KVK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.33Å | 1.37Å | |
| C1 | N18 | sing | 1.38Å | 1.41Å | |
| C1 | C5 | sing | 1.49Å | 1.46Å | |
| C2 | C12 | sing | 1.47Å | 1.47Å | |
| C2 | S3 | sing | 1.78Å | 1.77Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | N4 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| N18 | C19 | sing | 1.46Å | 1.46Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | N28 | doub | 1.32Å | 1.33Å | Aromatic |
| C27 | S29 | sing | 1.76Å | 1.76Å | |
| S3 | N4 | sing | 1.67Å | 1.66Å | |
| S3 | O10 | doub | 1.42Å | 1.42Å | |
| S3 | O11 | doub | 1.42Å | 1.42Å | |
| N4 | C5 | sing | 1.47Å | 1.36Å | |
| C5 | O6 | sing | 1.43Å | 1.22Å | |
| C23 | N28 | sing | 1.32Å | 1.33Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| S29 | N30 | sing | 1.66Å | 1.66Å | |
| S29 | O31 | doub | 1.42Å | 1.42Å | |
| S29 | O32 | doub | 1.42Å | 1.42Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| N18 | H12 | sing | 0.97Å | 1.00Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å | |
| O6 | H22 | sing | 0.97Å | 0.95Å | |
| C17 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| N30 | H28 | sing | 0.97Å | 1.00Å | |
| N30 | H29 | sing | 0.97Å | 1.00Å | |
| C5 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N18 | 128.9° | 122.2° |
| C2 | C1 | C5 | 114.1° | 115.6° |
| C1 | C2 | C12 | 134.1° | 127.3° |
| C1 | C2 | S3 | 102.6° | 105.5° |
| N18 | C1 | C5 | 116.9° | 122.2° |
| C1 | N18 | C19 | 128.5° | 120.0° |
| C1 | N18 | H12 | 104.5° | 120.0° |
| C1 | C5 | N4 | 117.8° | 113.7° |
| C1 | C5 | O6 | 119.4° | 108.6° |
| C1 | C5 | H30 | 90.8° | 108.7° |
| C12 | C2 | S3 | 123.3° | 127.2° |
| C2 | C12 | C13 | 119.8° | 120.2° |
| C2 | C12 | C17 | 120.6° | 120.2° |
| C2 | S3 | N4 | 101.2° | 101.0° |
| C2 | S3 | O10 | 107.2° | 107.4° |
| C2 | S3 | O11 | 108.1° | 107.4° |
| C8 | C7 | C9 | 112.3° | 109.5° |
| C8 | C7 | N4 | 112.2° | 109.5° |
| C8 | C7 | H1 | 106.8° | 109.5° |
| C7 | C8 | H2 | 109.5° | 109.5° |
| C7 | C8 | H3 | 109.5° | 109.5° |
| C7 | C8 | H4 | 109.5° | 109.4° |
| C9 | C7 | N4 | 111.0° | 109.4° |
| C9 | C7 | H1 | 106.8° | 109.4° |
| C7 | C9 | H5 | 109.5° | 109.4° |
| C7 | C9 | H6 | 109.5° | 109.5° |
| C7 | C9 | H7 | 109.5° | 109.5° |
| C7 | N4 | S3 | 123.4° | 127.9° |
| C7 | N4 | C5 | 132.4° | 127.9° |
| N4 | C7 | H1 | 107.5° | 109.5° |
| C13 | C12 | C17 | 119.3° | 119.7° |
| C12 | C13 | C14 | 120.2° | 119.9° |
| C12 | C13 | H8 | 119.9° | 120.1° |
| C12 | C17 | C16 | 119.8° | 119.9° |
| C12 | C17 | H25 | 120.1° | 120.0° |
| C13 | C14 | C15 | 119.8° | 120.1° |
| C14 | C13 | H8 | 119.9° | 120.1° |
| C13 | C14 | H9 | 120.1° | 119.9° |
| C14 | C15 | C16 | 120.5° | 120.3° |
| C15 | C14 | H9 | 120.1° | 120.0° |
| C14 | C15 | H10 | 119.7° | 119.8° |
| C15 | C16 | C17 | 120.2° | 120.1° |
| C16 | C15 | H10 | 119.8° | 119.8° |
| C15 | C16 | H11 | 119.9° | 119.9° |
| C17 | C16 | H11 | 119.9° | 119.9° |
| C16 | C17 | H25 | 120.1° | 120.1° |
| N18 | C19 | C20 | 107.0° | 109.5° |
| C19 | N18 | H12 | 104.5° | 120.0° |
| N18 | C19 | H13 | 110.1° | 109.5° |
| N18 | C19 | H14 | 110.1° | 109.4° |
| C19 | C20 | C21 | 109.8° | 109.5° |
| C20 | C19 | H13 | 110.1° | 109.5° |
| C20 | C19 | H14 | 110.0° | 109.5° |
| C19 | C20 | H15 | 109.4° | 109.5° |
| C19 | C20 | H16 | 109.4° | 109.4° |
| C20 | C21 | C22 | 106.9° | 109.5° |
| C21 | C20 | H15 | 109.4° | 109.5° |
| C21 | C20 | H16 | 109.4° | 109.4° |
| C20 | C21 | H17 | 110.1° | 109.5° |
| C20 | C21 | H18 | 110.1° | 109.4° |
| C21 | C22 | C23 | 113.0° | 109.5° |
| C22 | C21 | H17 | 110.1° | 109.5° |
| C22 | C21 | H18 | 110.1° | 109.5° |
| C21 | C22 | H19 | 108.6° | 109.5° |
| C21 | C22 | H20 | 108.6° | 109.5° |
| C22 | C23 | C24 | 122.0° | 119.6° |
| C22 | C23 | N28 | 117.4° | 119.6° |
| C23 | C22 | H19 | 108.6° | 109.5° |
| C23 | C22 | H20 | 108.6° | 109.4° |
| C23 | C24 | C25 | 119.2° | 119.1° |
| C24 | C23 | N28 | 120.6° | 120.8° |
| C23 | C24 | H21 | 120.4° | 120.4° |
| C24 | C25 | C26 | 118.6° | 118.5° |
| C25 | C24 | H21 | 120.4° | 120.4° |
| C24 | C25 | H26 | 120.7° | 120.8° |
| C26 | C27 | N28 | 121.2° | 120.8° |
| C26 | C27 | S29 | 120.4° | 119.6° |
| C27 | C26 | C25 | 118.8° | 119.1° |
| C27 | C26 | H27 | 120.6° | 120.4° |
| N28 | C27 | S29 | 118.3° | 119.6° |
| C27 | N28 | C23 | 121.5° | 121.7° |
| C27 | S29 | N30 | 105.5° | 107.2° |
| C27 | S29 | O31 | 106.2° | 106.4° |
| C27 | S29 | O32 | 107.1° | 106.4° |
| N4 | S3 | O10 | 106.8° | 107.4° |
| N4 | S3 | O11 | 106.7° | 107.3° |
| S3 | N4 | C5 | 104.2° | 104.2° |
| O10 | S3 | O11 | 124.5° | 124.1° |
| N4 | C5 | O6 | 122.7° | 108.3° |
| N4 | C5 | H30 | 90.9° | 109.0° |
| C5 | O6 | H22 | 109.5° | 114.0° |
| O6 | C5 | H30 | 91.0° | 108.4° |
| C26 | C25 | H26 | 120.7° | 120.7° |
| C25 | C26 | H27 | 120.6° | 120.4° |
| N30 | S29 | O31 | 106.6° | 106.4° |
| N30 | S29 | O32 | 107.2° | 106.4° |
| S29 | N30 | H28 | 109.5° | 119.9° |
| S29 | N30 | H29 | 109.5° | 120.0° |
| O31 | S29 | O32 | 123.0° | 123.2° |
| H2 | C8 | H3 | 109.5° | 109.5° |
| H2 | C8 | H4 | 109.4° | 109.4° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H5 | C9 | H7 | 109.5° | 109.4° |
| H6 | C9 | H7 | 109.4° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H28 | N30 | H29 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N18 | C5 | 177.0° | 179.7° |
| C1 | C2 | C12 | S3 | 179.8° | 180.0° |
| C1 | C2 | C12 | C13 | 117.2° | 133.2° |
| C1 | C2 | C12 | C17 | 69.3° | 47.0° |
| C2 | C1 | N18 | C19 | 4.8° | 118.2° |
| C1 | C2 | S3 | N4 | 2.9° | 0.0° |
| C1 | C2 | S3 | O10 | 108.8° | 112.3° |
| C1 | C2 | S3 | O11 | 114.7° | 112.3° |
| C2 | C1 | C5 | N4 | 0.3° | 0.5° |
| C2 | C1 | C5 | O6 | 177.2° | 121.1° |
| C2 | C1 | N18 | H12 | 127.3° | 61.7° |
| C2 | C1 | C5 | H30 | 91.2° | 121.1° |
| N18 | C1 | C2 | C12 | 1.0° | 0.0° |
| N18 | C1 | C2 | S3 | 178.8° | 180.0° |
| C1 | N18 | C19 | H12 | 122.5° | 180.0° |
| C1 | N18 | C19 | C20 | 82.8° | 173.7° |
| N18 | C1 | C5 | N4 | 177.1° | 179.8° |
| N18 | C1 | C5 | O6 | 0.2° | 59.2° |
| C1 | N18 | C19 | H13 | 157.6° | 53.7° |
| C1 | N18 | C19 | H14 | 36.8° | 66.3° |
| N18 | C1 | C5 | H30 | 91.4° | 58.6° |
| C5 | C1 | C2 | C12 | 178.1° | 179.7° |
| C5 | C1 | C2 | S3 | 1.8° | 0.3° |
| C1 | C5 | N4 | C7 | 178.6° | 179.8° |
| C5 | C1 | N18 | C19 | 178.2° | 61.5° |
| C1 | C5 | N4 | S3 | 2.4° | 0.5° |
| C1 | C5 | N4 | O6 | 176.8° | 120.8° |
| C1 | C5 | N4 | H30 | 91.4° | 121.4° |
| C1 | C5 | O6 | H30 | 91.5° | 117.9° |
| C5 | C1 | N18 | H12 | 55.7° | 118.5° |
| C1 | C5 | O6 | H22 | 180.0° | 61.4° |
| C2 | C12 | C13 | C17 | 173.6° | 179.8° |
| C2 | C12 | C13 | C14 | 178.0° | 180.0° |
| C2 | C12 | C17 | C16 | 178.3° | 179.7° |
| C12 | C2 | S3 | N4 | 177.0° | 180.0° |
| C12 | C2 | S3 | O10 | 71.4° | 67.7° |
| C12 | C2 | S3 | O11 | 65.1° | 67.8° |
| C2 | C12 | C13 | H8 | 2.0° | 0.0° |
| C2 | C12 | C17 | H25 | 1.7° | 0.0° |
| C2 | S3 | N4 | C7 | 177.9° | 180.0° |
| S3 | C2 | C12 | C13 | 63.0° | 46.8° |
| S3 | C2 | C12 | C17 | 110.5° | 133.0° |
| C2 | S3 | N4 | O10 | 112.0° | 112.3° |
| C2 | S3 | N4 | O11 | 113.0° | 112.3° |
| C2 | S3 | O10 | O11 | 127.4° | 126.1° |
| C2 | S3 | N4 | C5 | 3.0° | 0.3° |
| C8 | C7 | C9 | N4 | 126.4° | 120.0° |
| C8 | C7 | C9 | H1 | 116.7° | 120.0° |
| C8 | C7 | N4 | H1 | 117.1° | 120.0° |
| C8 | C7 | N4 | S3 | 123.3° | 120.0° |
| C8 | C7 | N4 | C5 | 57.8° | 60.3° |
| C7 | C8 | H2 | H3 | 120.0° | 120.1° |
| C7 | C8 | H2 | H4 | 120.0° | 120.0° |
| C7 | C8 | H3 | H4 | 120.0° | 120.0° |
| C8 | C7 | C9 | H5 | 180.0° | 60.0° |
| C8 | C7 | C9 | H6 | 60.0° | 180.0° |
| C8 | C7 | C9 | H7 | 60.0° | 59.9° |
| C9 | C7 | N4 | H1 | 116.4° | 119.9° |
| C9 | C7 | N4 | S3 | 110.1° | 119.9° |
| C9 | C7 | N4 | C5 | 68.7° | 59.7° |
| C9 | C7 | C8 | H2 | 180.0° | 60.0° |
| C9 | C7 | C8 | H3 | 60.0° | 180.0° |
| C9 | C7 | C8 | H4 | 60.0° | 60.0° |
| C7 | C9 | H5 | H6 | 120.0° | 120.1° |
| C7 | C9 | H5 | H7 | 120.0° | 119.9° |
| C7 | C9 | H6 | H7 | 120.0° | 120.0° |
| C7 | N4 | S3 | C5 | 179.1° | 179.7° |
| C7 | N4 | S3 | O10 | 70.1° | 67.7° |
| C7 | N4 | S3 | O11 | 64.9° | 67.7° |
| C7 | N4 | C5 | O6 | 1.9° | 59.0° |
| N4 | C7 | C8 | H2 | 54.2° | 180.0° |
| N4 | C7 | C8 | H3 | 65.8° | 60.0° |
| N4 | C7 | C8 | H4 | 174.2° | 60.0° |
| N4 | C7 | C9 | H5 | 53.6° | 60.0° |
| N4 | C7 | C9 | H6 | 173.6° | 60.0° |
| N4 | C7 | C9 | H7 | 66.5° | 180.0° |
| C7 | N4 | C5 | H30 | 90.0° | 58.8° |
| C12 | C13 | C14 | H8 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 2.0° | 0.0° |
| C13 | C12 | C17 | C16 | 4.8° | 0.6° |
| C12 | C13 | C14 | H9 | 178.0° | 180.0° |
| C13 | C12 | C17 | H25 | 175.3° | 179.8° |
| C17 | C12 | C13 | C14 | 4.4° | 0.3° |
| C12 | C17 | C16 | C15 | 2.8° | 0.6° |
| C12 | C17 | C16 | H25 | 180.0° | 179.7° |
| C17 | C12 | C13 | H8 | 175.6° | 179.7° |
| C12 | C17 | C16 | H11 | 177.2° | 179.7° |
| C13 | C14 | C15 | H9 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C13 | C14 | C15 | H10 | 180.0° | 180.0° |
| C14 | C15 | C16 | H10 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.4° | 0.3° |
| C15 | C14 | C13 | H8 | 178.0° | 180.0° |
| C14 | C15 | C16 | H11 | 179.6° | 179.9° |
| C15 | C16 | C17 | H11 | 180.0° | 179.7° |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| C15 | C16 | C17 | H25 | 177.2° | 179.8° |
| C17 | C16 | C15 | H10 | 179.7° | 179.7° |
| N18 | C19 | C20 | H13 | 119.6° | 120.1° |
| N18 | C19 | C20 | H14 | 119.6° | 119.9° |
| N18 | C19 | C20 | C21 | 159.3° | 180.0° |
| N18 | C19 | H13 | H14 | 121.2° | 119.9° |
| N18 | C19 | C20 | H15 | 39.3° | 59.9° |
| N18 | C19 | C20 | H16 | 80.6° | 60.1° |
| C19 | C20 | C21 | H15 | 120.0° | 120.1° |
| C19 | C20 | C21 | H16 | 120.0° | 119.9° |
| C19 | C20 | C21 | C22 | 134.1° | 180.0° |
| C20 | C19 | N18 | H12 | 39.7° | 6.2° |
| C20 | C19 | H13 | H14 | 121.1° | 120.0° |
| C19 | C20 | H15 | H16 | 119.8° | 120.0° |
| C19 | C20 | C21 | H17 | 14.5° | 59.9° |
| C19 | C20 | C21 | H18 | 106.3° | 60.0° |
| C20 | C21 | C22 | H17 | 119.6° | 120.0° |
| C20 | C21 | C22 | H18 | 119.6° | 120.0° |
| C20 | C21 | C22 | C23 | 162.8° | 180.0° |
| C21 | C20 | C19 | H13 | 81.0° | 60.0° |
| C21 | C20 | C19 | H14 | 39.7° | 60.1° |
| C21 | C20 | H15 | H16 | 119.9° | 120.0° |
| C20 | C21 | H17 | H18 | 121.2° | 119.9° |
| C20 | C21 | C22 | H19 | 42.3° | 60.0° |
| C20 | C21 | C22 | H20 | 76.6° | 60.0° |
| C21 | C22 | C23 | H19 | 120.5° | 120.0° |
| C21 | C22 | C23 | H20 | 120.5° | 120.0° |
| C21 | C22 | C23 | C24 | 28.2° | 125.0° |
| C21 | C22 | C23 | N28 | 153.5° | 55.0° |
| C22 | C21 | C20 | H15 | 105.9° | 60.0° |
| C22 | C21 | C20 | H16 | 14.0° | 60.1° |
| C22 | C21 | H17 | H18 | 121.2° | 120.0° |
| C21 | C22 | H19 | H20 | 118.4° | 120.0° |
| C22 | C23 | C24 | N28 | 178.2° | 180.0° |
| C22 | C23 | C24 | C25 | 179.6° | 180.0° |
| C22 | C23 | N28 | C27 | 179.1° | 180.0° |
| C23 | C22 | C21 | H17 | 77.6° | 60.0° |
| C23 | C22 | C21 | H18 | 43.2° | 60.0° |
| C23 | C22 | H19 | H20 | 118.4° | 120.0° |
| C22 | C23 | C24 | H21 | 0.5° | 0.3° |
| C23 | C24 | C25 | H21 | 180.0° | 179.7° |
| C24 | C23 | N28 | C27 | 0.9° | 0.1° |
| C23 | C24 | C25 | C26 | 1.3° | 0.1° |
| C24 | C23 | C22 | H19 | 92.3° | 5.0° |
| C24 | C23 | C22 | H20 | 148.8° | 115.0° |
| C23 | C24 | C25 | H26 | 178.7° | 180.0° |
| C24 | C25 | C26 | C27 | 0.6° | 0.0° |
| C25 | C24 | C23 | N28 | 1.4° | 0.1° |
| C24 | C25 | C26 | H26 | 180.0° | 180.0° |
| C24 | C25 | C26 | H27 | 179.4° | 180.0° |
| C26 | C27 | N28 | S29 | 179.6° | 180.0° |
| C26 | C27 | N28 | C23 | 0.2° | 0.0° |
| C27 | C26 | C25 | H27 | 180.0° | 180.0° |
| C26 | C27 | S29 | N30 | 145.7° | 90.0° |
| C26 | C27 | S29 | O31 | 101.4° | 156.5° |
| C26 | C27 | S29 | O32 | 31.7° | 23.5° |
| C27 | C26 | C25 | H26 | 179.3° | 180.0° |
| N28 | C27 | C26 | C25 | 0.1° | 0.0° |
| N28 | C27 | S29 | N30 | 33.9° | 90.1° |
| N28 | C27 | S29 | O31 | 79.0° | 23.5° |
| N28 | C27 | S29 | O32 | 147.9° | 156.4° |
| N28 | C27 | C26 | H27 | 179.9° | 180.0° |
| S29 | C27 | N28 | C23 | 179.9° | 179.9° |
| S29 | C27 | C26 | C25 | 179.7° | 180.0° |
| C27 | S29 | N30 | O31 | 112.7° | 113.6° |
| C27 | S29 | N30 | O32 | 113.9° | 113.5° |
| C27 | S29 | O31 | O32 | 123.7° | 123.0° |
| S29 | C27 | C26 | H27 | 0.3° | 0.0° |
| C27 | S29 | N30 | H28 | 180.0° | 0.1° |
| C27 | S29 | N30 | H29 | 60.0° | 180.0° |
| N4 | S3 | O10 | O11 | 124.8° | 126.0° |
| S3 | N4 | C5 | O6 | 179.1° | 121.3° |
| S3 | N4 | C7 | H1 | 6.3° | 0.0° |
| S3 | N4 | C5 | H30 | 89.1° | 120.9° |
| O10 | S3 | N4 | C5 | 109.0° | 112.0° |
| O11 | S3 | N4 | C5 | 116.0° | 112.5° |
| N4 | C5 | O6 | H30 | 91.8° | 118.2° |
| C5 | N4 | C7 | H1 | 174.9° | 179.7° |
| N4 | C5 | O6 | H22 | 3.3° | 174.7° |
| N28 | C23 | C22 | H19 | 85.9° | 175.0° |
| N28 | C23 | C22 | H20 | 33.0° | 65.0° |
| N28 | C23 | C24 | H21 | 178.6° | 179.8° |
| C26 | C25 | C24 | H21 | 178.8° | 179.8° |
| N30 | S29 | O31 | O32 | 124.2° | 122.9° |
| S29 | N30 | H28 | H29 | 120.0° | 179.9° |
| O31 | S29 | N30 | H28 | 67.3° | 113.5° |
| O31 | S29 | N30 | H29 | 172.7° | 66.4° |
| O32 | S29 | N30 | H28 | 66.1° | 113.6° |
| O32 | S29 | N30 | H29 | 53.9° | 66.5° |
| H1 | C7 | C8 | H2 | 63.3° | 60.0° |
| H1 | C7 | C8 | H3 | 176.7° | 60.0° |
| H1 | C7 | C8 | H4 | 56.7° | 180.0° |
| H1 | C7 | C9 | H5 | 63.3° | 180.0° |
| H1 | C7 | C9 | H6 | 56.7° | 60.0° |
| H1 | C7 | C9 | H7 | 176.7° | 60.1° |
| H2 | C8 | H3 | H4 | 119.9° | 120.0° |
| H5 | C9 | H6 | H7 | 120.0° | 120.0° |
| H8 | C13 | C14 | H9 | 2.1° | 0.0° |
| H9 | C14 | C15 | H10 | 0.0° | 0.0° |
| H10 | C15 | C16 | H11 | 0.4° | 0.1° |
| H11 | C16 | C17 | H25 | 2.8° | 0.0° |
| H12 | N18 | C19 | H13 | 79.9° | 126.3° |
| H12 | N18 | C19 | H14 | 159.3° | 113.7° |
| H13 | C19 | C20 | H15 | 158.9° | 180.0° |
| H13 | C19 | C20 | H16 | 39.0° | 59.9° |
| H14 | C19 | C20 | H15 | 80.3° | 60.0° |
| H14 | C19 | C20 | H16 | 159.8° | 180.0° |
| H15 | C20 | C21 | H17 | 134.5° | 180.0° |
| H15 | C20 | C21 | H18 | 13.7° | 60.0° |
| H16 | C20 | C21 | H17 | 105.6° | 60.0° |
| H16 | C20 | C21 | H18 | 133.6° | 179.9° |
| H17 | C21 | C22 | H19 | 161.9° | 180.0° |
| H17 | C21 | C22 | H20 | 43.0° | 60.0° |
| H18 | C21 | C22 | H19 | 77.3° | 60.0° |
| H18 | C21 | C22 | H20 | 163.8° | 180.0° |
| H21 | C24 | C25 | H26 | 1.3° | 0.3° |
| H22 | O6 | C5 | H30 | 88.5° | 56.5° |
| H26 | C25 | C26 | H27 | 0.6° | 0.0° |
