AIT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.54Å | 1.54Å | |
| C1 | S11 | sing | 1.82Å | 1.81Å | |
| C1 | C12 | sing | 1.51Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å | |
| C2 | O3 | sing | 1.41Å | 1.45Å | |
| C2 | C19 | sing | 1.51Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| O3 | C4 | sing | 1.35Å | 1.36Å | |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | O8 | sing | 1.36Å | 1.34Å | |
| C7 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | S11 | sing | 1.77Å | 1.54Å | |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | O16 | sing | 1.36Å | 1.35Å | |
| C15 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| O16 | H16 | sing | 0.97Å | 0.95Å | |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | O25 | sing | 1.36Å | 1.35Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| O25 | C26 | sing | 1.43Å | 1.44Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C27 | N29 | sing | 1.47Å | 1.47Å | |
| C27 | H27 | sing | 1.09Å | 1.11Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C28 | H283 | sing | 1.09Å | 1.12Å | |
| N29 | C30 | sing | 1.47Å | 1.49Å | |
| N29 | C33 | sing | 1.48Å | 1.46Å | |
| C30 | C31 | sing | 1.54Å | 1.55Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C31 | C32 | sing | 1.55Å | 1.53Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C32 | C33 | sing | 1.55Å | 1.55Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C33 | H331 | sing | 1.09Å | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | S11 | 110.3° | 106.6° |
| C2 | C1 | C12 | 106.3° | 109.9° |
| C2 | C1 | H1 | 114.2° | 110.1° |
| C1 | C2 | O3 | 109.5° | 108.9° |
| C1 | C2 | C19 | 120.2° | 109.6° |
| C1 | C2 | H2 | 101.2° | 109.6° |
| S11 | C1 | C12 | 117.4° | 110.1° |
| S11 | C1 | H1 | 102.3° | 110.1° |
| C1 | S11 | C10 | 109.5° | 99.2° |
| C12 | C1 | H1 | 106.5° | 110.0° |
| C1 | C12 | C13 | 123.5° | 119.9° |
| C1 | C12 | C18 | 117.3° | 119.9° |
| O3 | C2 | C19 | 108.1° | 109.6° |
| O3 | C2 | H2 | 115.0° | 109.6° |
| C2 | O3 | C4 | 118.2° | 113.5° |
| C19 | C2 | H2 | 102.9° | 109.6° |
| C2 | C19 | C20 | 119.1° | 119.9° |
| C2 | C19 | C24 | 125.7° | 119.9° |
| O3 | C4 | C5 | 111.2° | 115.4° |
| O3 | C4 | C10 | 124.9° | 126.1° |
| C5 | C4 | C10 | 123.9° | 118.5° |
| C4 | C5 | C6 | 118.3° | 121.2° |
| C4 | C5 | H5 | 121.9° | 119.4° |
| C4 | C10 | C9 | 116.4° | 120.2° |
| C4 | C10 | S11 | 121.5° | 122.1° |
| C6 | C5 | H5 | 119.8° | 119.4° |
| C5 | C6 | C7 | 119.9° | 120.1° |
| C5 | C6 | H6 | 118.7° | 120.0° |
| C7 | C6 | H6 | 121.4° | 119.9° |
| C6 | C7 | O8 | 114.5° | 120.3° |
| C6 | C7 | C9 | 120.8° | 119.4° |
| O8 | C7 | C9 | 124.4° | 120.3° |
| C7 | O8 | HO8 | 114.5° | 106.9° |
| C7 | C9 | C10 | 120.5° | 120.6° |
| C7 | C9 | H9 | 119.8° | 119.7° |
| C10 | C9 | H9 | 119.7° | 119.7° |
| C9 | C10 | S11 | 122.1° | 117.7° |
| C13 | C12 | C18 | 119.2° | 120.2° |
| C12 | C13 | C14 | 118.7° | 120.0° |
| C12 | C13 | H13 | 120.9° | 120.0° |
| C12 | C18 | C17 | 122.8° | 120.0° |
| C12 | C18 | H18 | 118.4° | 120.0° |
| C14 | C13 | H13 | 120.4° | 120.0° |
| C13 | C14 | C15 | 121.8° | 120.0° |
| C13 | C14 | H14 | 118.6° | 120.0° |
| C15 | C14 | H14 | 119.6° | 120.0° |
| C14 | C15 | O16 | 122.4° | 120.1° |
| C14 | C15 | C17 | 119.5° | 119.8° |
| O16 | C15 | C17 | 118.1° | 120.1° |
| C15 | O16 | H16 | 122.4° | 106.8° |
| C15 | C17 | C18 | 117.9° | 120.0° |
| C15 | C17 | H17 | 121.2° | 120.0° |
| C18 | C17 | H17 | 120.9° | 120.0° |
| C17 | C18 | H18 | 118.8° | 120.0° |
| C20 | C19 | C24 | 115.2° | 120.1° |
| C19 | C20 | C21 | 124.6° | 120.0° |
| C19 | C20 | H20 | 117.2° | 119.9° |
| C19 | C24 | C23 | 121.3° | 120.0° |
| C19 | C24 | H24 | 120.2° | 120.0° |
| C21 | C20 | H20 | 118.2° | 120.0° |
| C20 | C21 | C22 | 118.4° | 120.0° |
| C20 | C21 | H21 | 121.3° | 120.0° |
| C22 | C21 | H21 | 120.3° | 120.0° |
| C21 | C22 | C23 | 117.8° | 119.8° |
| C21 | C22 | O25 | 123.5° | 120.1° |
| C23 | C22 | O25 | 118.7° | 120.1° |
| C22 | C23 | C24 | 122.6° | 120.0° |
| C22 | C23 | H23 | 119.5° | 120.0° |
| C22 | O25 | C26 | 119.8° | 106.8° |
| C24 | C23 | H23 | 117.9° | 120.0° |
| C23 | C24 | H24 | 118.5° | 120.0° |
| O25 | C26 | C27 | 111.7° | 109.5° |
| O25 | C26 | H261 | 111.4° | 109.4° |
| O25 | C26 | H262 | 111.4° | 109.5° |
| C27 | C26 | H261 | 111.4° | 109.5° |
| C27 | C26 | H262 | 111.4° | 109.5° |
| C26 | C27 | C28 | 105.4° | 109.5° |
| C26 | C27 | N29 | 113.9° | 109.5° |
| C26 | C27 | H27 | 108.1° | 109.5° |
| H261 | C26 | H262 | 98.9° | 109.5° |
| C28 | C27 | N29 | 105.5° | 109.5° |
| C28 | C27 | H27 | 116.2° | 109.5° |
| C27 | C28 | H281 | 113.7° | 109.4° |
| C27 | C28 | H282 | 105.4° | 109.5° |
| C27 | C28 | H283 | 113.8° | 109.5° |
| N29 | C27 | H27 | 108.0° | 109.4° |
| C27 | N29 | C30 | 114.5° | 106.8° |
| C27 | N29 | C33 | 111.3° | 106.7° |
| H281 | C28 | H282 | 113.8° | 109.5° |
| H281 | C28 | H283 | 96.7° | 109.5° |
| H282 | C28 | H283 | 113.7° | 109.5° |
| C30 | N29 | C33 | 104.0° | 108.6° |
| N29 | C30 | C31 | 105.9° | 107.3° |
| N29 | C30 | H301 | 113.6° | 109.9° |
| N29 | C30 | H302 | 113.5° | 109.8° |
| N29 | C33 | C32 | 101.7° | 104.8° |
| N29 | C33 | H331 | 115.2° | 110.4° |
| N29 | C33 | H332 | 115.2° | 110.4° |
| C31 | C30 | H301 | 113.6° | 109.9° |
| C31 | C30 | H302 | 113.5° | 109.9° |
| C30 | C31 | C32 | 104.6° | 103.0° |
| C30 | C31 | H311 | 114.1° | 110.7° |
| C30 | C31 | H312 | 114.1° | 110.7° |
| H301 | C30 | H302 | 96.9° | 110.0° |
| C32 | C31 | H311 | 114.0° | 110.7° |
| C32 | C31 | H312 | 114.1° | 110.7° |
| C31 | C32 | C33 | 101.5° | 101.6° |
| C31 | C32 | H321 | 115.3° | 111.0° |
| C31 | C32 | H322 | 115.2° | 111.0° |
| H311 | C31 | H312 | 96.4° | 110.8° |
| C33 | C32 | H321 | 115.3° | 111.0° |
| C33 | C32 | H322 | 115.3° | 111.0° |
| C32 | C33 | H331 | 115.2° | 110.3° |
| C32 | C33 | H332 | 115.2° | 110.3° |
| H321 | C32 | H322 | 95.2° | 110.9° |
| H331 | C33 | H332 | 95.3° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | S11 | C12 | 121.9° | 119.2° |
| C2 | C1 | S11 | H1 | 121.9° | 119.4° |
| C2 | C1 | C12 | H1 | 122.2° | 121.4° |
| C1 | C2 | O3 | C19 | 132.6° | 119.9° |
| C1 | C2 | O3 | H2 | 113.1° | 119.9° |
| C1 | C2 | C19 | H2 | 111.3° | 120.3° |
| C1 | C2 | O3 | C4 | 58.1° | 67.2° |
| C2 | C1 | S11 | C10 | 26.2° | 42.4° |
| C2 | C1 | C12 | C13 | 95.4° | 77.5° |
| C2 | C1 | C12 | C18 | 85.9° | 102.8° |
| C1 | C2 | C19 | C20 | 138.6° | 100.2° |
| C1 | C2 | C19 | C24 | 41.9° | 79.8° |
| S11 | C1 | C12 | H1 | 113.8° | 121.5° |
| S11 | C1 | C2 | O3 | 52.8° | 74.5° |
| S11 | C1 | C2 | C19 | 73.1° | 165.6° |
| S11 | C1 | C2 | H2 | 174.6° | 45.4° |
| C1 | S11 | C10 | C4 | 0.2° | 11.2° |
| C1 | S11 | C10 | C9 | 178.1° | 170.0° |
| S11 | C1 | C12 | C13 | 28.5° | 39.6° |
| S11 | C1 | C12 | C18 | 150.2° | 140.1° |
| C12 | C1 | C2 | O3 | 178.9° | 44.8° |
| C12 | C1 | C2 | C19 | 55.1° | 75.1° |
| C12 | C1 | C2 | H2 | 57.1° | 164.6° |
| C12 | C1 | S11 | C10 | 148.2° | 76.7° |
| C1 | C12 | C13 | C18 | 178.7° | 179.7° |
| C1 | C12 | C13 | C14 | 179.0° | 180.0° |
| C1 | C12 | C13 | H13 | 1.0° | 0.0° |
| C1 | C12 | C18 | C17 | 178.0° | 179.7° |
| C1 | C12 | C18 | H18 | 2.0° | 0.3° |
| H1 | C1 | C2 | O3 | 61.7° | 166.1° |
| H1 | C1 | C2 | C19 | 172.3° | 46.3° |
| H1 | C1 | C2 | H2 | 60.1° | 74.0° |
| H1 | C1 | S11 | C10 | 95.6° | 161.8° |
| H1 | C1 | C12 | C13 | 142.4° | 161.0° |
| H1 | C1 | C12 | C18 | 36.3° | 18.7° |
| O3 | C2 | C19 | H2 | 122.1° | 120.2° |
| C2 | O3 | C4 | C5 | 148.2° | 150.8° |
| C2 | O3 | C4 | C10 | 30.8° | 29.5° |
| O3 | C2 | C19 | C20 | 94.8° | 140.3° |
| O3 | C2 | C19 | C24 | 84.7° | 39.7° |
| C19 | C2 | O3 | C4 | 74.5° | 172.9° |
| C2 | C19 | C20 | C24 | 179.5° | 180.0° |
| C2 | C19 | C20 | C21 | 178.4° | 180.0° |
| C2 | C19 | C20 | H20 | 1.6° | 0.0° |
| C2 | C19 | C24 | C23 | 178.5° | 179.7° |
| C2 | C19 | C24 | H24 | 1.5° | 0.0° |
| H2 | C2 | O3 | C4 | 171.2° | 52.7° |
| H2 | C2 | C19 | C20 | 27.3° | 20.1° |
| H2 | C2 | C19 | C24 | 153.2° | 160.0° |
| O3 | C4 | C5 | C10 | 179.0° | 179.7° |
| O3 | C4 | C5 | C6 | 179.7° | 178.6° |
| O3 | C4 | C5 | H5 | 0.3° | 1.4° |
| O3 | C4 | C10 | C9 | 177.8° | 177.9° |
| O3 | C4 | C10 | S11 | 0.2° | 3.3° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 1.2° | 0.1° |
| C4 | C5 | C6 | H6 | 178.8° | 179.9° |
| C5 | C4 | C10 | C9 | 3.4° | 1.8° |
| C5 | C4 | C10 | S11 | 178.6° | 177.0° |
| C10 | C4 | C5 | C6 | 1.4° | 1.1° |
| C10 | C4 | C5 | H5 | 178.6° | 178.9° |
| C4 | C10 | C9 | C7 | 5.3° | 1.3° |
| C4 | C10 | C9 | S11 | 178.0° | 178.9° |
| C4 | C10 | C9 | H9 | 174.7° | 178.7° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | O8 | 177.3° | 179.4° |
| C5 | C6 | C7 | C9 | 3.2° | 0.6° |
| H5 | C5 | C6 | C7 | 178.8° | 179.9° |
| H5 | C5 | C6 | H6 | 1.2° | 0.1° |
| C6 | C7 | O8 | C9 | 173.8° | 179.9° |
| C6 | C7 | O8 | HO8 | 180.0° | 90.0° |
| C6 | C7 | C9 | C10 | 5.4° | 0.0° |
| C6 | C7 | C9 | H9 | 174.6° | 179.9° |
| H6 | C6 | C7 | O8 | 2.7° | 0.6° |
| H6 | C6 | C7 | C9 | 176.8° | 179.4° |
| O8 | C7 | C9 | C10 | 178.9° | 179.9° |
| O8 | C7 | C9 | H9 | 1.1° | 0.1° |
| C9 | C7 | O8 | HO8 | 6.2° | 89.9° |
| C7 | C9 | C10 | H9 | 180.0° | 180.0° |
| C7 | C9 | C10 | S11 | 176.7° | 177.6° |
| H9 | C9 | C10 | S11 | 3.3° | 2.4° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.8° | 0.1° |
| C12 | C13 | C14 | H14 | 179.2° | 180.0° |
| C13 | C12 | C18 | C17 | 3.2° | 0.5° |
| C13 | C12 | C18 | H18 | 176.7° | 180.0° |
| C18 | C12 | C13 | C14 | 2.4° | 0.3° |
| C18 | C12 | C13 | H13 | 177.6° | 179.7° |
| C12 | C18 | C17 | C15 | 2.4° | 0.5° |
| C12 | C18 | C17 | H18 | 180.0° | 179.5° |
| C12 | C18 | C17 | H17 | 177.6° | 179.7° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | O16 | 179.4° | 180.0° |
| C13 | C14 | C15 | C17 | 0.0° | 0.1° |
| H13 | C13 | C14 | C15 | 179.2° | 180.0° |
| H13 | C13 | C14 | H14 | 0.8° | 0.1° |
| C14 | C15 | O16 | C17 | 179.4° | 179.9° |
| C14 | C15 | O16 | H16 | 180.0° | 90.0° |
| C14 | C15 | C17 | C18 | 0.7° | 0.2° |
| C14 | C15 | C17 | H17 | 179.3° | 180.0° |
| H14 | C14 | C15 | O16 | 0.6° | 0.1° |
| H14 | C14 | C15 | C17 | 180.0° | 180.0° |
| O16 | C15 | C17 | C18 | 178.7° | 179.7° |
| O16 | C15 | C17 | H17 | 1.3° | 0.0° |
| C17 | C15 | O16 | H16 | 0.6° | 90.0° |
| C15 | C17 | C18 | H17 | 180.0° | 179.8° |
| C15 | C17 | C18 | H18 | 177.6° | 180.0° |
| H17 | C17 | C18 | H18 | 2.4° | 0.2° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 3.7° | 0.1° |
| C19 | C20 | C21 | H21 | 176.3° | 180.0° |
| C20 | C19 | C24 | C23 | 2.0° | 0.3° |
| C20 | C19 | C24 | H24 | 178.0° | 180.0° |
| C24 | C19 | C20 | C21 | 1.2° | 0.0° |
| C24 | C19 | C20 | H20 | 178.8° | 180.0° |
| C19 | C24 | C23 | C22 | 2.7° | 0.6° |
| C19 | C24 | C23 | H24 | 180.0° | 179.7° |
| C19 | C24 | C23 | H23 | 177.3° | 180.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 2.9° | 0.2° |
| C20 | C21 | C22 | O25 | 179.8° | 180.0° |
| H20 | C20 | C21 | C22 | 176.3° | 180.0° |
| H20 | C20 | C21 | H21 | 3.7° | 0.0° |
| C21 | C22 | C23 | O25 | 177.0° | 179.8° |
| C21 | C22 | C23 | C24 | 0.1° | 0.5° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| C21 | C22 | O25 | C26 | 18.6° | 180.0° |
| H21 | C21 | C22 | C23 | 177.1° | 179.7° |
| H21 | C21 | C22 | O25 | 0.2° | 0.1° |
| C22 | C23 | C24 | H23 | 180.0° | 179.4° |
| C22 | C23 | C24 | H24 | 177.3° | 179.7° |
| C23 | C22 | O25 | C26 | 158.2° | 0.3° |
| O25 | C22 | C23 | C24 | 176.9° | 179.7° |
| O25 | C22 | C23 | H23 | 3.1° | 0.3° |
| C22 | O25 | C26 | C27 | 174.6° | 180.0° |
| C22 | O25 | C26 | H261 | 60.1° | 60.0° |
| C22 | O25 | C26 | H262 | 49.3° | 60.0° |
| H23 | C23 | C24 | H24 | 2.7° | 0.3° |
| O25 | C26 | C27 | H261 | 125.3° | 120.0° |
| O25 | C26 | C27 | H262 | 125.3° | 120.1° |
| O25 | C26 | H261 | H262 | 117.3° | 120.0° |
| O25 | C26 | C27 | C28 | 160.9° | 55.0° |
| O25 | C26 | C27 | N29 | 83.9° | 65.0° |
| O25 | C26 | C27 | H27 | 36.1° | 175.0° |
| C27 | C26 | H261 | H262 | 117.3° | 120.0° |
| C26 | C27 | C28 | N29 | 120.8° | 120.0° |
| C26 | C27 | C28 | H27 | 119.6° | 120.0° |
| C26 | C27 | N29 | H27 | 120.1° | 120.0° |
| C26 | C27 | C28 | H281 | 54.7° | 63.0° |
| C26 | C27 | C28 | H282 | 180.0° | 177.0° |
| C26 | C27 | C28 | H283 | 54.7° | 57.0° |
| C26 | C27 | N29 | C30 | 150.3° | 64.5° |
| C26 | C27 | N29 | C33 | 32.6° | 179.5° |
| H261 | C26 | C27 | C28 | 73.8° | 65.0° |
| H261 | C26 | C27 | N29 | 41.4° | 175.0° |
| H261 | C26 | C27 | H27 | 161.4° | 55.0° |
| H262 | C26 | C27 | C28 | 35.7° | 175.1° |
| H262 | C26 | C27 | N29 | 150.8° | 55.0° |
| H262 | C26 | C27 | H27 | 89.2° | 64.9° |
| C28 | C27 | N29 | H27 | 124.8° | 120.0° |
| C27 | C28 | H281 | H282 | 120.7° | 120.0° |
| C27 | C28 | H281 | H283 | 119.7° | 120.0° |
| C27 | C28 | H282 | H283 | 125.3° | 120.0° |
| C28 | C27 | N29 | C30 | 94.7° | 175.4° |
| C28 | C27 | N29 | C33 | 147.7° | 59.5° |
| N29 | C27 | C28 | H281 | 66.1° | 57.0° |
| N29 | C27 | C28 | H282 | 59.2° | 63.0° |
| N29 | C27 | C28 | H283 | 175.5° | 177.0° |
| C27 | N29 | C30 | C33 | 121.7° | 114.7° |
| C27 | N29 | C30 | C31 | 151.6° | 115.6° |
| C27 | N29 | C30 | H301 | 83.1° | 124.9° |
| C27 | N29 | C30 | H302 | 26.4° | 3.8° |
| C27 | N29 | C33 | C32 | 169.9° | 138.8° |
| C27 | N29 | C33 | H331 | 44.6° | 20.0° |
| C27 | N29 | C33 | H332 | 64.8° | 102.4° |
| H27 | C27 | C28 | H281 | 174.3° | 177.0° |
| H27 | C27 | C28 | H282 | 60.4° | 57.0° |
| H27 | C27 | C28 | H283 | 64.9° | 63.0° |
| H27 | C27 | N29 | C30 | 30.2° | 55.4° |
| H27 | C27 | N29 | C33 | 87.5° | 60.5° |
| H281 | C28 | H282 | H283 | 109.5° | 120.0° |
| N29 | C30 | C31 | H301 | 125.3° | 119.5° |
| N29 | C30 | C31 | H302 | 125.2° | 119.4° |
| N29 | C30 | H301 | H302 | 119.5° | 121.0° |
| N29 | C30 | C31 | C32 | 1.5° | 22.3° |
| N29 | C30 | C31 | H311 | 123.8° | 140.7° |
| N29 | C30 | C31 | H312 | 126.7° | 96.1° |
| C30 | N29 | C33 | C32 | 46.1° | 24.1° |
| C30 | N29 | C33 | H331 | 79.2° | 94.7° |
| C30 | N29 | C33 | H332 | 171.4° | 142.8° |
| C33 | N29 | C30 | C31 | 29.9° | 0.9° |
| C33 | N29 | C30 | H301 | 155.2° | 120.4° |
| C33 | N29 | C30 | H302 | 95.3° | 118.5° |
| N29 | C33 | C32 | C31 | 44.3° | 37.1° |
| N29 | C33 | C32 | H331 | 125.3° | 118.9° |
| N29 | C33 | C32 | H332 | 125.3° | 118.8° |
| N29 | C33 | C32 | H321 | 81.0° | 81.0° |
| N29 | C33 | C32 | H322 | 169.5° | 155.1° |
| N29 | C33 | H331 | H332 | 121.0° | 122.4° |
| C31 | C30 | H301 | H302 | 119.5° | 121.1° |
| C30 | C31 | C32 | H311 | 125.3° | 118.3° |
| C30 | C31 | C32 | H312 | 125.3° | 118.4° |
| C30 | C31 | H311 | H312 | 120.0° | 123.2° |
| C30 | C31 | C32 | C33 | 25.4° | 35.7° |
| C30 | C31 | C32 | H321 | 99.9° | 82.4° |
| C30 | C31 | C32 | H322 | 150.6° | 153.8° |
| H301 | C30 | C31 | C32 | 126.7° | 97.1° |
| H301 | C30 | C31 | H311 | 1.5° | 21.2° |
| H301 | C30 | C31 | H312 | 108.0° | 144.5° |
| H302 | C30 | C31 | C32 | 123.8° | 141.7° |
| H302 | C30 | C31 | H311 | 111.0° | 100.0° |
| H302 | C30 | C31 | H312 | 1.5° | 23.3° |
| C32 | C31 | H311 | H312 | 120.0° | 123.2° |
| C31 | C32 | C33 | H321 | 125.3° | 118.1° |
| C31 | C32 | C33 | H322 | 125.2° | 118.1° |
| C31 | C32 | H321 | H322 | 121.1° | 123.9° |
| C31 | C32 | C33 | H331 | 81.0° | 81.8° |
| C31 | C32 | C33 | H332 | 169.5° | 155.9° |
| H311 | C31 | C32 | C33 | 150.7° | 154.0° |
| H311 | C31 | C32 | H321 | 25.4° | 35.9° |
| H311 | C31 | C32 | H322 | 84.1° | 87.9° |
| H312 | C31 | C32 | C33 | 99.9° | 82.7° |
| H312 | C31 | C32 | H321 | 134.8° | 159.2° |
| H312 | C31 | C32 | H322 | 25.4° | 35.4° |
| C33 | C32 | H321 | H322 | 121.1° | 123.9° |
| C32 | C33 | H331 | H332 | 121.1° | 122.2° |
| H321 | C32 | C33 | H331 | 153.7° | 160.1° |
| H321 | C32 | C33 | H332 | 44.3° | 37.8° |
| H322 | C32 | C33 | H331 | 44.2° | 36.3° |
| H322 | C32 | C33 | H332 | 65.2° | 86.0° |
