K36
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C21 | sing | 1.43Å | 1.43Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C24 | sing | 1.53Å | 1.52Å | |
| C20 | N19 | sing | 1.47Å | 1.46Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.54Å | 1.53Å | |
| C26 | C25 | sing | 1.55Å | 1.53Å | |
| C27 | N28 | sing | 1.47Å | 1.48Å | |
| O18 | C17 | doub | 1.21Å | 1.23Å | |
| N19 | C17 | sing | 1.35Å | 1.39Å | |
| C25 | C29 | sing | 1.51Å | 1.49Å | |
| C29 | N28 | sing | 1.34Å | 1.38Å | |
| C29 | O30 | doub | 1.21Å | 1.22Å | |
| C17 | C12 | sing | 1.51Å | 1.50Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | N11 | sing | 1.46Å | 1.47Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.51Å | |
| N11 | C9 | sing | 1.35Å | 1.37Å | |
| O10 | C9 | doub | 1.21Å | 1.23Å | |
| C9 | O8 | sing | 1.35Å | 1.44Å | |
| O8 | C7 | sing | 1.45Å | 1.43Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| N11 | H4 | sing | 0.97Å | 1.00Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| N19 | H15 | sing | 0.97Å | 1.00Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| O22 | H19 | sing | 0.97Å | 0.95Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| N28 | H27 | sing | 0.97Å | 1.00Å | |
| C7 | C1 | sing | 1.51Å | 47.61Å | |
| C1 | C2 | sing | 1.38Å | 0.00Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 0.00Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 0.00Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 0.00Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 0.00Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 0.00Å | Aromatic |
| C21 | S1 | sing | 1.81Å | 39.32Å | |
| S1 | O1 | doub | 1.42Å | 0.00Å | |
| S1 | O2 | doub | 1.42Å | 0.00Å | |
| S1 | O3 | sing | 1.52Å | 0.00Å | |
| C2 | H3 | sing | 1.08Å | 0.00Å | |
| C3 | H18 | sing | 1.08Å | 0.00Å | |
| C4 | H28 | sing | 1.08Å | 0.00Å | |
| C5 | H29 | sing | 1.08Å | 0.00Å | |
| C6 | H30 | sing | 1.08Å | 0.00Å | |
| O3 | H31 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C21 | C20 | 110.9° | 109.5° |
| O22 | C21 | H17 | 103.0° | 109.5° |
| C21 | O22 | H19 | 109.5° | 114.0° |
| O22 | C21 | S1 | 90.8° | 109.5° |
| C21 | C20 | C24 | 108.2° | 109.5° |
| C21 | C20 | N19 | 110.5° | 109.5° |
| C21 | C20 | H16 | 108.2° | 109.5° |
| C20 | C21 | H17 | 102.1° | 109.5° |
| C20 | C21 | S1 | 151.2° | 109.5° |
| C24 | C20 | N19 | 112.2° | 109.5° |
| C20 | C24 | C25 | 112.7° | 109.5° |
| C24 | C20 | H16 | 108.4° | 109.4° |
| C20 | C24 | H20 | 108.7° | 109.4° |
| C20 | C24 | H21 | 108.6° | 109.5° |
| C20 | N19 | C17 | 122.5° | 120.0° |
| C20 | N19 | H15 | 118.7° | 120.0° |
| N19 | C20 | H16 | 109.2° | 109.4° |
| C24 | C25 | C26 | 112.5° | 110.5° |
| C24 | C25 | C29 | 110.5° | 110.5° |
| C25 | C24 | H20 | 108.7° | 109.5° |
| C25 | C24 | H21 | 108.6° | 109.5° |
| C24 | C25 | H22 | 110.9° | 110.5° |
| C27 | C26 | C25 | 104.5° | 101.8° |
| C26 | C27 | N28 | 107.7° | 105.5° |
| C27 | C26 | H23 | 110.7° | 111.0° |
| C27 | C26 | H24 | 110.7° | 111.0° |
| C26 | C27 | H25 | 109.9° | 110.2° |
| C26 | C27 | H26 | 109.9° | 110.2° |
| C26 | C25 | C29 | 100.5° | 104.2° |
| C26 | C25 | H22 | 110.7° | 110.6° |
| C25 | C26 | H23 | 110.7° | 110.9° |
| C25 | C26 | H24 | 110.7° | 110.9° |
| C27 | N28 | C29 | 105.2° | 111.3° |
| N28 | C27 | H25 | 109.9° | 110.3° |
| N28 | C27 | H26 | 109.9° | 110.3° |
| C27 | N28 | H27 | 127.4° | 124.3° |
| O18 | C17 | N19 | 121.3° | 120.0° |
| O18 | C17 | C12 | 120.8° | 120.0° |
| N19 | C17 | C12 | 117.9° | 120.0° |
| C17 | N19 | H15 | 118.7° | 120.0° |
| C25 | C29 | N28 | 115.5° | 110.1° |
| C25 | C29 | O30 | 123.7° | 124.9° |
| C29 | C25 | H22 | 111.4° | 110.5° |
| N28 | C29 | O30 | 120.8° | 125.0° |
| C29 | N28 | H27 | 127.4° | 124.3° |
| C17 | C12 | C13 | 106.2° | 109.5° |
| C17 | C12 | N11 | 109.8° | 109.5° |
| C17 | C12 | H5 | 109.5° | 109.5° |
| C12 | C13 | C14 | 112.5° | 109.4° |
| C13 | C12 | N11 | 112.2° | 109.5° |
| C13 | C12 | H5 | 109.1° | 109.5° |
| C12 | C13 | H6 | 108.7° | 109.5° |
| C12 | C13 | H7 | 108.7° | 109.5° |
| C13 | C14 | C15 | 108.6° | 109.5° |
| C13 | C14 | C16 | 111.8° | 109.4° |
| C14 | C13 | H6 | 108.7° | 109.4° |
| C14 | C13 | H7 | 108.7° | 109.5° |
| C13 | C14 | H8 | 108.8° | 109.4° |
| C12 | N11 | C9 | 120.9° | 120.0° |
| C12 | N11 | H4 | 119.5° | 120.0° |
| N11 | C12 | H5 | 109.9° | 109.4° |
| C15 | C14 | C16 | 110.1° | 109.5° |
| C15 | C14 | H8 | 108.7° | 109.5° |
| C14 | C15 | H9 | 109.5° | 109.4° |
| C14 | C15 | H10 | 109.4° | 109.5° |
| C14 | C15 | H11 | 109.5° | 109.5° |
| C16 | C14 | H8 | 108.8° | 109.5° |
| C14 | C16 | H12 | 109.5° | 109.5° |
| C14 | C16 | H13 | 109.5° | 109.4° |
| C14 | C16 | H14 | 109.5° | 109.4° |
| N11 | C9 | O10 | 123.6° | 120.0° |
| N11 | C9 | O8 | 117.9° | 120.0° |
| C9 | N11 | H4 | 119.5° | 120.0° |
| O10 | C9 | O8 | 118.5° | 120.0° |
| C9 | O8 | C7 | 119.5° | 117.0° |
| O8 | C7 | H1 | 119.0° | 109.5° |
| O8 | C7 | H2 | 119.0° | 109.4° |
| O8 | C7 | C1 | 65.8° | 109.5° |
| H1 | C7 | H2 | 109.4° | 109.5° |
| H1 | C7 | C1 | 119.0° | 109.5° |
| H2 | C7 | C1 | 119.0° | 109.5° |
| H6 | C13 | H7 | 109.4° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.4° |
| H9 | C15 | H11 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H12 | C16 | H14 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.4° |
| H17 | C21 | S1 | 90.5° | 109.5° |
| H20 | C24 | H21 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.5° | 110.9° |
| H25 | C27 | H26 | 109.5° | 110.3° |
| C7 | C1 | C2 | 90.0° | 120.0° |
| C7 | C1 | C6 | 90.0° | 120.0° |
| C1 | C2 | C3 | 90.0° | 120.0° |
| C2 | C1 | C6 | 90.0° | 120.0° |
| C1 | C2 | H3 | 90.0° | 120.0° |
| C2 | C3 | C4 | 90.0° | 120.0° |
| C3 | C2 | H3 | 90.0° | 120.0° |
| C2 | C3 | H18 | 90.0° | 120.0° |
| C3 | C4 | C5 | 90.0° | 120.0° |
| C4 | C3 | H18 | 90.0° | 120.0° |
| C3 | C4 | H28 | 90.0° | 120.0° |
| C4 | C5 | C6 | 90.0° | 120.0° |
| C5 | C4 | H28 | 90.0° | 120.0° |
| C4 | C5 | H29 | 90.0° | 120.0° |
| C5 | C6 | C1 | 90.0° | 120.0° |
| C6 | C5 | H29 | 90.0° | 120.0° |
| C5 | C6 | H30 | 90.0° | 120.0° |
| C1 | C6 | H30 | 90.0° | 120.0° |
| C21 | S1 | O1 | 90.0° | 110.5° |
| C21 | S1 | O2 | 90.0° | 110.5° |
| C21 | S1 | O3 | 90.0° | 104.5° |
| O1 | S1 | O2 | 90.0° | 121.0° |
| O1 | S1 | O3 | 90.0° | 104.3° |
| O2 | S1 | O3 | 90.0° | 104.3° |
| S1 | O3 | H31 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C21 | C20 | H17 | 109.2° | 120.0° |
| O22 | C21 | C20 | S1 | 136.6° | 120.0° |
| O22 | C21 | C20 | C24 | 169.6° | 55.0° |
| O22 | C21 | C20 | N19 | 67.1° | 175.0° |
| O22 | C21 | C20 | H16 | 52.3° | 65.0° |
| O22 | C21 | H17 | S1 | 91.0° | 120.0° |
| O22 | C21 | S1 | O1 | 90.0° | 56.6° |
| O22 | C21 | S1 | O2 | 90.0° | 166.6° |
| O22 | C21 | S1 | O3 | 90.0° | 55.0° |
| C21 | C20 | C24 | N19 | 122.2° | 120.1° |
| C21 | C20 | C24 | H16 | 117.1° | 120.0° |
| C21 | C20 | N19 | H16 | 118.8° | 120.0° |
| C21 | C20 | C24 | C25 | 179.8° | 175.0° |
| C21 | C20 | N19 | C17 | 131.6° | 84.9° |
| C21 | C20 | N19 | H15 | 48.4° | 95.0° |
| C20 | C21 | H17 | S1 | 154.0° | 120.0° |
| C20 | C21 | O22 | H19 | 180.0° | 60.0° |
| C21 | C20 | C24 | H20 | 59.3° | 65.0° |
| C21 | C20 | C24 | H21 | 59.7° | 55.0° |
| C20 | C21 | S1 | O1 | 90.0° | 63.4° |
| C20 | C21 | S1 | O2 | 90.0° | 73.4° |
| C20 | C21 | S1 | O3 | 90.0° | 175.0° |
| C24 | C20 | N19 | H16 | 120.2° | 119.9° |
| C20 | C24 | C25 | H20 | 120.5° | 119.9° |
| C20 | C24 | C25 | H21 | 120.5° | 120.0° |
| C20 | C24 | C25 | C26 | 65.2° | 178.8° |
| C24 | C20 | N19 | C17 | 107.5° | 155.0° |
| C20 | C24 | C25 | C29 | 176.6° | 66.5° |
| C24 | C20 | N19 | H15 | 72.5° | 25.1° |
| C24 | C20 | C21 | H17 | 81.2° | 174.9° |
| C20 | C24 | H20 | H21 | 118.5° | 120.0° |
| C20 | C24 | C25 | H22 | 59.3° | 56.1° |
| C24 | C20 | C21 | S1 | 33.0° | 65.0° |
| N19 | C20 | C24 | C25 | 57.6° | 64.9° |
| C20 | N19 | C17 | O18 | 2.4° | 6.1° |
| C20 | N19 | C17 | H15 | 180.0° | 179.9° |
| C20 | N19 | C17 | C12 | 177.4° | 173.8° |
| N19 | C20 | C21 | H17 | 42.1° | 65.0° |
| N19 | C20 | C24 | H20 | 62.9° | 55.0° |
| N19 | C20 | C24 | H21 | 178.1° | 175.0° |
| N19 | C20 | C21 | S1 | 156.2° | 55.0° |
| C24 | C25 | C26 | C27 | 142.0° | 93.9° |
| C24 | C25 | C26 | C29 | 117.5° | 118.7° |
| C24 | C25 | C26 | H22 | 124.7° | 122.6° |
| C24 | C25 | C29 | H22 | 123.7° | 122.6° |
| C24 | C25 | C29 | N28 | 140.6° | 102.4° |
| C24 | C25 | C29 | O30 | 39.5° | 77.6° |
| C25 | C24 | C20 | H16 | 63.1° | 55.0° |
| C25 | C24 | H20 | H21 | 118.5° | 120.1° |
| C24 | C25 | C26 | H23 | 98.9° | 24.2° |
| C24 | C25 | C26 | H24 | 22.7° | 148.0° |
| C27 | C26 | C25 | H23 | 119.2° | 118.1° |
| C27 | C26 | C25 | H24 | 119.2° | 118.1° |
| C26 | C27 | N28 | H25 | 119.7° | 119.0° |
| C26 | C27 | N28 | H26 | 119.7° | 119.0° |
| C27 | C26 | C25 | C29 | 24.5° | 24.8° |
| C26 | C27 | N28 | C29 | 8.5° | 17.0° |
| C27 | C26 | C25 | H22 | 93.4° | 143.5° |
| C27 | C26 | H23 | H24 | 122.3° | 123.9° |
| C26 | C27 | H25 | H26 | 120.8° | 121.9° |
| C26 | C27 | N28 | H27 | 171.5° | 163.0° |
| C25 | C26 | C27 | N28 | 21.4° | 25.4° |
| C26 | C25 | C29 | H22 | 117.3° | 118.8° |
| C26 | C25 | C29 | N28 | 21.7° | 16.3° |
| C26 | C25 | C29 | O30 | 158.5° | 163.8° |
| C26 | C25 | C24 | H20 | 174.3° | 61.3° |
| C26 | C25 | C24 | H21 | 55.2° | 58.8° |
| C25 | C26 | H23 | H24 | 122.3° | 123.8° |
| C25 | C26 | C27 | H25 | 141.1° | 93.6° |
| C25 | C26 | C27 | H26 | 98.3° | 144.4° |
| C27 | N28 | C29 | C25 | 8.8° | 0.4° |
| C27 | N28 | C29 | H27 | 180.0° | 180.0° |
| C27 | N28 | C29 | O30 | 171.4° | 179.6° |
| N28 | C27 | C26 | H23 | 140.6° | 143.5° |
| N28 | C27 | C26 | H24 | 97.8° | 92.7° |
| N28 | C27 | H25 | H26 | 120.8° | 122.1° |
| O18 | C17 | N19 | C12 | 179.8° | 179.9° |
| O18 | C17 | C12 | C13 | 84.3° | 106.6° |
| O18 | C17 | C12 | N11 | 37.3° | 13.3° |
| O18 | C17 | C12 | H5 | 158.0° | 133.3° |
| O18 | C17 | N19 | H15 | 177.6° | 173.8° |
| N19 | C17 | C12 | C13 | 95.9° | 73.4° |
| N19 | C17 | C12 | N11 | 142.5° | 166.6° |
| N19 | C17 | C12 | H5 | 21.8° | 46.6° |
| C17 | N19 | C20 | H16 | 12.7° | 35.1° |
| C25 | C29 | N28 | O30 | 179.8° | 180.0° |
| C29 | C25 | C24 | H20 | 62.9° | 53.5° |
| C29 | C25 | C24 | H21 | 56.2° | 173.5° |
| C29 | C25 | C26 | H23 | 143.6° | 142.9° |
| C29 | C25 | C26 | H24 | 94.8° | 93.3° |
| C25 | C29 | N28 | H27 | 171.2° | 179.7° |
| N28 | C29 | C25 | H22 | 95.6° | 135.0° |
| C29 | N28 | C27 | H25 | 128.2° | 101.9° |
| C29 | N28 | C27 | H26 | 111.2° | 136.0° |
| O30 | C29 | C25 | H22 | 84.2° | 45.0° |
| O30 | C29 | N28 | H27 | 8.6° | 0.4° |
| C17 | C12 | C13 | N11 | 120.0° | 120.0° |
| C17 | C12 | C13 | H5 | 118.0° | 120.0° |
| C17 | C12 | C13 | C14 | 179.8° | 68.7° |
| C17 | C12 | N11 | H5 | 120.5° | 120.0° |
| C17 | C12 | N11 | C9 | 69.5° | 150.9° |
| C17 | C12 | N11 | H4 | 110.5° | 29.2° |
| C17 | C12 | C13 | H6 | 59.4° | 171.3° |
| C17 | C12 | C13 | H7 | 59.7° | 51.3° |
| C12 | C17 | N19 | H15 | 2.6° | 6.3° |
| C12 | C13 | C14 | H6 | 120.5° | 120.0° |
| C12 | C13 | C14 | H7 | 120.5° | 120.0° |
| C13 | C12 | N11 | H5 | 121.6° | 120.0° |
| C12 | C13 | C14 | C15 | 170.1° | 66.4° |
| C12 | C13 | C14 | C16 | 68.2° | 173.6° |
| C13 | C12 | N11 | C9 | 172.7° | 89.1° |
| C13 | C12 | N11 | H4 | 7.3° | 90.8° |
| C12 | C13 | H6 | H7 | 118.6° | 120.1° |
| C12 | C13 | C14 | H8 | 52.0° | 53.7° |
| C14 | C13 | C12 | N11 | 59.8° | 171.3° |
| C13 | C14 | C15 | C16 | 122.7° | 120.0° |
| C13 | C14 | C15 | H8 | 118.2° | 120.0° |
| C13 | C14 | C16 | H8 | 120.1° | 119.9° |
| C14 | C13 | C12 | H5 | 62.2° | 51.3° |
| C14 | C13 | H6 | H7 | 118.6° | 120.0° |
| C13 | C14 | C15 | H9 | 180.0° | 175.4° |
| C13 | C14 | C15 | H10 | 60.0° | 55.5° |
| C13 | C14 | C15 | H11 | 60.0° | 64.5° |
| C13 | C14 | C16 | H12 | 180.0° | 60.0° |
| C13 | C14 | C16 | H13 | 60.0° | 180.0° |
| C13 | C14 | C16 | H14 | 60.0° | 60.0° |
| C12 | N11 | C9 | H4 | 180.0° | 179.9° |
| C12 | N11 | C9 | O10 | 2.2° | 4.9° |
| C12 | N11 | C9 | O8 | 178.0° | 175.0° |
| N11 | C12 | C13 | H6 | 60.7° | 51.3° |
| N11 | C12 | C13 | H7 | 179.7° | 68.7° |
| C15 | C14 | C16 | H8 | 119.1° | 120.1° |
| C15 | C14 | C13 | H6 | 49.7° | 53.6° |
| C15 | C14 | C13 | H7 | 69.4° | 173.6° |
| C14 | C15 | H9 | H10 | 120.0° | 120.0° |
| C14 | C15 | H9 | H11 | 120.0° | 120.0° |
| C14 | C15 | H10 | H11 | 120.0° | 120.0° |
| C15 | C14 | C16 | H12 | 59.2° | 180.0° |
| C15 | C14 | C16 | H13 | 60.8° | 60.0° |
| C15 | C14 | C16 | H14 | 179.2° | 60.0° |
| C16 | C14 | C13 | H6 | 171.4° | 66.4° |
| C16 | C14 | C13 | H7 | 52.3° | 53.6° |
| C16 | C14 | C15 | H9 | 57.3° | 64.6° |
| C16 | C14 | C15 | H10 | 177.3° | 175.5° |
| C16 | C14 | C15 | H11 | 62.7° | 55.4° |
| C14 | C16 | H12 | H13 | 120.0° | 120.0° |
| C14 | C16 | H12 | H14 | 120.0° | 120.0° |
| C14 | C16 | H13 | H14 | 120.0° | 119.9° |
| N11 | C9 | O10 | O8 | 179.8° | 179.9° |
| N11 | C9 | O8 | C7 | 166.3° | 180.0° |
| C9 | N11 | C12 | H5 | 51.1° | 30.9° |
| O10 | C9 | O8 | C7 | 13.9° | 0.1° |
| O10 | C9 | N11 | H4 | 177.8° | 175.0° |
| C9 | O8 | C7 | H1 | 132.6° | 60.0° |
| C9 | O8 | C7 | H2 | 89.5° | 60.1° |
| O8 | C9 | N11 | H4 | 2.0° | 5.1° |
| C9 | O8 | C7 | C1 | 21.5° | 180.0° |
| O8 | C7 | H1 | H2 | 141.6° | 120.0° |
| O8 | C7 | H1 | C1 | 76.8° | 120.0° |
| O8 | C7 | H2 | C1 | 76.8° | 120.0° |
| O8 | C7 | C1 | C2 | 90.0° | 90.0° |
| O8 | C7 | C1 | C6 | 90.0° | 90.3° |
| H1 | C7 | H2 | C1 | 141.6° | 120.0° |
| H1 | C7 | C1 | C2 | 90.0° | 30.0° |
| H1 | C7 | C1 | C6 | 90.0° | 149.7° |
| H2 | C7 | C1 | C2 | 90.0° | 150.0° |
| H2 | C7 | C1 | C6 | 90.0° | 29.7° |
| H4 | N11 | C12 | H5 | 128.9° | 149.2° |
| H5 | C12 | C13 | H6 | 177.4° | 68.6° |
| H5 | C12 | C13 | H7 | 58.3° | 171.3° |
| H6 | C13 | C14 | H8 | 68.5° | 173.6° |
| H7 | C13 | C14 | H8 | 172.5° | 66.3° |
| H8 | C14 | C15 | H9 | 61.8° | 55.4° |
| H8 | C14 | C15 | H10 | 58.2° | 64.5° |
| H8 | C14 | C15 | H11 | 178.2° | 175.5° |
| H8 | C14 | C16 | H12 | 59.9° | 60.0° |
| H8 | C14 | C16 | H13 | 179.8° | 60.1° |
| H8 | C14 | C16 | H14 | 60.1° | 180.0° |
| H9 | C15 | H10 | H11 | 120.0° | 120.1° |
| H12 | C16 | H13 | H14 | 120.0° | 120.0° |
| H15 | N19 | C20 | H16 | 167.3° | 145.0° |
| H16 | C20 | C21 | H17 | 161.5° | 55.0° |
| H16 | C20 | C24 | H20 | 176.4° | 175.0° |
| H16 | C20 | C24 | H21 | 57.4° | 65.1° |
| H16 | C20 | C21 | S1 | 84.3° | 175.0° |
| H17 | C21 | O22 | H19 | 71.4° | 179.9° |
| H17 | C21 | S1 | O1 | 90.0° | 176.6° |
| H17 | C21 | S1 | O2 | 90.0° | 46.6° |
| H17 | C21 | S1 | O3 | 90.0° | 65.0° |
| H19 | O22 | C21 | S1 | 19.3° | 60.0° |
| H20 | C24 | C25 | H22 | 61.2° | 176.1° |
| H21 | C24 | C25 | H22 | 179.8° | 63.9° |
| H22 | C25 | C26 | H23 | 25.8° | 98.4° |
| H22 | C25 | C26 | H24 | 147.4° | 25.4° |
| H23 | C26 | C27 | H25 | 99.7° | 24.5° |
| H23 | C26 | C27 | H26 | 20.9° | 97.5° |
| H24 | C26 | C27 | H25 | 21.9° | 148.3° |
| H24 | C26 | C27 | H26 | 142.4° | 26.3° |
| H25 | C27 | N28 | H27 | 51.8° | 78.0° |
| H26 | C27 | N28 | H27 | 68.8° | 44.1° |
| C7 | C1 | C2 | C6 | 90.0° | 179.7° |
| C7 | C1 | C2 | C3 | 90.0° | 180.0° |
| C7 | C1 | C6 | C5 | 90.0° | 179.8° |
| C7 | C1 | C2 | H3 | 90.0° | 0.0° |
| C7 | C1 | C6 | H30 | 90.0° | 0.2° |
| C1 | C2 | C3 | H3 | 90.0° | 180.0° |
| C1 | C2 | C3 | C4 | 90.0° | 0.0° |
| C2 | C1 | C6 | C5 | 90.0° | 0.5° |
| C1 | C2 | C3 | H18 | 90.0° | 179.9° |
| C2 | C1 | C6 | H30 | 90.0° | 179.9° |
| C2 | C3 | C4 | H18 | 90.0° | 179.9° |
| C2 | C3 | C4 | C5 | 90.0° | 0.1° |
| C3 | C2 | C1 | C6 | 90.0° | 0.3° |
| C2 | C3 | C4 | H28 | 90.0° | 180.0° |
| C3 | C4 | C5 | H28 | 90.0° | 179.9° |
| C3 | C4 | C5 | C6 | 90.0° | 0.1° |
| C4 | C3 | C2 | H3 | 90.0° | 180.0° |
| C3 | C4 | C5 | H29 | 90.0° | 180.0° |
| C4 | C5 | C6 | H29 | 90.0° | 179.8° |
| C4 | C5 | C6 | C1 | 90.0° | 0.4° |
| C5 | C4 | C3 | H18 | 90.0° | 180.0° |
| C4 | C5 | C6 | H30 | 90.0° | 180.0° |
| C5 | C6 | C1 | H30 | 90.0° | 179.6° |
| C6 | C5 | C4 | H28 | 90.0° | 179.8° |
| C6 | C1 | C2 | H3 | 90.0° | 179.7° |
| C1 | C6 | C5 | H29 | 90.0° | 179.7° |
| C21 | S1 | O1 | O2 | 90.0° | 131.5° |
| C21 | S1 | O1 | O3 | 90.0° | 111.7° |
| C21 | S1 | O2 | O3 | 90.0° | 111.7° |
| C21 | S1 | O3 | H31 | 90.0° | 180.0° |
| O1 | S1 | O2 | O3 | 90.0° | 116.7° |
| O1 | S1 | O3 | H31 | 90.0° | 63.9° |
| O2 | S1 | O3 | H31 | 90.0° | 63.9° |
| H3 | C2 | C3 | H18 | 90.0° | 0.1° |
| H18 | C3 | C4 | H28 | 90.0° | 0.1° |
| H28 | C4 | C5 | H29 | 90.0° | 0.1° |
| H29 | C5 | C6 | H30 | 90.0° | 0.1° |
