A1EGF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | O2 | sing | 1.43Å | 1.42Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C15 | C17 | sing | 1.51Å | 1.50Å | |
| O1 | C14 | sing | 1.43Å | 1.43Å | |
| C12 | C10 | sing | 1.50Å | 1.51Å | |
| C18 | C17 | sing | 1.39Å | 1.33Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | |
| S3 | C19 | sing | 1.77Å | 1.73Å | |
| S3 | C26 | sing | 1.82Å | 1.80Å | |
| C17 | S1 | doub | 1.71Å | 1.66Å | |
| C19 | N1 | sing | 1.36Å | 1.33Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C10 | C9 | doub | 1.34Å | 1.33Å | |
| C26 | O5 | sing | 1.43Å | 1.39Å | |
| C26 | C20 | sing | 1.53Å | 1.54Å | |
| N1 | C20 | sing | 1.45Å | 1.48Å | |
| C9 | C8 | sing | 1.47Å | 1.43Å | |
| C20 | C22 | sing | 1.51Å | 1.50Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | doub | 1.32Å | 1.33Å | |
| N2 | C22 | doub | 1.28Å | 1.27Å | |
| N2 | C23 | sing | 1.45Å | 1.48Å | |
| C22 | S2 | sing | 1.77Å | 1.73Å | |
| C1 | C2 | sing | 1.51Å | 1.41Å | |
| C23 | C24 | sing | 1.54Å | 1.54Å | |
| C23 | C25 | sing | 1.50Å | 1.51Å | |
| C7 | C6 | sing | 1.51Å | 1.64Å | |
| C2 | C3 | doub | 1.31Å | 1.33Å | |
| S2 | C24 | sing | 1.82Å | 1.79Å | |
| O4 | C25 | sing | 1.34Å | 1.33Å | |
| O4 | C5 | sing | 1.45Å | 1.46Å | |
| C25 | O3 | doub | 1.21Å | 1.20Å | |
| C6 | C5 | sing | 1.52Å | 1.59Å | |
| C3 | C5 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.08Å | 1.08Å | |
| C9 | H19 | sing | 1.07Å | 1.08Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| O1 | H28 | sing | 0.97Å | 0.95Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| O2 | H32 | sing | 0.97Å | 0.95Å | |
| C18 | H33 | sing | 1.08Å | 1.08Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.10Å | 1.10Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| O5 | H46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | O2 | 109.9° | 109.4° |
| C16 | C15 | C14 | 112.0° | 109.4° |
| C16 | C15 | C17 | 109.1° | 109.4° |
| C15 | C16 | H29 | 109.5° | 109.5° |
| C15 | C16 | H30 | 109.5° | 109.5° |
| C15 | C16 | H31 | 109.4° | 109.4° |
| C12 | C13 | C14 | 113.2° | 110.0° |
| C13 | C12 | C10 | 113.6° | 110.2° |
| C13 | C12 | H23 | 108.4° | 109.4° |
| C13 | C12 | H24 | 108.4° | 109.2° |
| C12 | C13 | H25 | 108.5° | 109.4° |
| C12 | C13 | H26 | 108.5° | 109.4° |
| C13 | C14 | C15 | 111.8° | 110.0° |
| C13 | C14 | O1 | 108.1° | 109.4° |
| C14 | C13 | H25 | 108.5° | 109.4° |
| C14 | C13 | H26 | 108.5° | 109.4° |
| C13 | C14 | H27 | 108.4° | 109.3° |
| O2 | C15 | C14 | 110.6° | 109.4° |
| O2 | C15 | C17 | 108.9° | 109.5° |
| C15 | O2 | H32 | 109.5° | 114.0° |
| C14 | C15 | C17 | 106.2° | 109.7° |
| C15 | C14 | O1 | 111.0° | 109.4° |
| C15 | C14 | H27 | 108.0° | 109.4° |
| C15 | C17 | C18 | 121.4° | 120.3° |
| C15 | C17 | S1 | 117.3° | 119.8° |
| O1 | C14 | H27 | 109.6° | 109.3° |
| C14 | O1 | H28 | 109.5° | 114.0° |
| C12 | C10 | C11 | 114.8° | 120.7° |
| C12 | C10 | C9 | 121.2° | 120.1° |
| C10 | C12 | H23 | 108.4° | 109.4° |
| C10 | C12 | H24 | 108.4° | 109.4° |
| C17 | C18 | C19 | 124.0° | 120.2° |
| C18 | C17 | S1 | 121.3° | 119.9° |
| C17 | C18 | H33 | 118.0° | 120.2° |
| C18 | C19 | S3 | 122.2° | 125.3° |
| C18 | C19 | N1 | 128.6° | 125.4° |
| C19 | C18 | H33 | 118.0° | 119.6° |
| C19 | S3 | C26 | 96.7° | 96.1° |
| S3 | C19 | N1 | 109.2° | 109.3° |
| S3 | C26 | O5 | 110.9° | 110.8° |
| S3 | C26 | C20 | 105.1° | 104.0° |
| S3 | C26 | H45 | 106.9° | 110.3° |
| C19 | N1 | C20 | 118.7° | 117.9° |
| C19 | N1 | H1 | 107.1° | 121.0° |
| C11 | C10 | C9 | 124.0° | 119.1° |
| C10 | C11 | H20 | 109.5° | 109.4° |
| C10 | C11 | H21 | 109.5° | 109.4° |
| C10 | C11 | H22 | 109.5° | 109.5° |
| C10 | C9 | C8 | 119.2° | 117.3° |
| C10 | C9 | H19 | 120.4° | 119.2° |
| O5 | C26 | C20 | 111.8° | 110.5° |
| O5 | C26 | H45 | 112.0° | 110.4° |
| C26 | O5 | H46 | 109.5° | 114.0° |
| C26 | C20 | N1 | 108.1° | 111.6° |
| C26 | C20 | C22 | 109.7° | 110.0° |
| C26 | C20 | C21 | 111.7° | 109.0° |
| C20 | C26 | H45 | 109.8° | 110.5° |
| N1 | C20 | C22 | 110.7° | 108.7° |
| N1 | C20 | C21 | 108.6° | 108.7° |
| C20 | N1 | H1 | 107.1° | 121.1° |
| C9 | C8 | C7 | 126.9° | 121.2° |
| C9 | C8 | H6 | 116.5° | 119.9° |
| C8 | C9 | H19 | 120.4° | 123.5° |
| C22 | C20 | C21 | 108.1° | 108.8° |
| C20 | C22 | N2 | 121.1° | 125.2° |
| C20 | C22 | S2 | 125.6° | 124.8° |
| C20 | C21 | H36 | 109.5° | 109.5° |
| C20 | C21 | H37 | 109.4° | 109.5° |
| C20 | C21 | H38 | 109.4° | 109.5° |
| C8 | C7 | C6 | 125.7° | 119.7° |
| C7 | C8 | H6 | 116.5° | 118.8° |
| C8 | C7 | H17 | 117.2° | 120.1° |
| C22 | N2 | C23 | 114.5° | 119.8° |
| N2 | C22 | S2 | 113.3° | 109.9° |
| N2 | C23 | C24 | 110.2° | 111.1° |
| N2 | C23 | C25 | 107.5° | 112.2° |
| N2 | C23 | H42 | 110.2° | 107.5° |
| C22 | S2 | C24 | 94.2° | 95.7° |
| C1 | C2 | C3 | 122.5° | 120.0° |
| C1 | C2 | H8 | 118.7° | 120.0° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.4° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C24 | C23 | C25 | 109.8° | 109.5° |
| C23 | C24 | S2 | 101.6° | 102.6° |
| C24 | C23 | H42 | 109.4° | 107.6° |
| C23 | C24 | H43 | 111.4° | 110.8° |
| C23 | C24 | H44 | 111.4° | 110.8° |
| C23 | C25 | O4 | 110.8° | 121.4° |
| C23 | C25 | O3 | 124.9° | 119.3° |
| C25 | C23 | H42 | 109.7° | 108.8° |
| C7 | C6 | C5 | 131.3° | 110.1° |
| C7 | C6 | H3 | 103.8° | 109.4° |
| C7 | C6 | H4 | 103.8° | 109.3° |
| C6 | C7 | H17 | 117.1° | 120.1° |
| C2 | C3 | C5 | 123.9° | 120.0° |
| C2 | C3 | C4 | 120.4° | 120.0° |
| C3 | C2 | H8 | 118.8° | 120.0° |
| S2 | C24 | H43 | 111.4° | 110.8° |
| S2 | C24 | H44 | 111.4° | 110.9° |
| C25 | O4 | C5 | 115.1° | 118.0° |
| O4 | C25 | O3 | 124.4° | 119.3° |
| O4 | C5 | C6 | 107.1° | 111.1° |
| O4 | C5 | C3 | 109.2° | 109.1° |
| O4 | C5 | H5 | 108.4° | 109.1° |
| C6 | C5 | C3 | 117.4° | 109.2° |
| C5 | C6 | H3 | 103.8° | 109.3° |
| C5 | C6 | H4 | 103.8° | 109.3° |
| C6 | C5 | H5 | 106.8° | 109.1° |
| C5 | C3 | C4 | 115.7° | 120.0° |
| C3 | C5 | H5 | 107.6° | 109.1° |
| C3 | C4 | H10 | 109.5° | 109.5° |
| C3 | C4 | H11 | 109.5° | 109.5° |
| C3 | C4 | H12 | 109.5° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.4° |
| H10 | C4 | H11 | 109.4° | 109.5° |
| H10 | C4 | H12 | 109.5° | 109.4° |
| H11 | C4 | H12 | 109.5° | 109.4° |
| H13 | C1 | H14 | 109.4° | 109.5° |
| H13 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.5° |
| H20 | C11 | H22 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.5° |
| H23 | C12 | H24 | 109.5° | 109.3° |
| H25 | C13 | H26 | 109.5° | 109.3° |
| H29 | C16 | H30 | 109.5° | 109.5° |
| H29 | C16 | H31 | 109.5° | 109.4° |
| H30 | C16 | H31 | 109.5° | 109.5° |
| H36 | C21 | H37 | 109.5° | 109.5° |
| H36 | C21 | H38 | 109.5° | 109.5° |
| H37 | C21 | H38 | 109.5° | 109.4° |
| H43 | C24 | H44 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | C13 | 75.7° | 111.2° |
| C16 | C15 | O2 | C14 | 124.2° | 119.9° |
| C16 | C15 | O2 | C17 | 119.5° | 119.9° |
| C16 | C15 | C14 | C17 | 119.0° | 119.9° |
| C16 | C15 | C14 | O1 | 45.0° | 8.9° |
| C16 | C15 | C17 | C18 | 30.5° | 20.6° |
| C16 | C15 | C17 | S1 | 150.8° | 159.4° |
| C16 | C15 | C14 | H27 | 165.1° | 128.7° |
| C15 | C16 | H29 | H30 | 120.0° | 120.0° |
| C15 | C16 | H29 | H31 | 120.0° | 119.9° |
| C15 | C16 | H30 | H31 | 120.0° | 120.0° |
| C16 | C15 | O2 | H32 | 136.0° | 60.1° |
| C12 | C13 | C14 | H25 | 120.5° | 120.2° |
| C12 | C13 | C14 | H26 | 120.5° | 120.1° |
| C12 | C13 | C14 | C15 | 176.1° | 164.4° |
| C12 | C13 | C14 | O1 | 61.5° | 75.4° |
| C13 | C12 | C10 | H23 | 120.6° | 120.3° |
| C13 | C12 | C10 | H24 | 120.6° | 120.1° |
| C13 | C12 | C10 | C11 | 75.3° | 39.2° |
| C13 | C12 | C10 | C9 | 104.9° | 140.2° |
| C13 | C12 | H23 | H24 | 118.1° | 119.6° |
| C12 | C13 | H25 | H26 | 118.3° | 119.8° |
| C12 | C13 | C14 | H27 | 57.1° | 44.3° |
| C13 | C14 | C15 | O2 | 47.2° | 8.7° |
| C13 | C14 | C15 | O1 | 120.7° | 120.1° |
| C13 | C14 | C15 | H27 | 119.2° | 120.1° |
| C13 | C14 | C15 | C17 | 165.3° | 128.9° |
| C13 | C14 | O1 | H27 | 117.9° | 119.7° |
| C14 | C13 | C12 | C10 | 53.4° | 78.5° |
| C14 | C13 | C12 | H23 | 174.0° | 41.7° |
| C14 | C13 | C12 | H24 | 67.2° | 161.3° |
| C14 | C13 | H25 | H26 | 118.3° | 119.7° |
| C13 | C14 | O1 | H28 | 180.0° | 60.0° |
| O2 | C15 | C14 | C17 | 118.1° | 120.2° |
| O2 | C15 | C14 | O1 | 167.9° | 128.8° |
| O2 | C15 | C17 | C18 | 150.4° | 140.5° |
| O2 | C15 | C17 | S1 | 30.8° | 39.5° |
| O2 | C15 | C14 | H27 | 71.9° | 111.4° |
| O2 | C15 | C16 | H29 | 180.0° | 60.0° |
| O2 | C15 | C16 | H30 | 60.0° | 180.0° |
| O2 | C15 | C16 | H31 | 60.0° | 59.9° |
| C15 | C14 | O1 | H27 | 119.2° | 119.8° |
| C14 | C15 | C17 | C18 | 90.4° | 99.4° |
| C14 | C15 | C17 | S1 | 88.4° | 80.6° |
| C15 | C14 | C13 | H25 | 63.4° | 75.4° |
| C15 | C14 | C13 | H26 | 55.5° | 44.3° |
| C15 | C14 | O1 | H28 | 57.1° | 179.5° |
| C14 | C15 | C16 | H29 | 56.6° | 179.8° |
| C14 | C15 | C16 | H30 | 63.4° | 60.1° |
| C14 | C15 | C16 | H31 | 176.6° | 59.9° |
| C14 | C15 | O2 | H32 | 99.9° | 180.0° |
| C17 | C15 | C14 | O1 | 74.0° | 111.0° |
| C15 | C17 | C18 | S1 | 178.7° | 180.0° |
| C15 | C17 | C18 | C19 | 178.0° | 178.6° |
| C17 | C15 | C14 | H27 | 46.1° | 8.8° |
| C17 | C15 | C16 | H29 | 60.6° | 60.0° |
| C17 | C15 | C16 | H30 | 179.4° | 60.1° |
| C17 | C15 | C16 | H31 | 59.4° | 179.9° |
| C17 | C15 | O2 | H32 | 16.5° | 59.7° |
| C15 | C17 | C18 | H33 | 2.0° | 2.0° |
| O1 | C14 | C13 | H25 | 59.0° | 44.8° |
| O1 | C14 | C13 | H26 | 177.9° | 164.5° |
| C12 | C10 | C11 | C9 | 179.8° | 179.4° |
| C12 | C10 | C9 | C8 | 167.9° | 178.6° |
| C12 | C10 | C9 | H19 | 12.1° | 0.3° |
| C12 | C10 | C11 | H20 | 180.0° | 179.4° |
| C12 | C10 | C11 | H21 | 60.0° | 59.4° |
| C12 | C10 | C11 | H22 | 60.0° | 60.6° |
| C10 | C12 | H23 | H24 | 118.1° | 119.7° |
| C10 | C12 | C13 | H25 | 174.0° | 161.3° |
| C10 | C12 | C13 | H26 | 67.1° | 41.6° |
| C17 | C18 | C19 | H33 | 180.0° | 179.4° |
| C17 | C18 | C19 | S3 | 158.8° | 179.7° |
| C17 | C18 | C19 | N1 | 20.5° | 0.3° |
| C18 | C19 | S3 | N1 | 179.4° | 180.0° |
| C18 | C19 | S3 | C26 | 172.0° | 179.3° |
| C19 | C18 | C17 | S1 | 0.7° | 1.4° |
| C18 | C19 | N1 | C20 | 164.7° | 174.0° |
| C18 | C19 | N1 | H1 | 74.0° | 5.7° |
| C19 | S3 | C26 | O5 | 121.1° | 112.5° |
| C19 | S3 | C26 | C20 | 0.1° | 6.3° |
| S3 | C19 | N1 | C20 | 15.9° | 6.1° |
| S3 | C19 | N1 | H1 | 105.4° | 174.3° |
| S3 | C19 | C18 | H33 | 21.2° | 0.3° |
| C19 | S3 | C26 | H45 | 116.5° | 124.9° |
| C26 | S3 | C19 | N1 | 8.6° | 0.7° |
| S3 | C26 | O5 | C20 | 117.0° | 114.8° |
| S3 | C26 | O5 | H45 | 119.3° | 122.6° |
| S3 | C26 | C20 | H45 | 114.6° | 118.4° |
| S3 | C26 | C20 | N1 | 7.8° | 10.4° |
| S3 | C26 | C20 | C22 | 113.0° | 131.1° |
| S3 | C26 | C20 | C21 | 127.1° | 109.7° |
| S3 | C26 | O5 | H46 | 180.0° | 65.2° |
| S1 | C17 | C18 | H33 | 179.3° | 178.0° |
| C19 | N1 | C20 | C26 | 16.0° | 11.4° |
| C19 | N1 | C20 | H1 | 121.3° | 179.7° |
| C19 | N1 | C20 | C22 | 104.2° | 132.9° |
| C19 | N1 | C20 | C21 | 137.3° | 108.9° |
| N1 | C19 | C18 | H33 | 159.5° | 179.7° |
| C11 | C10 | C9 | C8 | 12.3° | 0.9° |
| C11 | C10 | C9 | H19 | 167.7° | 179.7° |
| C10 | C11 | H20 | H21 | 120.0° | 119.9° |
| C10 | C11 | H20 | H22 | 120.0° | 120.0° |
| C10 | C11 | H21 | H22 | 120.0° | 120.1° |
| C11 | C10 | C12 | H23 | 45.3° | 159.5° |
| C11 | C10 | C12 | H24 | 164.1° | 80.9° |
| C10 | C9 | C8 | H19 | 180.0° | 178.8° |
| C10 | C9 | C8 | C7 | 154.0° | 101.6° |
| C10 | C9 | C8 | H6 | 25.9° | 75.5° |
| C9 | C10 | C11 | H20 | 0.2° | 0.0° |
| C9 | C10 | C11 | H21 | 120.2° | 120.0° |
| C9 | C10 | C11 | H22 | 119.8° | 120.0° |
| C9 | C10 | C12 | H23 | 134.5° | 19.9° |
| C9 | C10 | C12 | H24 | 15.7° | 99.7° |
| O5 | C26 | C20 | H45 | 125.0° | 122.6° |
| O5 | C26 | C20 | N1 | 128.2° | 108.6° |
| O5 | C26 | C20 | C22 | 7.4° | 12.1° |
| O5 | C26 | C20 | C21 | 112.4° | 131.3° |
| C26 | C20 | N1 | C22 | 120.2° | 121.5° |
| C26 | C20 | N1 | C21 | 121.3° | 120.2° |
| C26 | C20 | C22 | C21 | 122.0° | 119.3° |
| C26 | C20 | C22 | N2 | 104.0° | 89.5° |
| C26 | C20 | C22 | S2 | 74.7° | 91.7° |
| C26 | C20 | N1 | H1 | 105.3° | 169.0° |
| C26 | C20 | C21 | H36 | 180.0° | 176.7° |
| C26 | C20 | C21 | H37 | 60.0° | 56.7° |
| C26 | C20 | C21 | H38 | 60.0° | 63.3° |
| C20 | C26 | O5 | H46 | 63.0° | 180.0° |
| N1 | C20 | C22 | C21 | 118.8° | 118.2° |
| N1 | C20 | C22 | N2 | 15.2° | 33.1° |
| N1 | C20 | C22 | S2 | 166.1° | 145.8° |
| N1 | C20 | C21 | H36 | 61.0° | 61.5° |
| N1 | C20 | C21 | H37 | 179.0° | 178.6° |
| N1 | C20 | C21 | H38 | 59.0° | 58.6° |
| N1 | C20 | C26 | H45 | 106.8° | 128.8° |
| C9 | C8 | C7 | H6 | 180.0° | 177.2° |
| C9 | C8 | C7 | C6 | 137.1° | 173.8° |
| C9 | C8 | C7 | H17 | 42.9° | 6.9° |
| C20 | C22 | N2 | S2 | 178.9° | 179.0° |
| C20 | C22 | N2 | C23 | 176.7° | 176.5° |
| C20 | C22 | S2 | C24 | 163.1° | 177.4° |
| C22 | C20 | N1 | H1 | 134.5° | 47.4° |
| C22 | C20 | C21 | H36 | 59.1° | 56.7° |
| C22 | C20 | C21 | H37 | 60.8° | 63.2° |
| C22 | C20 | C21 | H38 | 179.2° | 176.8° |
| C22 | C20 | C26 | H45 | 132.4° | 110.4° |
| C21 | C20 | C22 | N2 | 134.0° | 151.2° |
| C21 | C20 | C22 | S2 | 47.3° | 27.6° |
| C21 | C20 | N1 | H1 | 16.0° | 70.8° |
| C20 | C21 | H36 | H37 | 120.0° | 120.0° |
| C20 | C21 | H36 | H38 | 120.0° | 120.0° |
| C20 | C21 | H37 | H38 | 119.9° | 120.0° |
| C21 | C20 | C26 | H45 | 12.5° | 8.7° |
| C8 | C7 | C6 | H17 | 180.0° | 179.4° |
| C8 | C7 | C6 | C5 | 20.8° | 160.1° |
| C8 | C7 | C6 | H3 | 102.0° | 39.9° |
| C8 | C7 | C6 | H4 | 143.6° | 79.9° |
| C7 | C8 | C9 | H19 | 26.0° | 77.2° |
| C22 | N2 | C23 | C24 | 15.9° | 9.7° |
| C22 | N2 | C23 | C25 | 103.8° | 132.7° |
| N2 | C22 | S2 | C24 | 15.8° | 1.6° |
| C22 | N2 | C23 | H42 | 136.7° | 107.8° |
| C23 | N2 | C22 | S2 | 2.1° | 4.5° |
| N2 | C23 | C24 | C25 | 118.2° | 124.5° |
| N2 | C23 | C24 | H42 | 121.3° | 117.4° |
| N2 | C23 | C25 | H42 | 119.8° | 118.8° |
| N2 | C23 | C24 | S2 | 24.4° | 9.3° |
| N2 | C23 | C25 | O4 | 80.3° | 68.9° |
| N2 | C23 | C25 | O3 | 99.9° | 111.1° |
| N2 | C23 | C24 | H43 | 143.1° | 109.0° |
| N2 | C23 | C24 | H44 | 94.3° | 127.7° |
| C22 | S2 | C24 | C23 | 22.1° | 6.2° |
| C22 | S2 | C24 | H43 | 140.8° | 112.0° |
| C22 | S2 | C24 | H44 | 96.7° | 124.6° |
| C1 | C2 | C3 | H8 | 180.0° | 180.0° |
| C1 | C2 | C3 | C5 | 157.4° | 180.0° |
| C1 | C2 | C3 | C4 | 21.2° | 0.0° |
| C2 | C1 | H13 | H14 | 120.0° | 119.9° |
| C2 | C1 | H13 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| C24 | C23 | C25 | H42 | 120.3° | 117.4° |
| C23 | C24 | S2 | H43 | 118.7° | 118.3° |
| C23 | C24 | S2 | H44 | 118.7° | 118.3° |
| C24 | C23 | C25 | O4 | 159.9° | 167.2° |
| C24 | C23 | C25 | O3 | 20.0° | 12.8° |
| C23 | C24 | H43 | H44 | 123.7° | 123.3° |
| C25 | C23 | C24 | S2 | 93.8° | 133.8° |
| C23 | C25 | O4 | O3 | 179.9° | 180.0° |
| C23 | C25 | O4 | C5 | 167.0° | 158.7° |
| C25 | C23 | C24 | H43 | 24.9° | 15.5° |
| C25 | C23 | C24 | H44 | 147.5° | 107.8° |
| C7 | C6 | C5 | O4 | 73.5° | 58.7° |
| C7 | C6 | C5 | H3 | 122.8° | 120.2° |
| C7 | C6 | C5 | H4 | 122.8° | 120.1° |
| C7 | C6 | C5 | C3 | 49.7° | 179.1° |
| C7 | C6 | H3 | H4 | 110.3° | 119.7° |
| C7 | C6 | C5 | H5 | 170.6° | 61.7° |
| C6 | C7 | C8 | H6 | 42.9° | 3.4° |
| C2 | C3 | C5 | O4 | 47.7° | 123.5° |
| C2 | C3 | C5 | C6 | 74.4° | 1.8° |
| C2 | C3 | C5 | C4 | 178.6° | 180.0° |
| C2 | C3 | C5 | H5 | 165.2° | 117.4° |
| C2 | C3 | C4 | H10 | 180.0° | 94.5° |
| C2 | C3 | C4 | H11 | 60.0° | 145.5° |
| C2 | C3 | C4 | H12 | 60.0° | 25.5° |
| C3 | C2 | C1 | H13 | 180.0° | 60.0° |
| C3 | C2 | C1 | H14 | 60.0° | 60.0° |
| C3 | C2 | C1 | H15 | 60.0° | 180.0° |
| S2 | C24 | C23 | H42 | 145.8° | 108.2° |
| S2 | C24 | H43 | H44 | 123.7° | 123.5° |
| C25 | O4 | C5 | C6 | 152.8° | 98.5° |
| C25 | O4 | C5 | C3 | 79.1° | 22.0° |
| C25 | O4 | C5 | H5 | 37.9° | 141.1° |
| O4 | C25 | C23 | H42 | 39.5° | 49.8° |
| C5 | O4 | C25 | O3 | 13.1° | 21.3° |
| O4 | C5 | C6 | C3 | 123.2° | 120.5° |
| O4 | C5 | C6 | H5 | 115.9° | 120.3° |
| O4 | C5 | C3 | H5 | 117.5° | 119.1° |
| O4 | C5 | C3 | C4 | 130.9° | 56.6° |
| O4 | C5 | C6 | H3 | 163.7° | 178.9° |
| O4 | C5 | C6 | H4 | 49.3° | 61.4° |
| O3 | C25 | C23 | H42 | 140.3° | 130.2° |
| C6 | C5 | C3 | H5 | 120.5° | 119.2° |
| C6 | C5 | C3 | C4 | 107.0° | 178.2° |
| C5 | C6 | H3 | H4 | 110.3° | 119.6° |
| C5 | C6 | C7 | H17 | 159.2° | 19.3° |
| C3 | C5 | C6 | H3 | 73.1° | 60.6° |
| C3 | C5 | C6 | H4 | 172.4° | 59.1° |
| C5 | C3 | C2 | H8 | 22.6° | 0.0° |
| C5 | C3 | C4 | H10 | 1.3° | 85.5° |
| C5 | C3 | C4 | H11 | 118.7° | 34.5° |
| C5 | C3 | C4 | H12 | 121.3° | 154.5° |
| C4 | C3 | C5 | H5 | 13.4° | 62.6° |
| C4 | C3 | C2 | H8 | 158.8° | 180.0° |
| C3 | C4 | H10 | H11 | 120.0° | 120.0° |
| C3 | C4 | H10 | H12 | 120.0° | 120.0° |
| C3 | C4 | H11 | H12 | 120.0° | 120.0° |
| H3 | C6 | C5 | H5 | 47.8° | 58.6° |
| H3 | C6 | C7 | H17 | 78.0° | 139.5° |
| H4 | C6 | C5 | H5 | 66.7° | 178.3° |
| H4 | C6 | C7 | H17 | 36.4° | 100.8° |
| H6 | C8 | C7 | H17 | 137.1° | 176.0° |
| H6 | C8 | C9 | H19 | 154.1° | 105.7° |
| H8 | C2 | C1 | H13 | 0.0° | 120.0° |
| H8 | C2 | C1 | H14 | 120.0° | 120.0° |
| H8 | C2 | C1 | H15 | 120.0° | 0.0° |
| H10 | C4 | H11 | H12 | 120.0° | 120.0° |
| H13 | C1 | H14 | H15 | 120.0° | 120.1° |
| H20 | C11 | H21 | H22 | 120.0° | 120.0° |
| H23 | C12 | C13 | H25 | 65.4° | 78.4° |
| H23 | C12 | C13 | H26 | 53.5° | 161.8° |
| H24 | C12 | C13 | H25 | 53.4° | 41.2° |
| H24 | C12 | C13 | H26 | 172.3° | 78.6° |
| H25 | C13 | C14 | H27 | 177.7° | 164.5° |
| H26 | C13 | C14 | H27 | 63.4° | 75.8° |
| H27 | C14 | O1 | H28 | 62.1° | 59.7° |
| H29 | C16 | H30 | H31 | 120.0° | 120.0° |
| H36 | C21 | H37 | H38 | 120.0° | 120.0° |
| H42 | C23 | C24 | H43 | 95.6° | 133.6° |
| H42 | C23 | C24 | H44 | 27.0° | 10.3° |
| H45 | C26 | O5 | H46 | 60.7° | 57.3° |
