | H5 | 179.8° | 176.2° |
| H3 | C5 | C1 | H21 | 126.5° | 145.5° |
| H8 | C26 | C27 | H9 | 1.0° | 0.0° |
| H8 | C26 | C25 | H10 | 0.0° | 0.1° |
| H12 | C29 | H13 | H14 | 120.0° | 120.0° |
| H17 | N7 | C3 | H18 | 138.2° | 147.5° |
| H18 | C3 | C2 | H19 | 166.6° | 145.6° |
| H19 | C2 | O32 | H20 | 56.8° | 58.6° |
| H19 | C2 | C1 | H21 | 21.9° | 0.1° |
| H21 | C1 | O31 | H22 | 61.4° | 58.7° |
