YV6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C29 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C17 | sing | 1.53Å | 1.53Å | |
| O5 | C16 | doub | 1.21Å | 1.22Å | |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C17 | N4 | sing | 1.47Å | 1.45Å | |
| C16 | N3 | sing | 1.35Å | 1.33Å | |
| N4 | C18 | sing | 1.35Å | 1.33Å | |
| O3 | C7 | doub | 1.21Å | 1.22Å | |
| N3 | C8 | sing | 1.47Å | 1.45Å | |
| C6 | N1 | sing | 1.47Å | 1.46Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | O6 | doub | 1.21Å | 1.23Å | |
| C7 | N1 | sing | 1.35Å | 1.33Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| N1 | N2 | sing | 1.37Å | 1.34Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| N2 | C3 | sing | 1.47Å | 1.49Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| O2 | C2 | doub | 1.21Å | 1.22Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.51Å | 1.49Å | |
| O4 | C14 | sing | 1.36Å | 1.35Å | |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C2 | O1 | sing | 1.34Å | 1.44Å | |
| C21 | S1 | sing | 1.81Å | 1.81Å | |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| O1 | C1 | sing | 1.45Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | H24 | sing | 1.09Å | 1.10Å | |
| C5 | H25 | sing | 1.09Å | 1.10Å | |
| C5 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.09Å | 1.10Å | |
| C6 | H28 | sing | 1.09Å | 1.10Å | |
| C8 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å | |
| N2 | H32 | sing | 1.01Å | 1.00Å | |
| N3 | H33 | sing | 0.97Å | 1.00Å | |
| N4 | H34 | sing | 0.97Å | 1.00Å | |
| O4 | H35 | sing | 0.97Å | 0.95Å | |
| S1 | H36 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C29 | 110.0° | 109.4° |
| C28 | C27 | C17 | 113.1° | 109.5° |
| C28 | C27 | H15 | 108.5° | 109.5° |
| C27 | C28 | H16 | 109.5° | 109.5° |
| C27 | C28 | H17 | 109.5° | 109.4° |
| C27 | C28 | H18 | 109.4° | 109.5° |
| C29 | C27 | C17 | 108.3° | 109.4° |
| C29 | C27 | H15 | 108.4° | 109.5° |
| C27 | C29 | H19 | 109.5° | 109.5° |
| C27 | C29 | H20 | 109.5° | 109.5° |
| C27 | C29 | H21 | 109.5° | 109.5° |
| C27 | C17 | C16 | 112.0° | 109.5° |
| C27 | C17 | N4 | 110.9° | 109.5° |
| C27 | C17 | H8 | 108.0° | 109.4° |
| C17 | C27 | H15 | 108.4° | 109.5° |
| O5 | C16 | C17 | 121.7° | 120.0° |
| O5 | C16 | N3 | 122.0° | 120.0° |
| C16 | C17 | N4 | 108.2° | 109.5° |
| C17 | C16 | N3 | 116.2° | 120.0° |
| C16 | C17 | H8 | 108.4° | 109.5° |
| C17 | N4 | C18 | 120.5° | 120.0° |
| N4 | C17 | H8 | 109.2° | 109.5° |
| C17 | N4 | H34 | 119.7° | 120.0° |
| C16 | N3 | C8 | 122.7° | 120.0° |
| C16 | N3 | H33 | 118.7° | 119.9° |
| N4 | C18 | C19 | 115.5° | 120.0° |
| N4 | C18 | O6 | 121.9° | 120.0° |
| C18 | N4 | H34 | 119.7° | 120.0° |
| O3 | C7 | N1 | 122.4° | 119.9° |
| O3 | C7 | C8 | 120.0° | 120.1° |
| N3 | C8 | C7 | 113.2° | 109.4° |
| N3 | C8 | C9 | 109.5° | 109.5° |
| N3 | C8 | H29 | 109.4° | 109.5° |
| C8 | N3 | H33 | 118.6° | 120.0° |
| N1 | C6 | C5 | 106.5° | 108.6° |
| C6 | N1 | C7 | 124.4° | 120.5° |
| C6 | N1 | N2 | 118.0° | 119.0° |
| N1 | C6 | H27 | 110.2° | 109.6° |
| N1 | C6 | H28 | 110.2° | 109.6° |
| C6 | C5 | C4 | 108.4° | 108.9° |
| C6 | C5 | H25 | 109.7° | 109.5° |
| C6 | C5 | H26 | 109.7° | 109.7° |
| C5 | C6 | H27 | 110.2° | 109.6° |
| C5 | C6 | H28 | 110.2° | 109.7° |
| C19 | C18 | O6 | 122.6° | 120.0° |
| C18 | C19 | C20 | 111.4° | 109.4° |
| C18 | C19 | H9 | 109.0° | 109.5° |
| C18 | C19 | H10 | 109.0° | 109.4° |
| N1 | C7 | C8 | 117.7° | 120.0° |
| C7 | N1 | N2 | 117.7° | 120.5° |
| C7 | C8 | C9 | 107.9° | 109.5° |
| C7 | C8 | H29 | 108.6° | 109.5° |
| N1 | N2 | C3 | 110.1° | 110.7° |
| N1 | N2 | H32 | 109.3° | 111.0° |
| C19 | C20 | C21 | 109.6° | 109.5° |
| C20 | C19 | H9 | 109.0° | 109.5° |
| C20 | C19 | H10 | 109.0° | 109.5° |
| C19 | C20 | H11 | 109.4° | 109.4° |
| C19 | C20 | H12 | 109.4° | 109.5° |
| C8 | C9 | C10 | 113.9° | 109.4° |
| C9 | C8 | H29 | 108.3° | 109.5° |
| C8 | C9 | H30 | 108.4° | 109.5° |
| C8 | C9 | H31 | 108.3° | 109.5° |
| N2 | C3 | C4 | 110.0° | 109.4° |
| N2 | C3 | C2 | 108.9° | 109.4° |
| N2 | C3 | H22 | 109.4° | 109.5° |
| C3 | N2 | H32 | 109.3° | 111.0° |
| C5 | C4 | C3 | 110.1° | 109.2° |
| C5 | C4 | H23 | 109.3° | 109.5° |
| C5 | C4 | H24 | 109.3° | 109.6° |
| C4 | C5 | H25 | 109.7° | 109.5° |
| C4 | C5 | H26 | 109.7° | 109.6° |
| O2 | C2 | C3 | 124.1° | 120.0° |
| O2 | C2 | O1 | 118.2° | 120.0° |
| C4 | C3 | C2 | 110.2° | 109.5° |
| C4 | C3 | H22 | 108.9° | 109.5° |
| C3 | C4 | H23 | 109.3° | 109.5° |
| C3 | C4 | H24 | 109.3° | 109.5° |
| C3 | C2 | O1 | 117.7° | 119.9° |
| C2 | C3 | H22 | 109.4° | 109.5° |
| O4 | C14 | C15 | 120.2° | 120.0° |
| O4 | C14 | C13 | 119.9° | 120.1° |
| C14 | O4 | H35 | 109.5° | 114.0° |
| C14 | C15 | C10 | 120.1° | 120.0° |
| C15 | C14 | C13 | 119.8° | 119.9° |
| C14 | C15 | H7 | 119.9° | 120.1° |
| C15 | C10 | C9 | 120.8° | 120.0° |
| C15 | C10 | C11 | 119.9° | 120.0° |
| C10 | C15 | H7 | 120.0° | 120.0° |
| C20 | C21 | S1 | 111.7° | 109.5° |
| C21 | C20 | H11 | 109.4° | 109.5° |
| C21 | C20 | H12 | 109.5° | 109.5° |
| C20 | C21 | H13 | 108.9° | 109.4° |
| C20 | C21 | H14 | 108.9° | 109.5° |
| C9 | C10 | C11 | 119.3° | 120.0° |
| C10 | C9 | H30 | 108.3° | 109.4° |
| C10 | C9 | H31 | 108.3° | 109.4° |
| C2 | O1 | C1 | 118.3° | 117.0° |
| S1 | C21 | H13 | 108.9° | 109.5° |
| S1 | C21 | H14 | 108.9° | 109.5° |
| C21 | S1 | H36 | 102.0° | 103.0° |
| C14 | C13 | C12 | 120.0° | 119.9° |
| C14 | C13 | H6 | 120.0° | 120.0° |
| C10 | C11 | C12 | 120.0° | 120.1° |
| C10 | C11 | H4 | 120.0° | 119.9° |
| C13 | C12 | C11 | 120.2° | 120.0° |
| C13 | C12 | H5 | 119.9° | 120.0° |
| C12 | C13 | H6 | 120.0° | 120.0° |
| C12 | C11 | H4 | 120.0° | 119.9° |
| C11 | C12 | H5 | 119.9° | 120.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H9 | C19 | H10 | 109.5° | 109.5° |
| H11 | C20 | H12 | 109.5° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.5° |
| H16 | C28 | H17 | 109.5° | 109.5° |
| H16 | C28 | H18 | 109.4° | 109.5° |
| H17 | C28 | H18 | 109.5° | 109.4° |
| H19 | C29 | H20 | 109.4° | 109.5° |
| H19 | C29 | H21 | 109.5° | 109.5° |
| H20 | C29 | H21 | 109.5° | 109.5° |
| H23 | C4 | H24 | 109.4° | 109.5° |
| H25 | C5 | H26 | 109.5° | 109.6° |
| H27 | C6 | H28 | 109.5° | 109.8° |
| H30 | C9 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C29 | C17 | 124.1° | 120.0° |
| C28 | C27 | C29 | H15 | 118.5° | 120.0° |
| C28 | C27 | C17 | H15 | 120.4° | 120.0° |
| C28 | C27 | C17 | C16 | 175.0° | 177.8° |
| C28 | C27 | C17 | N4 | 54.0° | 62.2° |
| C28 | C27 | C17 | H8 | 65.7° | 57.8° |
| C27 | C28 | H16 | H17 | 120.0° | 120.0° |
| C27 | C28 | H16 | H18 | 120.0° | 120.0° |
| C27 | C28 | H17 | H18 | 120.0° | 119.9° |
| C28 | C27 | C29 | H19 | 180.0° | 180.0° |
| C28 | C27 | C29 | H20 | 60.0° | 60.0° |
| C28 | C27 | C29 | H21 | 60.0° | 60.0° |
| C29 | C27 | C17 | H15 | 117.4° | 120.0° |
| C29 | C27 | C17 | C16 | 62.9° | 62.3° |
| C29 | C27 | C17 | N4 | 176.1° | 57.7° |
| C29 | C27 | C17 | H8 | 56.5° | 177.7° |
| C29 | C27 | C28 | H16 | 180.0° | 54.1° |
| C29 | C27 | C28 | H17 | 60.0° | 65.9° |
| C29 | C27 | C28 | H18 | 60.0° | 174.1° |
| C27 | C29 | H19 | H20 | 120.0° | 120.0° |
| C27 | C29 | H19 | H21 | 120.0° | 120.0° |
| C27 | C29 | H20 | H21 | 120.0° | 120.0° |
| C27 | C17 | C16 | O5 | 46.9° | 102.4° |
| C27 | C17 | C16 | N4 | 122.6° | 120.0° |
| C27 | C17 | C16 | H8 | 119.1° | 120.0° |
| C27 | C17 | N4 | H8 | 119.0° | 120.0° |
| C27 | C17 | C16 | N3 | 135.2° | 77.7° |
| C27 | C17 | N4 | C18 | 150.0° | 85.0° |
| C17 | C27 | C28 | H16 | 58.7° | 65.9° |
| C17 | C27 | C28 | H17 | 178.8° | 174.1° |
| C17 | C27 | C28 | H18 | 61.2° | 54.1° |
| C17 | C27 | C29 | H19 | 55.9° | 60.0° |
| C17 | C27 | C29 | H20 | 64.1° | 180.0° |
| C17 | C27 | C29 | H21 | 175.9° | 60.0° |
| C27 | C17 | N4 | H34 | 30.0° | 95.1° |
| O5 | C16 | C17 | N3 | 177.9° | 180.0° |
| O5 | C16 | C17 | N4 | 75.7° | 17.6° |
| O5 | C16 | N3 | C8 | 4.3° | 4.9° |
| O5 | C16 | C17 | H8 | 166.0° | 137.6° |
| O5 | C16 | N3 | H33 | 175.7° | 175.1° |
| C16 | C17 | N4 | H8 | 117.8° | 120.0° |
| C16 | C17 | N4 | C18 | 86.8° | 155.0° |
| C17 | C16 | N3 | C8 | 173.6° | 175.1° |
| C16 | C17 | C27 | H15 | 54.6° | 57.7° |
| C17 | C16 | N3 | H33 | 6.4° | 4.9° |
| C16 | C17 | N4 | H34 | 93.2° | 24.9° |
| N4 | C17 | C16 | N3 | 102.2° | 162.4° |
| C17 | N4 | C18 | H34 | 180.0° | 179.9° |
| C17 | N4 | C18 | C19 | 178.2° | 180.0° |
| C17 | N4 | C18 | O6 | 1.3° | 0.0° |
| N4 | C17 | C27 | H15 | 66.4° | 177.7° |
| C16 | N3 | C8 | H33 | 180.0° | 180.0° |
| C16 | N3 | C8 | C7 | 105.8° | 155.0° |
| C16 | N3 | C8 | C9 | 133.8° | 85.1° |
| N3 | C16 | C17 | H8 | 16.1° | 42.3° |
| C16 | N3 | C8 | H29 | 15.4° | 35.0° |
| N4 | C18 | C19 | O6 | 179.4° | 179.9° |
| N4 | C18 | C19 | C20 | 157.9° | 180.0° |
| C18 | N4 | C17 | H8 | 31.0° | 35.0° |
| N4 | C18 | C19 | H9 | 37.6° | 60.0° |
| N4 | C18 | C19 | H10 | 81.9° | 60.0° |
| O3 | C7 | C8 | N3 | 23.8° | 0.0° |
| O3 | C7 | N1 | C6 | 2.5° | 0.0° |
| O3 | C7 | N1 | C8 | 179.6° | 179.9° |
| O3 | C7 | N1 | N2 | 178.1° | 179.9° |
| O3 | C7 | C8 | C9 | 97.4° | 119.9° |
| O3 | C7 | C8 | H29 | 145.4° | 120.0° |
| N3 | C8 | C7 | N1 | 155.8° | 180.0° |
| N3 | C8 | C7 | C9 | 121.3° | 120.0° |
| N3 | C8 | C7 | H29 | 121.6° | 120.0° |
| N3 | C8 | C9 | H29 | 119.1° | 120.0° |
| N3 | C8 | C9 | C10 | 91.1° | 65.0° |
| N3 | C8 | C9 | H30 | 29.5° | 175.0° |
| N3 | C8 | C9 | H31 | 148.2° | 54.9° |
| N1 | C6 | C5 | H27 | 119.5° | 119.7° |
| N1 | C6 | C5 | H28 | 119.5° | 119.7° |
| C6 | N1 | C7 | N2 | 179.4° | 180.0° |
| C6 | N1 | C7 | C8 | 177.1° | 180.0° |
| C6 | N1 | N2 | C3 | 60.9° | 56.5° |
| N1 | C6 | C5 | C4 | 55.5° | 51.8° |
| N1 | C6 | C5 | H25 | 64.3° | 171.6° |
| N1 | C6 | C5 | H26 | 175.4° | 68.1° |
| N1 | C6 | H27 | H28 | 121.4° | 120.4° |
| C6 | N1 | N2 | H32 | 59.2° | 67.3° |
| C5 | C6 | N1 | C7 | 119.4° | 126.2° |
| C5 | C6 | N1 | N2 | 61.2° | 53.8° |
| C6 | C5 | C4 | H25 | 119.8° | 119.8° |
| C6 | C5 | C4 | H26 | 119.8° | 120.0° |
| C6 | C5 | C4 | C3 | 56.9° | 57.7° |
| C6 | C5 | C4 | H23 | 177.0° | 62.2° |
| C6 | C5 | C4 | H24 | 63.2° | 177.6° |
| C6 | C5 | H25 | H26 | 120.5° | 120.4° |
| C5 | C6 | H27 | H28 | 121.4° | 120.5° |
| C18 | C19 | C20 | H9 | 120.3° | 120.0° |
| C18 | C19 | C20 | H10 | 120.3° | 119.9° |
| C18 | C19 | C20 | C21 | 165.2° | 180.0° |
| C18 | C19 | H9 | H10 | 119.1° | 120.0° |
| C18 | C19 | C20 | H11 | 74.8° | 60.0° |
| C18 | C19 | C20 | H12 | 45.2° | 60.0° |
| C19 | C18 | N4 | H34 | 1.8° | 0.0° |
| O6 | C18 | C19 | C20 | 21.6° | 0.0° |
| O6 | C18 | C19 | H9 | 141.9° | 119.9° |
| O6 | C18 | C19 | H10 | 98.7° | 120.0° |
| O6 | C18 | N4 | H34 | 178.7° | 179.9° |
| N1 | C7 | C8 | C9 | 82.9° | 60.0° |
| C7 | N1 | N2 | C3 | 119.7° | 123.5° |
| C7 | N1 | C6 | H27 | 0.1° | 114.1° |
| C7 | N1 | C6 | H28 | 121.1° | 6.4° |
| N1 | C7 | C8 | H29 | 34.2° | 60.1° |
| C7 | N1 | N2 | H32 | 120.2° | 112.8° |
| C8 | C7 | N1 | N2 | 2.3° | 0.0° |
| C7 | C8 | C9 | H29 | 117.3° | 120.0° |
| C7 | C8 | C9 | C10 | 145.3° | 175.0° |
| C7 | C8 | C9 | H30 | 94.0° | 55.1° |
| C7 | C8 | C9 | H31 | 24.7° | 65.0° |
| C7 | C8 | N3 | H33 | 74.2° | 25.0° |
| N1 | N2 | C3 | H32 | 120.1° | 123.7° |
| N1 | N2 | C3 | C4 | 55.0° | 56.9° |
| N1 | N2 | C3 | C2 | 175.9° | 176.8° |
| N1 | N2 | C3 | H22 | 64.6° | 63.1° |
| N2 | N1 | C6 | H27 | 179.3° | 65.9° |
| N2 | N1 | C6 | H28 | 58.3° | 173.5° |
| C19 | C20 | C21 | H11 | 120.0° | 120.0° |
| C19 | C20 | C21 | H12 | 120.0° | 120.0° |
| C19 | C20 | C21 | S1 | 174.6° | 180.0° |
| C20 | C19 | H9 | H10 | 119.1° | 120.0° |
| C19 | C20 | H11 | H12 | 119.9° | 120.0° |
| C19 | C20 | C21 | H13 | 54.3° | 60.0° |
| C19 | C20 | C21 | H14 | 65.0° | 60.0° |
| C8 | C9 | C10 | C15 | 47.6° | 90.2° |
| C8 | C9 | C10 | H30 | 120.7° | 119.9° |
| C8 | C9 | C10 | H31 | 120.6° | 120.0° |
| C8 | C9 | C10 | C11 | 131.6° | 90.0° |
| C8 | C9 | H30 | H31 | 118.0° | 120.1° |
| C9 | C8 | N3 | H33 | 46.2° | 95.0° |
| N2 | C3 | C4 | C5 | 55.5° | 59.7° |
| N2 | C3 | C2 | O2 | 28.1° | 19.9° |
| N2 | C3 | C4 | C2 | 120.1° | 119.9° |
| N2 | C3 | C4 | H22 | 119.9° | 120.0° |
| N2 | C3 | C2 | H22 | 119.6° | 120.0° |
| N2 | C3 | C2 | O1 | 150.9° | 160.0° |
| N2 | C3 | C4 | H23 | 175.6° | 60.2° |
| N2 | C3 | C4 | H24 | 64.6° | 179.7° |
| C5 | C4 | C3 | H23 | 120.1° | 119.9° |
| C5 | C4 | C3 | H24 | 120.1° | 120.0° |
| C5 | C4 | C3 | C2 | 175.6° | 179.7° |
| C5 | C4 | C3 | H22 | 64.4° | 60.3° |
| C5 | C4 | H23 | H24 | 119.7° | 120.2° |
| C4 | C5 | H25 | H26 | 120.5° | 120.2° |
| C4 | C5 | C6 | H27 | 175.1° | 67.9° |
| C4 | C5 | C6 | H28 | 64.0° | 171.5° |
| O2 | C2 | C3 | C4 | 92.6° | 100.0° |
| O2 | C2 | C3 | O1 | 179.0° | 179.9° |
| O2 | C2 | O1 | C1 | 0.3° | 0.0° |
| O2 | C2 | C3 | H22 | 147.7° | 140.0° |
| C4 | C3 | C2 | H22 | 119.7° | 120.0° |
| C4 | C3 | C2 | O1 | 88.4° | 80.1° |
| C3 | C4 | H23 | H24 | 119.7° | 120.1° |
| C3 | C4 | C5 | H25 | 62.9° | 177.5° |
| C3 | C4 | C5 | H26 | 176.8° | 62.3° |
| C4 | C3 | N2 | H32 | 65.1° | 66.8° |
| C3 | C2 | O1 | C1 | 179.4° | 180.0° |
| C2 | C3 | C4 | H23 | 64.3° | 59.7° |
| C2 | C3 | C4 | H24 | 55.5° | 60.3° |
| C2 | C3 | N2 | H32 | 55.8° | 53.1° |
| O4 | C14 | C15 | C13 | 179.2° | 179.9° |
| O4 | C14 | C15 | C10 | 179.6° | 180.0° |
| O4 | C14 | C13 | C12 | 179.9° | 180.0° |
| O4 | C14 | C13 | H6 | 0.1° | 0.0° |
| O4 | C14 | C15 | H7 | 0.4° | 0.1° |
| C14 | C15 | C10 | H7 | 180.0° | 180.0° |
| C14 | C15 | C10 | C9 | 179.7° | 179.7° |
| C14 | C15 | C10 | C11 | 1.1° | 0.0° |
| C15 | C14 | C13 | C12 | 0.7° | 0.0° |
| C15 | C14 | C13 | H6 | 179.3° | 180.0° |
| C15 | C14 | O4 | H35 | 180.0° | 90.1° |
| C15 | C10 | C9 | C11 | 179.2° | 179.7° |
| C10 | C15 | C14 | C13 | 1.2° | 0.0° |
| C15 | C10 | C11 | C12 | 0.5° | 0.0° |
| C15 | C10 | C11 | H4 | 179.5° | 180.0° |
| C15 | C10 | C9 | H30 | 73.1° | 29.7° |
| C15 | C10 | C9 | H31 | 168.2° | 149.7° |
| C20 | C21 | S1 | H13 | 120.3° | 120.0° |
| C20 | C21 | S1 | H14 | 120.3° | 120.0° |
| C21 | C20 | C19 | H9 | 44.9° | 60.0° |
| C21 | C20 | C19 | H10 | 74.5° | 60.0° |
| C21 | C20 | H11 | H12 | 120.0° | 120.0° |
| C20 | C21 | H13 | H14 | 119.0° | 120.0° |
| C20 | C21 | S1 | H36 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 179.7° | 179.7° |
| C9 | C10 | C11 | H4 | 0.3° | 0.3° |
| C9 | C10 | C15 | H7 | 0.3° | 0.3° |
| C10 | C9 | C8 | H29 | 28.0° | 55.0° |
| C10 | C9 | H30 | H31 | 118.0° | 120.0° |
| C2 | O1 | C1 | H1 | 180.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| O1 | C2 | C3 | H22 | 31.3° | 40.0° |
| S1 | C21 | C20 | H11 | 65.4° | 60.0° |
| S1 | C21 | C20 | H12 | 54.6° | 60.0° |
| S1 | C21 | H13 | H14 | 119.0° | 120.0° |
| C14 | C13 | C12 | H6 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.0° |
| C14 | C13 | C12 | H5 | 179.9° | 180.0° |
| C13 | C14 | C15 | H7 | 178.8° | 180.0° |
| C13 | C14 | O4 | H35 | 0.8° | 90.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C10 | C11 | C12 | H4 | 180.0° | 180.0° |
| C10 | C11 | C12 | H5 | 180.0° | 180.0° |
| C11 | C10 | C15 | H7 | 178.9° | 180.0° |
| C11 | C10 | C9 | H30 | 107.7° | 150.0° |
| C11 | C10 | C9 | H31 | 11.0° | 30.0° |
| C13 | C12 | C11 | H5 | 180.0° | 180.0° |
| C13 | C12 | C11 | H4 | 180.0° | 180.0° |
| C11 | C12 | C13 | H6 | 179.9° | 180.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C11 | C12 | H5 | 0.0° | 0.0° |
| H5 | C12 | C13 | H6 | 0.1° | 0.0° |
| H8 | C17 | C27 | H15 | 173.9° | 62.3° |
| H8 | C17 | N4 | H34 | 149.0° | 145.0° |
| H9 | C19 | C20 | H11 | 164.9° | 180.0° |
| H9 | C19 | C20 | H12 | 75.1° | 60.0° |
| H10 | C19 | C20 | H11 | 45.5° | 60.0° |
| H10 | C19 | C20 | H12 | 165.5° | 179.9° |
| H11 | C20 | C21 | H13 | 174.3° | 180.0° |
| H11 | C20 | C21 | H14 | 55.0° | 60.0° |
| H12 | C20 | C21 | H13 | 65.7° | 60.0° |
| H12 | C20 | C21 | H14 | 175.0° | NaN° |
| H13 | C21 | S1 | H36 | 59.7° | 60.0° |
| H14 | C21 | S1 | H36 | 59.6° | 60.0° |
| H15 | C27 | C28 | H16 | 61.6° | 174.1° |
| H15 | C27 | C28 | H17 | 58.4° | 54.0° |
| H15 | C27 | C28 | H18 | 178.4° | 65.9° |
| H15 | C27 | C29 | H19 | 61.6° | 60.0° |
| H15 | C27 | C29 | H20 | 178.5° | 60.0° |
| H15 | C27 | C29 | H21 | 58.5° | 180.0° |
| H16 | C28 | H17 | H18 | 120.0° | 120.0° |
| H19 | C29 | H20 | H21 | 120.0° | 120.1° |
| H22 | C3 | C4 | H23 | 55.7° | 179.8° |
| H22 | C3 | C4 | H24 | 175.5° | 59.7° |
| H22 | C3 | N2 | H32 | 175.3° | 173.2° |
| H23 | C4 | C5 | H25 | 57.2° | 57.6° |
| H23 | C4 | C5 | H26 | 63.1° | 177.8° |
| H24 | C4 | C5 | H25 | 177.0° | 62.6° |
| H24 | C4 | C5 | H26 | 56.6° | 57.6° |
| H25 | C5 | C6 | H27 | 55.2° | 51.8° |
| H25 | C5 | C6 | H28 | 176.2° | 68.7° |
| H26 | C5 | C6 | H27 | 65.1° | 172.2° |
| H26 | C5 | C6 | H28 | 55.8° | 51.6° |
| H29 | C8 | C9 | H30 | 148.6° | 64.9° |
| H29 | C8 | C9 | H31 | 92.7° | 174.9° |
| H29 | C8 | N3 | H33 | 164.6° | 145.0° |
