T5C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O36 | S35 | doub | 1.45Å | 1.49Å | |
| S35 | O37 | sing | 1.63Å | 1.50Å | |
| S35 | O38 | doub | 1.45Å | 1.49Å | |
| S35 | C13 | sing | 1.77Å | 1.82Å | |
| O37 | H37 | sing | 0.99Å | 0.95Å | |
| C13 | C12 | sing | 1.52Å | 1.54Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C12 | N1 | sing | 1.45Å | 1.47Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| N1 | C9 | sing | 1.40Å | 1.34Å | |
| N1 | C2 | sing | 1.40Å | 1.34Å | |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C4 | doub | 1.41Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C7 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | S39 | sing | 1.75Å | 1.74Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| S39 | O41 | doub | 1.46Å | 1.50Å | |
| S39 | O40 | sing | 1.64Å | 1.50Å | |
| S39 | O42 | doub | 1.45Å | 1.49Å | |
| O40 | H40 | sing | 0.99Å | 0.95Å | |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C4 | C3 | sing | 1.52Å | 1.52Å | |
| C3 | C11 | sing | 1.54Å | 1.53Å | |
| C3 | C10 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.55Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.10Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C10 | H103 | sing | 1.09Å | 1.11Å | |
| C2 | C14 | doub | 1.34Å | 1.40Å | |
| C14 | C15 | sing | 1.44Å | 1.39Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.34Å | 1.39Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.46Å | 1.39Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | C34 | sing | 1.51Å | 1.54Å | |
| C17 | C18 | doub | 1.35Å | 1.39Å | |
| C34 | H341 | sing | 1.09Å | 1.12Å | |
| C34 | H342 | sing | 1.10Å | 1.11Å | |
| C34 | H343 | sing | 1.10Å | 1.12Å | |
| C18 | C19 | sing | 1.45Å | 1.39Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.11Å | |
| C19 | C20 | doub | 1.34Å | 1.39Å | |
| C20 | H201 | sing | 1.08Å | 1.11Å | |
| C20 | C22 | sing | 1.46Å | 1.40Å | |
| C22 | C23 | sing | 1.54Å | 1.55Å | |
| C22 | N21 | doub | 1.30Å | 1.33Å | |
| C23 | C31 | sing | 1.53Å | 1.54Å | |
| C23 | C30 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.50Å | 1.52Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C31 | H313 | sing | 1.09Å | 1.12Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C30 | H303 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
| C26 | S47 | sing | 1.75Å | 1.74Å | |
| C26 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| S47 | O48 | doub | 1.46Å | 1.50Å | |
| S47 | O50 | sing | 1.63Å | 1.50Å | |
| S47 | O49 | doub | 1.45Å | 1.50Å | |
| O50 | H50 | sing | 0.99Å | 0.95Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | doub | 1.40Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | N21 | sing | 1.41Å | 1.34Å | |
| N21 | C32 | sing | 1.47Å | 1.47Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| C32 | C33 | sing | 1.51Å | 1.54Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.10Å | 1.11Å | |
| C33 | S43 | sing | 1.77Å | 1.82Å | |
| S43 | O46 | doub | 1.45Å | 1.49Å | |
| S43 | O44 | doub | 1.45Å | 1.49Å | |
| S43 | O45 | sing | 1.63Å | 1.50Å | |
| O45 | H45 | sing | 0.99Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O36 | S35 | O37 | 109.2° | 108.8° |
| O36 | S35 | O38 | 110.2° | 121.6° |
| O36 | S35 | C13 | 108.9° | 108.9° |
| O37 | S35 | O38 | 108.7° | 108.7° |
| O37 | S35 | C13 | 109.7° | 97.4° |
| S35 | O37 | H37 | 109.5° | 115.4° |
| O38 | S35 | C13 | 110.2° | 108.7° |
| S35 | C13 | C12 | 117.2° | 112.3° |
| S35 | C13 | H131 | 109.4° | 106.2° |
| S35 | C13 | H132 | 109.4° | 107.0° |
| C12 | C13 | H131 | 109.4° | 110.4° |
| C12 | C13 | H132 | 109.4° | 111.8° |
| C13 | C12 | N1 | 104.5° | 112.2° |
| C13 | C12 | H121 | 114.1° | 111.6° |
| C13 | C12 | H122 | 114.1° | 110.2° |
| H131 | C13 | H132 | 100.7° | 108.9° |
| N1 | C12 | H121 | 114.1° | 107.6° |
| N1 | C12 | H122 | 114.1° | 106.8° |
| C12 | N1 | C9 | 122.9° | 120.7° |
| C12 | N1 | C2 | 122.4° | 128.9° |
| H121 | C12 | H122 | 96.4° | 108.3° |
| C9 | N1 | C2 | 114.7° | 110.4° |
| N1 | C9 | C8 | 130.9° | 129.4° |
| N1 | C9 | C4 | 109.9° | 110.5° |
| N1 | C2 | C3 | 106.6° | 108.7° |
| N1 | C2 | C14 | 128.8° | 128.2° |
| C8 | C9 | C4 | 119.1° | 120.1° |
| C9 | C8 | C7 | 120.4° | 118.7° |
| C9 | C8 | H8 | 120.0° | 121.5° |
| C9 | C4 | C5 | 120.3° | 121.6° |
| C9 | C4 | C3 | 107.2° | 109.1° |
| C7 | C8 | H8 | 119.6° | 119.8° |
| C8 | C7 | C6 | 120.2° | 120.9° |
| C8 | C7 | H7 | 120.0° | 119.8° |
| C6 | C7 | H7 | 119.8° | 119.4° |
| C7 | C6 | S39 | 119.6° | 119.7° |
| C7 | C6 | C5 | 119.8° | 120.6° |
| S39 | C6 | C5 | 120.6° | 119.7° |
| C6 | S39 | O41 | 109.4° | 107.9° |
| C6 | S39 | O40 | 109.2° | 105.2° |
| C6 | S39 | O42 | 110.2° | 106.9° |
| C6 | C5 | C4 | 120.1° | 118.2° |
| C6 | C5 | H5 | 119.7° | 120.4° |
| O41 | S39 | O40 | 109.2° | 106.9° |
| O41 | S39 | O42 | 110.2° | 120.7° |
| O40 | S39 | O42 | 108.6° | 108.1° |
| S39 | O40 | H40 | 109.5° | 115.3° |
| C4 | C5 | H5 | 120.2° | 121.4° |
| C5 | C4 | C3 | 132.5° | 129.3° |
| C4 | C3 | C11 | 108.6° | 110.4° |
| C4 | C3 | C10 | 109.2° | 110.4° |
| C4 | C3 | C2 | 101.6° | 101.3° |
| C11 | C3 | C10 | 112.1° | 110.9° |
| C11 | C3 | C2 | 112.0° | 111.7° |
| C3 | C11 | H111 | 111.3° | 110.6° |
| C3 | C11 | H112 | 111.3° | 110.6° |
| C3 | C11 | H113 | 112.0° | 110.6° |
| C10 | C3 | C2 | 112.7° | 111.7° |
| C3 | C10 | H101 | 111.0° | 110.6° |
| C3 | C10 | H102 | 111.0° | 110.5° |
| C3 | C10 | H103 | 112.7° | 110.6° |
| C3 | C2 | C14 | 124.5° | 123.1° |
| H111 | C11 | H112 | 99.1° | 108.3° |
| H111 | C11 | H113 | 111.3° | 108.3° |
| H112 | C11 | H113 | 111.3° | 108.3° |
| H101 | C10 | H102 | 99.3° | 108.4° |
| H101 | C10 | H103 | 111.0° | 108.3° |
| H102 | C10 | H103 | 111.1° | 108.3° |
| C2 | C14 | C15 | 124.8° | 123.2° |
| C2 | C14 | H14 | 118.1° | 118.5° |
| C15 | C14 | H14 | 117.1° | 118.3° |
| C14 | C15 | C16 | 120.3° | 122.7° |
| C14 | C15 | H15 | 119.9° | 116.3° |
| C16 | C15 | H15 | 119.8° | 121.0° |
| C15 | C16 | C17 | 121.4° | 126.3° |
| C15 | C16 | H16 | 119.2° | 117.1° |
| C17 | C16 | H16 | 119.4° | 116.6° |
| C16 | C17 | C34 | 121.4° | 117.4° |
| C16 | C17 | C18 | 118.0° | 124.2° |
| C34 | C17 | C18 | 120.6° | 118.4° |
| C17 | C34 | H341 | 108.0° | 110.8° |
| C17 | C34 | H342 | 107.9° | 110.7° |
| C17 | C34 | H343 | 121.4° | 112.4° |
| C17 | C18 | C19 | 120.8° | 128.5° |
| C17 | C18 | H18 | 119.6° | 117.5° |
| H341 | C34 | H342 | 101.9° | 109.0° |
| H341 | C34 | H343 | 108.0° | 106.9° |
| H342 | C34 | H343 | 108.0° | 106.8° |
| C19 | C18 | H18 | 119.6° | 113.9° |
| C18 | C19 | H191 | 108.7° | 118.4° |
| C18 | C19 | C20 | 119.3° | 122.3° |
| H191 | C19 | C20 | 108.7° | 119.3° |
| C19 | C20 | H201 | 106.6° | 123.4° |
| C19 | C20 | C22 | 125.5° | 118.7° |
| H201 | C20 | C22 | 106.6° | 117.9° |
| C20 | C22 | C23 | 125.3° | 122.1° |
| C20 | C22 | N21 | 128.0° | 126.8° |
| C23 | C22 | N21 | 106.6° | 111.2° |
| C22 | C23 | C31 | 111.8° | 111.1° |
| C22 | C23 | C30 | 111.9° | 111.1° |
| C22 | C23 | C24 | 101.5° | 100.1° |
| C22 | N21 | C29 | 114.6° | 110.2° |
| C22 | N21 | C32 | 122.4° | 130.1° |
| C31 | C23 | C30 | 111.6° | 111.4° |
| C31 | C23 | C24 | 109.6° | 111.4° |
| C23 | C31 | H311 | 111.4° | 110.5° |
| C23 | C31 | H312 | 111.3° | 110.5° |
| C23 | C31 | H313 | 111.8° | 110.6° |
| C30 | C23 | C24 | 110.1° | 111.3° |
| C23 | C30 | H301 | 111.3° | 110.5° |
| C23 | C30 | H302 | 111.3° | 110.5° |
| C23 | C30 | H303 | 111.9° | 110.5° |
| C23 | C24 | C25 | 132.7° | 130.6° |
| C23 | C24 | C29 | 107.0° | 108.6° |
| H311 | C31 | H312 | 99.0° | 108.4° |
| H311 | C31 | H313 | 111.3° | 108.4° |
| H312 | C31 | H313 | 111.4° | 108.4° |
| H301 | C30 | H302 | 99.0° | 108.4° |
| H301 | C30 | H303 | 111.3° | 108.4° |
| H302 | C30 | H303 | 111.3° | 108.4° |
| C25 | C24 | C29 | 120.3° | 120.8° |
| C24 | C25 | H25 | 120.4° | 120.7° |
| C24 | C25 | C26 | 119.7° | 118.2° |
| C24 | C29 | C28 | 119.4° | 121.9° |
| C24 | C29 | N21 | 110.1° | 109.9° |
| H25 | C25 | C26 | 120.0° | 121.1° |
| C25 | C26 | S47 | 121.2° | 119.7° |
| C25 | C26 | C27 | 120.1° | 120.7° |
| S47 | C26 | C27 | 118.7° | 119.6° |
| C26 | S47 | O48 | 109.0° | 107.9° |
| C26 | S47 | O50 | 110.0° | 105.2° |
| C26 | S47 | O49 | 108.8° | 106.9° |
| C26 | C27 | H27 | 119.7° | 120.2° |
| C26 | C27 | C28 | 120.4° | 120.8° |
| O48 | S47 | O50 | 109.3° | 107.0° |
| O48 | S47 | O49 | 109.4° | 120.7° |
| O50 | S47 | O49 | 110.3° | 108.1° |
| S47 | O50 | H50 | 109.5° | 115.2° |
| H27 | C27 | C28 | 119.9° | 119.0° |
| C27 | C28 | H28 | 119.8° | 119.8° |
| C27 | C28 | C29 | 120.1° | 117.6° |
| H28 | C28 | C29 | 120.1° | 122.5° |
| C28 | C29 | N21 | 130.3° | 128.3° |
| C29 | N21 | C32 | 122.9° | 119.6° |
| N21 | C32 | H321 | 114.1° | 107.4° |
| N21 | C32 | H322 | 114.1° | 106.6° |
| N21 | C32 | C33 | 104.4° | 109.8° |
| H321 | C32 | H322 | 96.4° | 109.3° |
| H321 | C32 | C33 | 114.1° | 112.6° |
| H322 | C32 | C33 | 114.1° | 110.9° |
| C32 | C33 | H331 | 109.4° | 109.9° |
| C32 | C33 | H332 | 109.4° | 112.5° |
| C32 | C33 | S43 | 117.2° | 112.8° |
| H331 | C33 | H332 | 100.7° | 108.4° |
| H331 | C33 | S43 | 109.4° | 105.7° |
| H332 | C33 | S43 | 109.4° | 107.1° |
| C33 | S43 | O46 | 109.8° | 108.8° |
| C33 | S43 | O44 | 108.8° | 108.7° |
| C33 | S43 | O45 | 109.7° | 97.4° |
| O46 | S43 | O44 | 109.9° | 121.6° |
| O46 | S43 | O45 | 109.0° | 108.8° |
| O44 | S43 | O45 | 109.6° | 108.8° |
| S43 | O45 | H45 | 109.5° | 115.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O36 | S35 | O37 | O38 | 120.2° | 134.4° |
| O36 | S35 | O37 | C13 | 119.2° | 112.9° |
| O36 | S35 | O38 | C13 | 120.2° | 127.6° |
| O36 | S35 | O37 | H37 | 69.2° | 41.8° |
| O36 | S35 | C13 | C12 | 83.3° | 60.0° |
| O36 | S35 | C13 | H131 | 151.4° | 179.2° |
| O36 | S35 | C13 | H132 | 42.0° | 63.1° |
| O37 | S35 | O38 | C13 | 120.2° | 105.0° |
| O37 | S35 | C13 | C12 | 157.3° | 172.8° |
| O37 | S35 | C13 | H131 | 32.0° | 66.4° |
| O37 | S35 | C13 | H132 | 77.4° | 49.7° |
| O38 | S35 | O37 | H37 | 170.6° | 176.2° |
| O38 | S35 | C13 | C12 | 37.7° | 74.5° |
| O38 | S35 | C13 | H131 | 87.6° | 46.2° |
| O38 | S35 | C13 | H132 | 163.0° | 162.4° |
| C13 | S35 | O37 | H37 | 50.1° | 71.1° |
| S35 | C13 | C12 | H131 | 125.3° | 118.3° |
| S35 | C13 | C12 | H132 | 125.3° | 120.4° |
| S35 | C13 | H131 | H132 | 115.2° | 114.9° |
| S35 | C13 | C12 | N1 | 160.7° | 178.3° |
| S35 | C13 | C12 | H121 | 74.0° | 60.9° |
| S35 | C13 | C12 | H122 | 35.5° | 59.5° |
| C12 | C13 | H131 | H132 | 115.2° | 123.1° |
| C13 | C12 | N1 | H121 | 125.2° | 123.0° |
| C13 | C12 | N1 | H122 | 125.3° | 120.8° |
| C13 | C12 | H121 | H122 | 120.0° | 121.4° |
| C13 | C12 | N1 | C9 | 85.0° | 83.0° |
| C13 | C12 | N1 | C2 | 95.5° | 97.1° |
| H131 | C13 | C12 | N1 | 35.5° | 60.1° |
| H131 | C13 | C12 | H121 | 160.7° | 179.2° |
| H131 | C13 | C12 | H122 | 89.8° | 58.8° |
| H132 | C13 | C12 | N1 | 74.0° | 61.3° |
| H132 | C13 | C12 | H121 | 51.2° | 59.5° |
| H132 | C13 | C12 | H122 | 160.8° | 179.8° |
| N1 | C12 | H121 | H122 | 120.0° | 115.2° |
| C12 | N1 | C9 | C2 | 179.5° | 179.9° |
| C12 | N1 | C9 | C8 | 2.9° | 0.0° |
| C12 | N1 | C9 | C4 | 179.0° | 180.0° |
| C12 | N1 | C2 | C3 | 179.3° | 179.9° |
| C12 | N1 | C2 | C14 | 0.6° | 0.2° |
| H121 | C12 | N1 | C9 | 40.2° | 40.0° |
| H121 | C12 | N1 | C2 | 139.2° | 139.9° |
| H122 | C12 | N1 | C9 | 149.7° | 156.2° |
| H122 | C12 | N1 | C2 | 29.7° | 23.7° |
| N1 | C9 | C8 | C4 | 175.8° | 180.0° |
| N1 | C9 | C8 | C7 | 177.7° | 180.0° |
| N1 | C9 | C8 | H8 | 2.3° | 0.0° |
| N1 | C9 | C4 | C5 | 178.7° | 180.0° |
| N1 | C9 | C4 | C3 | 2.1° | 0.0° |
| C9 | N1 | C2 | C3 | 1.2° | 0.2° |
| C9 | N1 | C2 | C14 | 178.9° | 179.7° |
| C2 | N1 | C9 | C8 | 176.6° | 179.9° |
| C2 | N1 | C9 | C4 | 0.6° | 0.1° |
| N1 | C2 | C3 | C4 | 2.3° | 0.2° |
| N1 | C2 | C3 | C11 | 118.0° | 117.7° |
| N1 | C2 | C3 | C10 | 114.4° | 117.4° |
| N1 | C2 | C3 | C14 | 179.9° | 179.9° |
| N1 | C2 | C14 | C15 | 179.9° | 179.9° |
| N1 | C2 | C14 | H14 | 0.1° | 0.1° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.9° | 0.0° |
| C9 | C8 | C7 | H7 | 179.1° | 180.0° |
| C8 | C9 | C4 | C5 | 2.1° | 0.0° |
| C8 | C9 | C4 | C3 | 178.7° | 180.0° |
| C4 | C9 | C8 | C7 | 1.9° | 0.0° |
| C4 | C9 | C8 | H8 | 178.1° | 180.0° |
| C9 | C4 | C5 | C6 | 1.2° | 0.1° |
| C9 | C4 | C5 | C3 | 179.0° | 179.9° |
| C9 | C4 | C5 | H5 | 178.8° | 180.0° |
| C9 | C4 | C3 | C11 | 120.8° | 118.6° |
| C9 | C4 | C3 | C10 | 116.7° | 118.4° |
| C9 | C4 | C3 | C2 | 2.6° | 0.1° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | S39 | 179.6° | 180.0° |
| C8 | C7 | C6 | C5 | 0.0° | 0.0° |
| H8 | C8 | C7 | C6 | 179.1° | 180.0° |
| H8 | C8 | C7 | H7 | 0.9° | 0.0° |
| C7 | C6 | S39 | C5 | 179.6° | 180.0° |
| C7 | C6 | S39 | O41 | 31.8° | 23.9° |
| C7 | C6 | S39 | O40 | 87.7° | 90.0° |
| C7 | C6 | S39 | O42 | 153.1° | 155.2° |
| C7 | C6 | C5 | C4 | 0.1° | 0.1° |
| C7 | C6 | C5 | H5 | 179.9° | 179.9° |
| H7 | C7 | C6 | S39 | 0.4° | 0.0° |
| H7 | C7 | C6 | C5 | 180.0° | 180.0° |
| C6 | S39 | O41 | O40 | 119.5° | 112.7° |
| C6 | S39 | O41 | O42 | 121.3° | 123.2° |
| C6 | S39 | O40 | O42 | 120.2° | 114.0° |
| C6 | S39 | O40 | H40 | 87.1° | 63.8° |
| S39 | C6 | C5 | C4 | 179.8° | 179.9° |
| S39 | C6 | C5 | H5 | 0.2° | 0.0° |
| C5 | C6 | S39 | O41 | 148.6° | 156.1° |
| C5 | C6 | S39 | O40 | 92.0° | 90.0° |
| C5 | C6 | S39 | O42 | 27.3° | 24.8° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 179.8° | 180.0° |
| O41 | S39 | O40 | O42 | 120.2° | 131.4° |
| O41 | S39 | O40 | H40 | 153.3° | 50.8° |
| O42 | S39 | O40 | H40 | 33.1° | 177.8° |
| C5 | C4 | C3 | C11 | 60.1° | 61.5° |
| C5 | C4 | C3 | C10 | 62.4° | 61.6° |
| C5 | C4 | C3 | C2 | 178.3° | 179.9° |
| H5 | C5 | C4 | C3 | 0.2° | 0.1° |
| C4 | C3 | C11 | C10 | 120.7° | 122.8° |
| C4 | C3 | C11 | C2 | 111.4° | 111.9° |
| C4 | C3 | C10 | C2 | 112.2° | 111.9° |
| C4 | C3 | C11 | H111 | 56.7° | 154.3° |
| C4 | C3 | C11 | H112 | 166.1° | 34.3° |
| C4 | C3 | C11 | H113 | 68.6° | 85.7° |
| C4 | C3 | C10 | H101 | 166.9° | 169.8° |
| C4 | C3 | C10 | H102 | 57.4° | 49.8° |
| C4 | C3 | C10 | H103 | 67.8° | 70.1° |
| C4 | C3 | C2 | C14 | 177.8° | 179.8° |
| C11 | C3 | C10 | C2 | 127.5° | 125.4° |
| C3 | C11 | H111 | H112 | 117.2° | 121.3° |
| C3 | C11 | H111 | H113 | 125.6° | 121.3° |
| C3 | C11 | H112 | H113 | 125.7° | 121.3° |
| C11 | C3 | C10 | H101 | 72.7° | 67.4° |
| C11 | C3 | C10 | H102 | 177.8° | 172.6° |
| C11 | C3 | C10 | H103 | 52.5° | 52.6° |
| C11 | C3 | C2 | C14 | 62.1° | 62.2° |
| C10 | C3 | C11 | H111 | 177.4° | 31.6° |
| C10 | C3 | C11 | H112 | 73.1° | 88.4° |
| C10 | C3 | C11 | H113 | 52.2° | 151.6° |
| C3 | C10 | H101 | H102 | 116.9° | 121.3° |
| C3 | C10 | H101 | H103 | 126.2° | 121.4° |
| C3 | C10 | H102 | H103 | 126.2° | 121.3° |
| C10 | C3 | C2 | C14 | 65.5° | 62.7° |
| C2 | C3 | C11 | H111 | 54.7° | 93.8° |
| C2 | C3 | C11 | H112 | 54.7° | 146.2° |
| C2 | C3 | C11 | H113 | 180.0° | 26.2° |
| C2 | C3 | C10 | H101 | 54.7° | 58.0° |
| C2 | C3 | C10 | H102 | 54.7° | 62.0° |
| C2 | C3 | C10 | H103 | 180.0° | 178.0° |
| C3 | C2 | C14 | C15 | 0.1° | 0.0° |
| C3 | C2 | C14 | H14 | 179.9° | 179.9° |
| H111 | C11 | H112 | H113 | 117.2° | 117.3° |
| H101 | C10 | H102 | H103 | 116.9° | 117.3° |
| C2 | C14 | C15 | H14 | 180.0° | 179.9° |
| C2 | C14 | C15 | C16 | 179.9° | 180.0° |
| C2 | C14 | C15 | H15 | 0.2° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16 | 0.0° | 0.1° |
| H14 | C14 | C15 | C16 | 0.1° | 0.1° |
| H14 | C14 | C15 | H15 | 179.9° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C34 | 0.1° | 0.0° |
| C15 | C16 | C17 | C18 | 180.0° | 180.0° |
| H15 | C15 | C16 | C17 | 0.0° | 0.0° |
| H15 | C15 | C16 | H16 | 180.0° | 180.0° |
| C16 | C17 | C34 | C18 | 179.9° | 180.0° |
| C16 | C17 | C34 | H341 | 54.7° | 60.4° |
| C16 | C17 | C34 | H342 | 54.7° | 60.7° |
| C16 | C17 | C34 | H343 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 180.0° | 180.0° |
| C16 | C17 | C18 | H18 | 0.0° | 0.0° |
| H16 | C16 | C17 | C34 | 179.9° | 180.0° |
| H16 | C16 | C17 | C18 | 0.0° | 0.0° |
| C17 | C34 | H341 | H342 | 113.6° | 122.1° |
| C17 | C34 | H341 | H343 | 132.9° | 122.7° |
| C17 | C34 | H342 | H343 | 132.8° | 122.7° |
| C34 | C17 | C18 | C19 | 0.1° | 0.0° |
| C34 | C17 | C18 | H18 | 179.9° | 180.0° |
| C18 | C17 | C34 | H341 | 125.4° | 119.6° |
| C18 | C17 | C34 | H342 | 125.1° | 119.3° |
| C18 | C17 | C34 | H343 | 0.1° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | H191 | 54.7° | 0.0° |
| C17 | C18 | C19 | C20 | 179.9° | 180.0° |
| H341 | C34 | H342 | H343 | 113.6° | 115.2° |
| C18 | C19 | H191 | C20 | 131.2° | 180.0° |
| C18 | C19 | C20 | H201 | 54.9° | 0.0° |
| C18 | C19 | C20 | C22 | 179.8° | 180.0° |
| H18 | C18 | C19 | H191 | 125.3° | 180.0° |
| H18 | C18 | C19 | C20 | 0.1° | 0.0° |
| H191 | C19 | C20 | H201 | 179.8° | 180.0° |
| H191 | C19 | C20 | C22 | 54.6° | 0.0° |
| C19 | C20 | H201 | C22 | 136.1° | 180.0° |
| C19 | C20 | C22 | C23 | 0.1° | 90.0° |
| C19 | C20 | C22 | N21 | 179.7° | 90.1° |
| H201 | C20 | C22 | C23 | 125.1° | 90.0° |
| H201 | C20 | C22 | N21 | 54.5° | 89.9° |
| C20 | C22 | C23 | N21 | 179.7° | 179.9° |
| C20 | C22 | C23 | C31 | 61.0° | 62.4° |
| C20 | C22 | C23 | C30 | 65.0° | 62.2° |
| C20 | C22 | C23 | C24 | 177.7° | 179.9° |
| C20 | C22 | N21 | C29 | 178.9° | 179.9° |
| C20 | C22 | N21 | C32 | 0.4° | 0.1° |
| C22 | C23 | C31 | C30 | 126.1° | 124.4° |
| C22 | C23 | C31 | C24 | 111.7° | 110.7° |
| C22 | C23 | C30 | C24 | 112.0° | 110.6° |
| C22 | C23 | C31 | H311 | 54.8° | 64.3° |
| C22 | C23 | C31 | H312 | 54.7° | 55.7° |
| C22 | C23 | C31 | H313 | 180.0° | 175.7° |
| C22 | C23 | C30 | H301 | 54.7° | 20.4° |
| C22 | C23 | C30 | H302 | 54.7° | 99.6° |
| C22 | C23 | C30 | H303 | 180.0° | 140.4° |
| C22 | C23 | C24 | C25 | 177.9° | 180.0° |
| C22 | C23 | C24 | C29 | 2.9° | 0.0° |
| C23 | C22 | N21 | C29 | 1.5° | 0.0° |
| C23 | C22 | N21 | C32 | 179.3° | 180.0° |
| N21 | C22 | C23 | C31 | 119.3° | 117.7° |
| N21 | C22 | C23 | C30 | 114.7° | 117.7° |
| N21 | C22 | C23 | C24 | 2.6° | 0.0° |
| C22 | N21 | C29 | C24 | 0.5° | 0.0° |
| C22 | N21 | C29 | C28 | 176.4° | 179.9° |
| C22 | N21 | C29 | C32 | 179.2° | 180.0° |
| C22 | N21 | C32 | H321 | 33.3° | 140.0° |
| C22 | N21 | C32 | H322 | 142.9° | 22.9° |
| C22 | N21 | C32 | C33 | 91.9° | 97.3° |
| C31 | C23 | C30 | C24 | 121.9° | 125.0° |
| C23 | C31 | H311 | H312 | 117.3° | 121.3° |
| C23 | C31 | H311 | H313 | 125.5° | 121.3° |
| C23 | C31 | H312 | H313 | 125.5° | 121.3° |
| C31 | C23 | C30 | H301 | 71.3° | 144.8° |
| C31 | C23 | C30 | H302 | 179.2° | 24.8° |
| C31 | C23 | C30 | H303 | 53.9° | 95.2° |
| C31 | C23 | C24 | C25 | 59.6° | 62.5° |
| C31 | C23 | C24 | C29 | 121.2° | 117.5° |
| C30 | C23 | C31 | H311 | 179.1° | 60.1° |
| C30 | C23 | C31 | H312 | 71.4° | 179.9° |
| C30 | C23 | C31 | H313 | 53.9° | 59.9° |
| C23 | C30 | H301 | H302 | 117.2° | 121.3° |
| C23 | C30 | H301 | H303 | 125.6° | 121.3° |
| C23 | C30 | H302 | H303 | 125.6° | 121.3° |
| C30 | C23 | C24 | C25 | 63.4° | 62.4° |
| C30 | C23 | C24 | C29 | 115.7° | 117.6° |
| C24 | C23 | C31 | H311 | 57.0° | 174.9° |
| C24 | C23 | C31 | H312 | 166.5° | 54.9° |
| C24 | C23 | C31 | H313 | 68.3° | 65.1° |
| C24 | C23 | C30 | H301 | 166.8° | 90.2° |
| C24 | C23 | C30 | H302 | 57.3° | 149.8° |
| C24 | C23 | C30 | H303 | 68.0° | 29.7° |
| C23 | C24 | C25 | C29 | 179.1° | 180.0° |
| C23 | C24 | C25 | H25 | 0.1° | 0.1° |
| C23 | C24 | C25 | C26 | 179.9° | 180.0° |
| C23 | C24 | C29 | C28 | 178.7° | 180.0° |
| C23 | C24 | C29 | N21 | 2.3° | 0.0° |
| H311 | C31 | H312 | H313 | 117.2° | 117.4° |
| H301 | C30 | H302 | H303 | 117.2° | 117.4° |
| C24 | C25 | H25 | C26 | 180.0° | 179.9° |
| C24 | C25 | C26 | S47 | 179.9° | 180.0° |
| C24 | C25 | C26 | C27 | 0.2° | 0.1° |
| C25 | C24 | C29 | C28 | 2.0° | 0.0° |
| C25 | C24 | C29 | N21 | 178.4° | 180.0° |
| C29 | C24 | C25 | H25 | 179.1° | 179.9° |
| C29 | C24 | C25 | C26 | 1.0° | 0.0° |
| C24 | C29 | C28 | C27 | 1.9° | 0.0° |
| C24 | C29 | C28 | H28 | 178.1° | 179.9° |
| C24 | C29 | C28 | N21 | 175.6° | 179.9° |
| C24 | C29 | N21 | C32 | 178.8° | 180.0° |
| H25 | C25 | C26 | S47 | 0.1° | 0.1° |
| H25 | C25 | C26 | C27 | 179.8° | 180.0° |
| C25 | C26 | S47 | C27 | 179.9° | 179.9° |
| C25 | C26 | S47 | O48 | 114.2° | 156.0° |
| C25 | C26 | S47 | O50 | 5.6° | 90.1° |
| C25 | C26 | S47 | O49 | 126.6° | 24.8° |
| C25 | C26 | C27 | H27 | 179.7° | 179.9° |
| C25 | C26 | C27 | C28 | 0.3° | 0.1° |
| C26 | S47 | O48 | O50 | 120.2° | 112.8° |
| C26 | S47 | O48 | O49 | 118.9° | 123.2° |
| C26 | S47 | O50 | O49 | 120.0° | 113.9° |
| C26 | S47 | O50 | H50 | 115.2° | 63.8° |
| S47 | C26 | C27 | H27 | 0.2° | 0.0° |
| S47 | C26 | C27 | C28 | 179.8° | 180.0° |
| C27 | C26 | S47 | O48 | 65.9° | 24.0° |
| C27 | C26 | S47 | O50 | 174.3° | 90.0° |
| C27 | C26 | S47 | O49 | 53.3° | 155.2° |
| C26 | C27 | H27 | C28 | 180.0° | 180.0° |
| C26 | C27 | C28 | H28 | 179.2° | 179.9° |
| C26 | C27 | C28 | C29 | 0.8° | 0.0° |
| O48 | S47 | O50 | O49 | 120.3° | 131.4° |
| O48 | S47 | O50 | H50 | 4.4° | 50.8° |
| O49 | S47 | O50 | H50 | 124.8° | 177.8° |
| H27 | C27 | C28 | H28 | 0.8° | 0.1° |
| H27 | C27 | C28 | C29 | 179.2° | 180.0° |
| C27 | C28 | H28 | C29 | 180.0° | 179.9° |
| C27 | C28 | C29 | N21 | 177.5° | 180.0° |
| H28 | C28 | C29 | N21 | 2.5° | 0.1° |
| C28 | C29 | N21 | C32 | 2.8° | 0.1° |
| C29 | N21 | C32 | H321 | 145.8° | 40.0° |
| C29 | N21 | C32 | H322 | 36.3° | 157.1° |
| C29 | N21 | C32 | C33 | 88.9° | 82.7° |
| N21 | C32 | H321 | H322 | 120.0° | 115.3° |
| N21 | C32 | H321 | C33 | 119.9° | 121.1° |
| N21 | C32 | H322 | C33 | 119.9° | 119.5° |
| N21 | C32 | C33 | H331 | 66.8° | 60.0° |
| N21 | C32 | C33 | H332 | 42.7° | 61.0° |
| N21 | C32 | C33 | S43 | 168.0° | 177.7° |
| H321 | C32 | H322 | C33 | 120.0° | 124.6° |
| H321 | C32 | C33 | H331 | 168.0° | 179.6° |
| H321 | C32 | C33 | H332 | 82.6° | 58.6° |
| H321 | C32 | C33 | S43 | 42.7° | 62.7° |
| H322 | C32 | C33 | H331 | 58.5° | 57.6° |
| H322 | C32 | C33 | H332 | 167.9° | 178.6° |
| H322 | C32 | C33 | S43 | 66.8° | 60.1° |
| C32 | C33 | H331 | H332 | 115.2° | 123.4° |
| C32 | C33 | H331 | S43 | 129.6° | 122.0° |
| C32 | C33 | H332 | S43 | 129.6° | 124.5° |
| C32 | C33 | S43 | O46 | 45.2° | 60.0° |
| C32 | C33 | S43 | O44 | 75.2° | 74.5° |
| C32 | C33 | S43 | O45 | 164.9° | 172.8° |
| H331 | C33 | H332 | S43 | 115.2° | 113.6° |
| H331 | C33 | S43 | O46 | 170.4° | 179.9° |
| H331 | C33 | S43 | O44 | 50.0° | 45.7° |
| H331 | C33 | S43 | O45 | 69.8° | 67.1° |
| H332 | C33 | S43 | O46 | 80.1° | 64.4° |
| H332 | C33 | S43 | O44 | 159.5° | 161.2° |
| H332 | C33 | S43 | O45 | 39.6° | 48.4° |
| C33 | S43 | O46 | O44 | 119.7° | 127.4° |
| C33 | S43 | O46 | O45 | 120.2° | 105.1° |
| C33 | S43 | O44 | O45 | 119.9° | 105.0° |
| C33 | S43 | O45 | H45 | 127.4° | 71.2° |
| O46 | S43 | O44 | O45 | 119.7° | 127.5° |
| O46 | S43 | O45 | H45 | 7.1° | 41.7° |
| O44 | S43 | O45 | H45 | 113.2° | 176.1° |
