VQC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C13 | sing | 1.53Å | 1.54Å | |
| C | C5 | sing | 1.53Å | 1.57Å | |
| O16 | C16 | doub | 1.21Å | 1.24Å | |
| C13 | C14 | sing | 1.50Å | 1.56Å | |
| C13 | C16 | sing | 1.50Å | 1.43Å | |
| C13 | C12 | sing | 1.55Å | 1.48Å | |
| C14 | C11 | sing | 1.54Å | 1.55Å | |
| C11 | C7 | sing | 1.53Å | 1.50Å | |
| C16 | C18 | sing | 1.53Å | 1.41Å | |
| C5 | C7 | sing | 1.52Å | 1.61Å | |
| C5 | C10 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.50Å | 1.45Å | |
| C18 | C17 | sing | 1.57Å | 1.52Å | |
| C9 | C7 | sing | 1.54Å | 1.52Å | |
| C9 | C12 | sing | 1.52Å | 1.54Å | |
| C9 | C8 | sing | 1.54Å | 1.52Å | |
| C17 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C1 | sing | 1.53Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.52Å | 1.45Å | |
| C4 | C6 | doub | 1.30Å | 1.40Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C8 | C6 | sing | 1.50Å | 1.46Å | |
| C2 | O25 | sing | 1.43Å | 1.49Å | |
| O25 | S22 | sing | 1.52Å | 1.55Å | |
| N19 | S22 | sing | 1.66Å | 1.51Å | |
| O20 | S22 | doub | 1.42Å | 1.46Å | |
| S22 | O21 | doub | 1.42Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å | |
| C | H26 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| N19 | H28 | sing | 0.97Å | 1.00Å | |
| N19 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C13 | C14 | 109.9° | 109.7° |
| C15 | C13 | C16 | 105.9° | 109.7° |
| C15 | C13 | C12 | 114.4° | 109.3° |
| C13 | C15 | H18 | 109.5° | 109.5° |
| C13 | C15 | H19 | 109.5° | 109.5° |
| C13 | C15 | H20 | 109.4° | 109.5° |
| C | C5 | C7 | 109.8° | 108.2° |
| C | C5 | C10 | 112.0° | 108.1° |
| C | C5 | C4 | 107.0° | 107.6° |
| C5 | C | H25 | 109.5° | 109.4° |
| C5 | C | H26 | 109.5° | 109.5° |
| C5 | C | H27 | 109.5° | 109.4° |
| O16 | C16 | C13 | 123.6° | 127.0° |
| O16 | C16 | C18 | 123.9° | 127.0° |
| C14 | C13 | C16 | 119.5° | 116.8° |
| C14 | C13 | C12 | 107.6° | 107.3° |
| C13 | C14 | C11 | 114.1° | 107.3° |
| C13 | C14 | H16 | 108.3° | 110.0° |
| C13 | C14 | H17 | 108.3° | 109.9° |
| C16 | C13 | C12 | 99.6° | 103.6° |
| C13 | C16 | C18 | 112.0° | 106.0° |
| C13 | C12 | C9 | 113.4° | 107.2° |
| C13 | C12 | C17 | 101.8° | 102.1° |
| C13 | C12 | H15 | 108.2° | 110.7° |
| C14 | C11 | C7 | 115.3° | 111.7° |
| C14 | C11 | H13 | 108.0° | 109.0° |
| C14 | C11 | H14 | 108.0° | 109.0° |
| C11 | C14 | H16 | 108.3° | 109.8° |
| C11 | C14 | H17 | 108.3° | 109.8° |
| C11 | C7 | C5 | 112.0° | 109.7° |
| C11 | C7 | C9 | 115.4° | 111.4° |
| C11 | C7 | H7 | 106.5° | 108.4° |
| C7 | C11 | H13 | 108.0° | 109.0° |
| C7 | C11 | H14 | 108.0° | 109.1° |
| C16 | C18 | C17 | 104.6° | 107.0° |
| C16 | C18 | H23 | 110.6° | 110.0° |
| C16 | C18 | H24 | 110.7° | 110.0° |
| C7 | C5 | C10 | 107.8° | 110.0° |
| C7 | C5 | C4 | 110.1° | 113.3° |
| C5 | C7 | C9 | 110.5° | 110.5° |
| C5 | C7 | H7 | 105.4° | 108.4° |
| C10 | C5 | C4 | 110.1° | 109.4° |
| C5 | C10 | C1 | 113.8° | 109.4° |
| C5 | C10 | H11 | 108.4° | 109.5° |
| C5 | C10 | H12 | 108.4° | 109.5° |
| C5 | C4 | C3 | 118.5° | 117.9° |
| C5 | C4 | C6 | 119.4° | 123.9° |
| C18 | C17 | C12 | 100.6° | 101.8° |
| C18 | C17 | H21 | 111.7° | 110.9° |
| C18 | C17 | H22 | 111.6° | 111.5° |
| C17 | C18 | H23 | 110.7° | 109.5° |
| C17 | C18 | H24 | 110.7° | 110.1° |
| C7 | C9 | C12 | 108.6° | 107.6° |
| C7 | C9 | C8 | 106.0° | 107.6° |
| C9 | C7 | H7 | 106.3° | 108.4° |
| C7 | C9 | H10 | 111.5° | 110.3° |
| C12 | C9 | C8 | 107.7° | 109.3° |
| C9 | C12 | C17 | 117.8° | 115.6° |
| C12 | C9 | H10 | 111.3° | 110.2° |
| C9 | C12 | H15 | 107.6° | 110.4° |
| C9 | C8 | C6 | 111.7° | 109.1° |
| C9 | C8 | H8 | 108.9° | 109.4° |
| C9 | C8 | H9 | 108.9° | 109.9° |
| C8 | C9 | H10 | 111.5° | 111.8° |
| C17 | C12 | H15 | 107.6° | 110.5° |
| C12 | C17 | H21 | 111.6° | 110.8° |
| C12 | C17 | H22 | 111.7° | 110.8° |
| C10 | C1 | C2 | 105.3° | 109.7° |
| C10 | C1 | H1 | 110.5° | 109.4° |
| C10 | C1 | H2 | 110.5° | 109.4° |
| C1 | C10 | H11 | 108.4° | 109.5° |
| C1 | C10 | H12 | 108.4° | 109.5° |
| C1 | C2 | C3 | 108.0° | 109.5° |
| C1 | C2 | O25 | 108.5° | 109.4° |
| C2 | C1 | H1 | 110.5° | 109.5° |
| C2 | C1 | H2 | 110.5° | 109.5° |
| C1 | C2 | H3 | 109.4° | 109.5° |
| C3 | C4 | C6 | 122.0° | 118.2° |
| C4 | C3 | C2 | 110.6° | 108.3° |
| C4 | C3 | H4 | 109.2° | 109.7° |
| C4 | C3 | H5 | 109.2° | 109.7° |
| C4 | C6 | C8 | 127.4° | 123.0° |
| C4 | C6 | H6 | 116.3° | 118.5° |
| C3 | C2 | O25 | 112.3° | 109.5° |
| C3 | C2 | H3 | 108.9° | 109.5° |
| C2 | C3 | H4 | 109.2° | 109.7° |
| C2 | C3 | H5 | 109.2° | 109.7° |
| C8 | C6 | H6 | 116.3° | 118.5° |
| C6 | C8 | H8 | 108.9° | 109.5° |
| C6 | C8 | H9 | 108.9° | 109.5° |
| C2 | O25 | S22 | 124.1° | 114.0° |
| O25 | C2 | H3 | 109.6° | 109.5° |
| O25 | S22 | N19 | 99.0° | 107.2° |
| O25 | S22 | O20 | 106.5° | 106.4° |
| O25 | S22 | O21 | 108.7° | 106.4° |
| N19 | S22 | O20 | 115.7° | 106.4° |
| N19 | S22 | O21 | 112.1° | 106.4° |
| S22 | N19 | H28 | 109.5° | 120.0° |
| S22 | N19 | H29 | 109.5° | 120.0° |
| O20 | S22 | O21 | 113.5° | 123.1° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.7° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.0° |
| H16 | C14 | H17 | 109.5° | 109.9° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H18 | C15 | H20 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.4° | 110.7° |
| H23 | C18 | H24 | 109.5° | 110.1° |
| H25 | C | H26 | 109.5° | 109.6° |
| H25 | C | H27 | 109.5° | 109.5° |
| H26 | C | H27 | 109.5° | 109.5° |
| H28 | N19 | H29 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C13 | C16 | O16 | 86.3° | 92.8° |
| C15 | C13 | C14 | C16 | 122.6° | 125.6° |
| C15 | C13 | C14 | C12 | 125.1° | 118.7° |
| C15 | C13 | C16 | C12 | 118.9° | 116.6° |
| C15 | C13 | C14 | C11 | 75.2° | 54.0° |
| C15 | C13 | C16 | C18 | 85.9° | 87.2° |
| C15 | C13 | C12 | C9 | 60.0° | 48.9° |
| C15 | C13 | C12 | C17 | 67.6° | 72.9° |
| C15 | C13 | C12 | H15 | 179.2° | 169.4° |
| C15 | C13 | C14 | H16 | 45.5° | 173.4° |
| C15 | C13 | C14 | H17 | 164.1° | 65.5° |
| C13 | C15 | H18 | H19 | 120.0° | 120.0° |
| C13 | C15 | H18 | H20 | 120.0° | 120.0° |
| C13 | C15 | H19 | H20 | 120.0° | 120.0° |
| C | C5 | C7 | C11 | 64.1° | 41.3° |
| C | C5 | C7 | C10 | 122.3° | 117.9° |
| C | C5 | C7 | C4 | 117.5° | 119.3° |
| C | C5 | C10 | C4 | 118.9° | 116.9° |
| C | C5 | C7 | C9 | 66.0° | 81.9° |
| C | C5 | C10 | C1 | 68.8° | 62.6° |
| C | C5 | C4 | C3 | 78.8° | 66.0° |
| C | C5 | C4 | C6 | 103.4° | 113.8° |
| C | C5 | C7 | H7 | 179.5° | 159.5° |
| C | C5 | C10 | H11 | 51.8° | 177.4° |
| C | C5 | C10 | H12 | 170.5° | 57.4° |
| C5 | C | H25 | H26 | 120.0° | 120.0° |
| C5 | C | H25 | H27 | 120.0° | 119.9° |
| C5 | C | H26 | H27 | 120.0° | 119.9° |
| O16 | C16 | C13 | C14 | 38.2° | 32.8° |
| O16 | C16 | C13 | C18 | 172.2° | 180.0° |
| O16 | C16 | C13 | C12 | 154.8° | 150.6° |
| O16 | C16 | C18 | C17 | 179.1° | 175.7° |
| O16 | C16 | C18 | H23 | 61.7° | 56.7° |
| O16 | C16 | C18 | H24 | 59.8° | 64.7° |
| C14 | C13 | C16 | C12 | 116.6° | 117.7° |
| C13 | C14 | C11 | H16 | 120.7° | 119.5° |
| C13 | C14 | C11 | H17 | 120.7° | 119.5° |
| C13 | C14 | C11 | C7 | 40.3° | 57.7° |
| C14 | C13 | C16 | C18 | 149.6° | 147.2° |
| C14 | C13 | C12 | C9 | 62.4° | 70.0° |
| C14 | C13 | C12 | C17 | 170.1° | 168.1° |
| C13 | C14 | C11 | H13 | 80.6° | 178.2° |
| C13 | C14 | C11 | H14 | 161.1° | 62.9° |
| C14 | C13 | C12 | H15 | 56.8° | 50.5° |
| C13 | C14 | H16 | H17 | 117.9° | 121.2° |
| C14 | C13 | C15 | H18 | 180.0° | 56.0° |
| C14 | C13 | C15 | H19 | 60.0° | 176.0° |
| C14 | C13 | C15 | H20 | 60.0° | 64.0° |
| C16 | C13 | C14 | C11 | 162.2° | 179.6° |
| C13 | C16 | C18 | C17 | 6.9° | 4.3° |
| C16 | C13 | C12 | C9 | 172.4° | 165.8° |
| C16 | C13 | C12 | C17 | 44.8° | 44.0° |
| C16 | C13 | C12 | H15 | 68.4° | 73.7° |
| C16 | C13 | C14 | H16 | 77.1° | 61.0° |
| C16 | C13 | C14 | H17 | 41.5° | 60.2° |
| C16 | C13 | C15 | H18 | 49.7° | 174.5° |
| C16 | C13 | C15 | H19 | 70.3° | 54.5° |
| C16 | C13 | C15 | H20 | 169.7° | 65.5° |
| C13 | C16 | C18 | H23 | 126.1° | 123.3° |
| C13 | C16 | C18 | H24 | 112.4° | 115.3° |
| C12 | C13 | C14 | C11 | 49.9° | 64.8° |
| C12 | C13 | C16 | C18 | 33.0° | 29.5° |
| C13 | C12 | C17 | C18 | 41.3° | 40.0° |
| C13 | C12 | C9 | C7 | 62.3° | 64.0° |
| C13 | C12 | C9 | C17 | 118.7° | 113.0° |
| C13 | C12 | C9 | H15 | 119.6° | 120.6° |
| C13 | C12 | C9 | C8 | 176.6° | 179.5° |
| C13 | C12 | C17 | H15 | 113.7° | 117.8° |
| C13 | C12 | C9 | H10 | 61.0° | 56.3° |
| C12 | C13 | C14 | H16 | 170.6° | 54.7° |
| C12 | C13 | C14 | H17 | 70.8° | 175.8° |
| C12 | C13 | C15 | H18 | 58.9° | 61.5° |
| C12 | C13 | C15 | H19 | 178.9° | 58.5° |
| C12 | C13 | C15 | H20 | 61.1° | 178.5° |
| C13 | C12 | C17 | H21 | 159.8° | 78.0° |
| C13 | C12 | C17 | H22 | 77.3° | 158.6° |
| C14 | C11 | C7 | H13 | 120.9° | 120.5° |
| C14 | C11 | C7 | H14 | 120.9° | 120.6° |
| C14 | C11 | C7 | C5 | 167.7° | 176.8° |
| C14 | C11 | C7 | C9 | 40.1° | 54.2° |
| C14 | C11 | C7 | H7 | 77.6° | 65.0° |
| C14 | C11 | H13 | H14 | 117.4° | 118.9° |
| C11 | C14 | H16 | H17 | 117.9° | 121.0° |
| C11 | C7 | C5 | C9 | 130.2° | 123.2° |
| C11 | C7 | C5 | H7 | 115.4° | 118.3° |
| C11 | C7 | C5 | C10 | 58.2° | 76.6° |
| C11 | C7 | C5 | C4 | 178.4° | 160.6° |
| C11 | C7 | C9 | H7 | 117.9° | 119.2° |
| C11 | C7 | C9 | C12 | 48.7° | 56.8° |
| C11 | C7 | C9 | C8 | 164.1° | 174.5° |
| C11 | C7 | C9 | H10 | 74.4° | 63.4° |
| C7 | C11 | H13 | H14 | 117.3° | 118.9° |
| C7 | C11 | C14 | H16 | 160.9° | 61.8° |
| C7 | C11 | C14 | H17 | 80.4° | 177.2° |
| C16 | C18 | C17 | H23 | 119.2° | 119.3° |
| C16 | C18 | C17 | H24 | 119.2° | 119.6° |
| C16 | C18 | C17 | C12 | 21.5° | 22.6° |
| C16 | C18 | C17 | H21 | 140.0° | 95.3° |
| C16 | C18 | C17 | H22 | 97.1° | 140.8° |
| C16 | C18 | H23 | H24 | 122.2° | 121.4° |
| C7 | C5 | C10 | C4 | 120.2° | 125.1° |
| C5 | C7 | C9 | H7 | 113.9° | 118.6° |
| C5 | C7 | C9 | C12 | 177.0° | 179.0° |
| C5 | C7 | C9 | C8 | 67.6° | 63.3° |
| C7 | C5 | C10 | C1 | 170.3° | 179.4° |
| C7 | C5 | C4 | C3 | 162.0° | 174.4° |
| C7 | C5 | C4 | C6 | 15.8° | 5.7° |
| C5 | C7 | C9 | H10 | 53.9° | 58.8° |
| C7 | C5 | C10 | H11 | 69.0° | 59.5° |
| C7 | C5 | C10 | H12 | 49.7° | 60.6° |
| C5 | C7 | C11 | H13 | 46.8° | 62.7° |
| C5 | C7 | C11 | H14 | 71.4° | 56.2° |
| C7 | C5 | C | H25 | 180.0° | 59.9° |
| C7 | C5 | C | H26 | 60.0° | 180.0° |
| C7 | C5 | C | H27 | 60.0° | 60.0° |
| C10 | C5 | C7 | C9 | 171.7° | 160.3° |
| C5 | C10 | C1 | H11 | 120.6° | 120.0° |
| C5 | C10 | C1 | H12 | 120.6° | 120.0° |
| C5 | C10 | C1 | C2 | 62.3° | 62.8° |
| C10 | C5 | C4 | C3 | 43.2° | 51.2° |
| C10 | C5 | C4 | C6 | 134.6° | 128.9° |
| C5 | C10 | C1 | H1 | 57.1° | 177.1° |
| C5 | C10 | C1 | H2 | 178.3° | 57.3° |
| C10 | C5 | C7 | H7 | 57.2° | 41.7° |
| C5 | C10 | H11 | H12 | 118.0° | 120.1° |
| C10 | C5 | C | H25 | 60.3° | 59.2° |
| C10 | C5 | C | H26 | 179.7° | 60.9° |
| C10 | C5 | C | H27 | 59.7° | 179.1° |
| C4 | C5 | C7 | C9 | 51.5° | 37.4° |
| C4 | C5 | C10 | C1 | 50.1° | 54.3° |
| C5 | C4 | C3 | C6 | 177.7° | 179.8° |
| C5 | C4 | C3 | C2 | 48.9° | 51.5° |
| C5 | C4 | C6 | C8 | 1.6° | 0.5° |
| C5 | C4 | C3 | H4 | 169.1° | 68.2° |
| C5 | C4 | C3 | H5 | 71.2° | 171.2° |
| C5 | C4 | C6 | H6 | 178.4° | 179.4° |
| C4 | C5 | C7 | H7 | 63.0° | 81.2° |
| C4 | C5 | C10 | H11 | 170.8° | 65.7° |
| C4 | C5 | C10 | H12 | 70.5° | 174.3° |
| C4 | C5 | C | H25 | 60.5° | 177.3° |
| C4 | C5 | C | H26 | 59.5° | 57.2° |
| C4 | C5 | C | H27 | 179.5° | 62.8° |
| C18 | C17 | C12 | C9 | 165.9° | 155.9° |
| C18 | C17 | C12 | H21 | 118.6° | 118.0° |
| C18 | C17 | C12 | H22 | 118.6° | 118.7° |
| C18 | C17 | C12 | H15 | 72.4° | 77.8° |
| C18 | C17 | H21 | H22 | 124.1° | 124.3° |
| C17 | C18 | H23 | H24 | 122.3° | 121.2° |
| C7 | C9 | C12 | C8 | 114.3° | 116.5° |
| C7 | C9 | C12 | H10 | 123.2° | 120.3° |
| C7 | C9 | C8 | H10 | 121.5° | 121.2° |
| C7 | C9 | C12 | C17 | 179.1° | 177.0° |
| C7 | C9 | C8 | C6 | 48.0° | 56.5° |
| C7 | C9 | C8 | H8 | 72.3° | 176.2° |
| C7 | C9 | C8 | H9 | 168.3° | 63.5° |
| C9 | C7 | C11 | H13 | 80.7° | 174.7° |
| C9 | C7 | C11 | H14 | 161.0° | 66.4° |
| C7 | C9 | C12 | H15 | 57.3° | 56.7° |
| C12 | C9 | C8 | H10 | 122.4° | 122.3° |
| C9 | C12 | C17 | H15 | 121.7° | 126.3° |
| C12 | C9 | C8 | C6 | 164.1° | 173.0° |
| C12 | C9 | C7 | H7 | 69.2° | 62.4° |
| C12 | C9 | C8 | H8 | 43.8° | 67.2° |
| C12 | C9 | C8 | H9 | 75.6° | 53.0° |
| C9 | C12 | C17 | H21 | 75.5° | 37.9° |
| C9 | C12 | C17 | H22 | 47.3° | 85.4° |
| C8 | C9 | C12 | C17 | 64.7° | 66.5° |
| C9 | C8 | C6 | C4 | 15.2° | 26.7° |
| C9 | C8 | C6 | H8 | 120.3° | 119.7° |
| C9 | C8 | C6 | H9 | 120.4° | 120.3° |
| C9 | C8 | C6 | H6 | 164.9° | 153.2° |
| C8 | C9 | C7 | H7 | 46.3° | 55.3° |
| C9 | C8 | H8 | H9 | 119.0° | 120.4° |
| C8 | C9 | C12 | H15 | 57.0° | 59.9° |
| C17 | C12 | C9 | H10 | 57.7° | 56.7° |
| C12 | C17 | H21 | H22 | 124.1° | 123.4° |
| C12 | C17 | C18 | H23 | 97.7° | 96.7° |
| C12 | C17 | C18 | H24 | 140.7° | 142.2° |
| C10 | C1 | C2 | H1 | 119.4° | 120.0° |
| C10 | C1 | C2 | H2 | 119.4° | 120.0° |
| C10 | C1 | C2 | C3 | 64.7° | 63.8° |
| C10 | C1 | C2 | O25 | 173.3° | 176.3° |
| C10 | C1 | H1 | H2 | 121.9° | 119.8° |
| C10 | C1 | C2 | H3 | 53.7° | 56.3° |
| C1 | C10 | H11 | H12 | 118.0° | 120.0° |
| C1 | C2 | C3 | C4 | 58.8° | 55.2° |
| C1 | C2 | C3 | O25 | 119.7° | 120.0° |
| C1 | C2 | C3 | H3 | 118.7° | 120.0° |
| C1 | C2 | O25 | H3 | 119.4° | 120.0° |
| C1 | C2 | O25 | S22 | 158.9° | 96.7° |
| C2 | C1 | H1 | H2 | 121.9° | 120.0° |
| C1 | C2 | C3 | H4 | 179.0° | 64.5° |
| C1 | C2 | C3 | H5 | 61.4° | 174.9° |
| C2 | C1 | C10 | H11 | 177.1° | 57.2° |
| C2 | C1 | C10 | H12 | 58.3° | 177.2° |
| C4 | C3 | C2 | H4 | 120.2° | 119.7° |
| C4 | C3 | C2 | H5 | 120.2° | 119.7° |
| C3 | C4 | C6 | C8 | 179.4° | 179.7° |
| C4 | C3 | C2 | O25 | 178.5° | 175.2° |
| C4 | C3 | C2 | H3 | 59.9° | 64.8° |
| C4 | C3 | H4 | H5 | 119.5° | 120.5° |
| C3 | C4 | C6 | H6 | 0.6° | 0.4° |
| C6 | C4 | C3 | C2 | 128.8° | 128.6° |
| C4 | C6 | C8 | H6 | 180.0° | 179.9° |
| C6 | C4 | C3 | H4 | 8.7° | 111.6° |
| C6 | C4 | C3 | H5 | 111.0° | 8.9° |
| C4 | C6 | C8 | H8 | 105.1° | 146.4° |
| C4 | C6 | C8 | H9 | 135.5° | 93.5° |
| C3 | C2 | O25 | H3 | 121.2° | 120.0° |
| C3 | C2 | O25 | S22 | 81.7° | 143.3° |
| C3 | C2 | C1 | H1 | 54.7° | 176.2° |
| C3 | C2 | C1 | H2 | 176.0° | 56.3° |
| C2 | C3 | H4 | H5 | 119.4° | 120.6° |
| C6 | C8 | H8 | H9 | 119.0° | 120.0° |
| C6 | C8 | C9 | H10 | 73.5° | 64.7° |
| C2 | O25 | S22 | N19 | 156.7° | 73.2° |
| C2 | O25 | S22 | O20 | 83.0° | 173.3° |
| C2 | O25 | S22 | O21 | 39.6° | 40.3° |
| O25 | C2 | C1 | H1 | 67.4° | 56.2° |
| O25 | C2 | C1 | H2 | 53.9° | 63.7° |
| O25 | C2 | C3 | H4 | 61.3° | 55.5° |
| O25 | C2 | C3 | H5 | 58.3° | 65.1° |
| O25 | S22 | N19 | O20 | 113.2° | 113.5° |
| O25 | S22 | N19 | O21 | 114.5° | 113.6° |
| O25 | S22 | O20 | O21 | 119.5° | 123.0° |
| S22 | O25 | C2 | H3 | 39.5° | 23.3° |
| O25 | S22 | N19 | H28 | 180.0° | 146.8° |
| O25 | S22 | N19 | H29 | 60.0° | 33.1° |
| N19 | S22 | O20 | O21 | 131.6° | 122.9° |
| S22 | N19 | H28 | H29 | 120.0° | 180.0° |
| O20 | S22 | N19 | H28 | 66.7° | 33.3° |
| O20 | S22 | N19 | H29 | 53.3° | 146.7° |
| O21 | S22 | N19 | H28 | 65.5° | 99.6° |
| O21 | S22 | N19 | H29 | 174.4° | 80.4° |
| H1 | C1 | C2 | H3 | 173.1° | 63.8° |
| H1 | C1 | C10 | H11 | 63.6° | 62.9° |
| H1 | C1 | C10 | H12 | 177.7° | 57.1° |
| H2 | C1 | C2 | H3 | 65.7° | 176.3° |
| H2 | C1 | C10 | H11 | 57.7° | 177.2° |
| H2 | C1 | C10 | H12 | 61.0° | 62.7° |
| H3 | C2 | C3 | H4 | 60.3° | 175.5° |
| H3 | C2 | C3 | H5 | 179.9° | 54.9° |
| H6 | C6 | C8 | H8 | 74.8° | 33.5° |
| H6 | C6 | C8 | H9 | 44.5° | 86.5° |
| H7 | C7 | C9 | H10 | 167.8° | 177.4° |
| H7 | C7 | C11 | H13 | 161.5° | 55.5° |
| H7 | C7 | C11 | H14 | 43.3° | 174.4° |
| H8 | C8 | C9 | H10 | 166.2° | 55.0° |
| H9 | C8 | C9 | H10 | 46.8° | 175.2° |
| H10 | C9 | C12 | H15 | 179.5° | 176.9° |
| H13 | C11 | C14 | H16 | 40.1° | 58.7° |
| H13 | C11 | C14 | H17 | 158.7° | 62.3° |
| H14 | C11 | C14 | H16 | 78.2° | 177.6° |
| H14 | C11 | C14 | H17 | 40.4° | 56.6° |
| H15 | C12 | C17 | H21 | 46.2° | 164.2° |
| H15 | C12 | C17 | H22 | 169.0° | 40.9° |
| H18 | C15 | H19 | H20 | 120.0° | 120.0° |
| H21 | C17 | C18 | H23 | 20.8° | 145.4° |
| H21 | C17 | C18 | H24 | 100.8° | 24.2° |
| H22 | C17 | C18 | H23 | 143.7° | 21.5° |
| H22 | C17 | C18 | H24 | 22.1° | 99.6° |
| H25 | C | H26 | H27 | 120.0° | 120.0° |
