3UN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C1 | sing | 1.40Å | 1.37Å | |
| N | S12 | sing | 1.66Å | 1.63Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| O48 | C36 | doub | 1.21Å | 1.23Å | |
| C36 | O49 | sing | 1.34Å | 1.44Å | |
| C36 | C11 | sing | 1.51Å | 1.51Å | |
| O49 | C51 | sing | 1.45Å | 1.43Å | |
| C51 | C54 | sing | 1.53Å | 1.51Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C54 | H543 | sing | 1.09Å | 1.10Å | |
| C11 | C15 | sing | 1.53Å | 1.53Å | |
| C11 | C14 | sing | 1.51Å | 1.51Å | |
| C11 | C35 | sing | 1.53Å | 1.55Å | |
| C15 | C44 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C44 | N39 | sing | 1.46Å | 1.47Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| N39 | C37 | sing | 1.35Å | 1.34Å | |
| N39 | H39 | sing | 0.97Å | 1.00Å | |
| C37 | O38 | doub | 1.22Å | 1.22Å | |
| C37 | O19 | sing | 1.35Å | 1.46Å | |
| O19 | C20 | sing | 1.45Å | 1.44Å | |
| C20 | C23 | sing | 1.53Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C14 | O47 | sing | 1.34Å | 1.45Å | |
| C14 | O46 | doub | 1.21Å | 1.22Å | |
| O47 | C50 | sing | 1.45Å | 1.44Å | |
| C50 | C60 | sing | 1.53Å | 1.51Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C60 | H601 | sing | 1.09Å | 1.10Å | |
| C60 | H602 | sing | 1.09Å | 1.10Å | |
| C60 | H603 | sing | 1.09Å | 1.10Å | |
| C35 | C2 | sing | 1.51Å | 1.52Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C2 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| S12 | O17 | doub | 1.42Å | 1.47Å | |
| S12 | O18 | doub | 1.42Å | 1.48Å | |
| S12 | O34 | sing | 1.52Å | 1.47Å | |
| O34 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N | S12 | 121.2° | 120.0° |
| C1 | N | HN | 105.7° | 119.9° |
| N | C1 | C4 | 120.8° | 120.1° |
| N | C1 | C3 | 120.1° | 120.1° |
| S12 | N | HN | 105.7° | 120.0° |
| N | S12 | O17 | 101.2° | 105.8° |
| N | S12 | O18 | 102.6° | 105.8° |
| N | S12 | O34 | 107.2° | 107.4° |
| O48 | C36 | O49 | 116.9° | 120.0° |
| O48 | C36 | C11 | 124.1° | 120.0° |
| O49 | C36 | C11 | 119.0° | 120.0° |
| C36 | O49 | C51 | 120.3° | 120.0° |
| C36 | C11 | C15 | 111.2° | 109.5° |
| C36 | C11 | C14 | 108.6° | 109.4° |
| C36 | C11 | C35 | 105.2° | 109.5° |
| O49 | C51 | C54 | 107.9° | 109.5° |
| O49 | C51 | H511 | 110.3° | 109.4° |
| O49 | C51 | H512 | 110.0° | 109.5° |
| C54 | C51 | H511 | 110.3° | 109.4° |
| C54 | C51 | H512 | 110.0° | 109.5° |
| C51 | C54 | H541 | 109.5° | 109.5° |
| C51 | C54 | H542 | 109.5° | 109.5° |
| C51 | C54 | H543 | 109.5° | 109.5° |
| H511 | C51 | H512 | 108.3° | 109.5° |
| H541 | C54 | H542 | 109.5° | 109.5° |
| H541 | C54 | H543 | 109.5° | 109.4° |
| H542 | C54 | H543 | 109.5° | 109.5° |
| C15 | C11 | C14 | 110.4° | 109.5° |
| C15 | C11 | C35 | 112.9° | 109.5° |
| C11 | C15 | C44 | 117.2° | 109.5° |
| C11 | C15 | H151 | 105.2° | 109.4° |
| C11 | C15 | H152 | 107.0° | 109.5° |
| C14 | C11 | C35 | 108.3° | 109.5° |
| C11 | C14 | O47 | 117.2° | 120.0° |
| C11 | C14 | O46 | 122.3° | 120.0° |
| C11 | C35 | C2 | 109.8° | 109.5° |
| C11 | C35 | H351 | 109.3° | 109.5° |
| C11 | C35 | H352 | 109.3° | 109.4° |
| C44 | C15 | H151 | 105.2° | 109.5° |
| C44 | C15 | H152 | 107.0° | 109.5° |
| C15 | C44 | N39 | 110.9° | 109.4° |
| C15 | C44 | H441 | 108.7° | 109.4° |
| C15 | C44 | H442 | 109.0° | 109.5° |
| H151 | C15 | H152 | 115.8° | 109.5° |
| N39 | C44 | H441 | 108.7° | 109.5° |
| N39 | C44 | H442 | 109.0° | 109.5° |
| C44 | N39 | C37 | 129.0° | 120.0° |
| C44 | N39 | H39 | 115.5° | 120.0° |
| H441 | C44 | H442 | 110.6° | 109.5° |
| C37 | N39 | H39 | 115.5° | 120.0° |
| N39 | C37 | O38 | 122.3° | 120.0° |
| N39 | C37 | O19 | 121.6° | 120.0° |
| O38 | C37 | O19 | 116.1° | 120.0° |
| C37 | O19 | C20 | 123.3° | 120.0° |
| O19 | C20 | C23 | 111.2° | 109.5° |
| O19 | C20 | C22 | 110.5° | 109.5° |
| O19 | C20 | C21 | 108.3° | 109.5° |
| C23 | C20 | C22 | 107.2° | 109.5° |
| C23 | C20 | C21 | 110.2° | 109.5° |
| C20 | C23 | H231 | 109.4° | 109.5° |
| C20 | C23 | H232 | 109.5° | 109.5° |
| C20 | C23 | H233 | 109.5° | 109.5° |
| C22 | C20 | C21 | 109.4° | 109.5° |
| C20 | C22 | H221 | 109.5° | 109.4° |
| C20 | C22 | H222 | 109.5° | 109.4° |
| C20 | C22 | H223 | 109.5° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| C20 | C21 | H212 | 109.4° | 109.5° |
| C20 | C21 | H213 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H231 | C23 | H233 | 109.4° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.4° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.4° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.4° |
| O47 | C14 | O46 | 120.5° | 120.0° |
| C14 | O47 | C50 | 117.6° | 120.0° |
| O47 | C50 | C60 | 108.4° | 109.5° |
| O47 | C50 | H501 | 110.1° | 109.5° |
| O47 | C50 | H502 | 109.8° | 109.4° |
| C60 | C50 | H501 | 110.1° | 109.5° |
| C60 | C50 | H502 | 109.9° | 109.5° |
| C50 | C60 | H601 | 109.4° | 109.5° |
| C50 | C60 | H602 | 109.5° | 109.5° |
| C50 | C60 | H603 | 109.5° | 109.5° |
| H501 | C50 | H502 | 108.6° | 109.5° |
| H601 | C60 | H602 | 109.5° | 109.4° |
| H601 | C60 | H603 | 109.4° | 109.5° |
| H602 | C60 | H603 | 109.4° | 109.5° |
| C2 | C35 | H351 | 109.3° | 109.5° |
| C2 | C35 | H352 | 109.4° | 109.5° |
| C35 | C2 | C5 | 121.3° | 119.9° |
| C35 | C2 | C6 | 119.6° | 120.0° |
| H351 | C35 | H352 | 109.7° | 109.5° |
| C5 | C2 | C6 | 119.1° | 120.2° |
| C2 | C5 | C4 | 120.8° | 120.1° |
| C2 | C5 | H5 | 119.6° | 120.0° |
| C2 | C6 | C3 | 120.3° | 120.1° |
| C2 | C6 | H6 | 119.9° | 120.0° |
| C4 | C5 | H5 | 119.6° | 119.9° |
| C5 | C4 | C1 | 120.0° | 119.9° |
| C5 | C4 | H4 | 120.0° | 120.1° |
| C1 | C4 | H4 | 120.0° | 120.0° |
| C4 | C1 | C3 | 119.1° | 119.8° |
| C3 | C6 | H6 | 119.8° | 120.0° |
| C6 | C3 | C1 | 120.7° | 120.0° |
| C6 | C3 | H3 | 119.6° | 120.0° |
| C1 | C3 | H3 | 119.7° | 120.0° |
| O17 | S12 | O18 | 114.9° | 125.4° |
| O17 | S12 | O34 | 109.8° | 105.8° |
| O18 | S12 | O34 | 119.0° | 105.7° |
| S12 | O34 | H34 | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N | S12 | HN | 120.0° | 180.0° |
| N | C1 | C4 | C5 | 178.6° | 179.9° |
| N | C1 | C4 | C3 | 179.6° | 179.9° |
| N | C1 | C4 | H4 | 1.4° | 0.0° |
| N | C1 | C3 | C6 | 179.4° | 179.7° |
| N | C1 | C3 | H3 | 0.6° | 0.1° |
| C1 | N | S12 | O17 | 71.0° | 47.6° |
| C1 | N | S12 | O18 | 170.1° | 177.6° |
| C1 | N | S12 | O34 | 44.1° | 65.0° |
| S12 | N | C1 | C4 | 83.0° | 135.0° |
| S12 | N | C1 | C3 | 97.4° | 45.0° |
| N | S12 | O17 | O18 | 109.7° | 123.2° |
| N | S12 | O17 | O34 | 113.0° | 113.7° |
| N | S12 | O18 | O34 | 118.0° | 113.7° |
| N | S12 | O34 | H34 | 130.8° | 180.0° |
| HN | N | C1 | C4 | 37.0° | 45.0° |
| HN | N | C1 | C3 | 142.6° | 135.1° |
| HN | N | S12 | O17 | 169.0° | 132.4° |
| HN | N | S12 | O18 | 50.1° | 2.4° |
| HN | N | S12 | O34 | 76.0° | 115.0° |
| O48 | C36 | O49 | C11 | 179.3° | 179.9° |
| O48 | C36 | O49 | C51 | 8.4° | 0.0° |
| O48 | C36 | C11 | C15 | 136.6° | 120.0° |
| O48 | C36 | C11 | C14 | 15.0° | 0.0° |
| O48 | C36 | C11 | C35 | 100.8° | 120.0° |
| C36 | O49 | C51 | C54 | 133.7° | 180.0° |
| C36 | O49 | C51 | H511 | 13.1° | 60.0° |
| C36 | O49 | C51 | H512 | 106.3° | 60.0° |
| O49 | C36 | C11 | C15 | 44.1° | 60.0° |
| O49 | C36 | C11 | C14 | 165.7° | 179.9° |
| O49 | C36 | C11 | C35 | 78.5° | 60.1° |
| C11 | C36 | O49 | C51 | 170.9° | 180.0° |
| C36 | C11 | C15 | C14 | 120.6° | 120.0° |
| C36 | C11 | C15 | C35 | 118.0° | 120.0° |
| C36 | C11 | C14 | C35 | 113.8° | 120.0° |
| C36 | C11 | C15 | C44 | 65.5° | 60.0° |
| C36 | C11 | C15 | H151 | 178.1° | 60.0° |
| C36 | C11 | C15 | H152 | 54.5° | 180.0° |
| C36 | C11 | C14 | O47 | 55.8° | 180.0° |
| C36 | C11 | C14 | O46 | 124.3° | 0.0° |
| C36 | C11 | C35 | C2 | 169.7° | 59.9° |
| C36 | C11 | C35 | H351 | 49.8° | 180.0° |
| C36 | C11 | C35 | H352 | 70.3° | 60.0° |
| O49 | C51 | C54 | H511 | 120.6° | 119.9° |
| O49 | C51 | C54 | H512 | 120.0° | 120.1° |
| O49 | C51 | H511 | H512 | 120.4° | 120.0° |
| O49 | C51 | C54 | H541 | 153.1° | 60.0° |
| O49 | C51 | C54 | H542 | 86.8° | 60.0° |
| O49 | C51 | C54 | H543 | 33.2° | 180.0° |
| C54 | C51 | H511 | H512 | 120.4° | 120.0° |
| C51 | C54 | H541 | H542 | 120.0° | 120.0° |
| C51 | C54 | H541 | H543 | 120.0° | 120.0° |
| C51 | C54 | H542 | H543 | 120.0° | 120.0° |
| H511 | C51 | C54 | H541 | 32.5° | 59.9° |
| H511 | C51 | C54 | H542 | 152.5° | 179.9° |
| H511 | C51 | C54 | H543 | 87.5° | 60.0° |
| H512 | C51 | C54 | H541 | 86.9° | 179.9° |
| H512 | C51 | C54 | H542 | 33.2° | 60.1° |
| H512 | C51 | C54 | H543 | 153.1° | 60.0° |
| H541 | C54 | H542 | H543 | 120.0° | 119.9° |
| C15 | C11 | C14 | C35 | 124.1° | 120.0° |
| C11 | C15 | C44 | H151 | 116.4° | 120.0° |
| C11 | C15 | C44 | H152 | 120.0° | 120.0° |
| C11 | C15 | H151 | H152 | 117.8° | 120.0° |
| C11 | C15 | C44 | N39 | 177.4° | 180.0° |
| C11 | C15 | C44 | H441 | 58.0° | 60.0° |
| C11 | C15 | C44 | H442 | 62.6° | 60.0° |
| C15 | C11 | C14 | O47 | 177.9° | 60.0° |
| C15 | C11 | C14 | O46 | 2.2° | 120.0° |
| C15 | C11 | C35 | C2 | 68.9° | 180.0° |
| C15 | C11 | C35 | H351 | 171.3° | 59.9° |
| C15 | C11 | C35 | H352 | 51.1° | 60.0° |
| C14 | C11 | C15 | C44 | 55.0° | 60.0° |
| C14 | C11 | C15 | H151 | 61.4° | 180.0° |
| C14 | C11 | C15 | H152 | 175.0° | 60.0° |
| C11 | C14 | O47 | O46 | 180.0° | 180.0° |
| C11 | C14 | O47 | C50 | 170.2° | 180.0° |
| C14 | C11 | C35 | C2 | 53.7° | 60.0° |
| C14 | C11 | C35 | H351 | 66.2° | 60.1° |
| C14 | C11 | C35 | H352 | 173.7° | 180.0° |
| C35 | C11 | C15 | C44 | 176.4° | 180.0° |
| C35 | C11 | C15 | H151 | 60.1° | 60.0° |
| C35 | C11 | C15 | H152 | 63.6° | 60.0° |
| C35 | C11 | C14 | O47 | 58.0° | 60.0° |
| C35 | C11 | C14 | O46 | 121.9° | 120.0° |
| C11 | C35 | C2 | H351 | 119.9° | 120.0° |
| C11 | C35 | C2 | H352 | 120.0° | 119.9° |
| C11 | C35 | H351 | H352 | 119.9° | 119.9° |
| C11 | C35 | C2 | C5 | 98.3° | 90.0° |
| C11 | C35 | C2 | C6 | 81.5° | 90.3° |
| C44 | C15 | H151 | H152 | 117.8° | 120.1° |
| C15 | C44 | N39 | H441 | 119.4° | 120.0° |
| C15 | C44 | N39 | H442 | 120.0° | 120.0° |
| C15 | C44 | H441 | H442 | 119.6° | 120.0° |
| C15 | C44 | N39 | C37 | 95.8° | 180.0° |
| C15 | C44 | N39 | H39 | 84.3° | 0.0° |
| H151 | C15 | C44 | N39 | 66.2° | 60.0° |
| H151 | C15 | C44 | H441 | 174.4° | 180.0° |
| H151 | C15 | C44 | H442 | 53.8° | 60.0° |
| H152 | C15 | C44 | N39 | 57.4° | 60.0° |
| H152 | C15 | C44 | H441 | 62.0° | 60.0° |
| H152 | C15 | C44 | H442 | 177.4° | 180.0° |
| N39 | C44 | H441 | H442 | 119.6° | 120.1° |
| C44 | N39 | C37 | H39 | 180.0° | 180.0° |
| C44 | N39 | C37 | O38 | 1.2° | 0.0° |
| C44 | N39 | C37 | O19 | 179.1° | 180.0° |
| H441 | C44 | N39 | C37 | 144.8° | 60.0° |
| H441 | C44 | N39 | H39 | 35.1° | 120.0° |
| H442 | C44 | N39 | C37 | 24.2° | 60.0° |
| H442 | C44 | N39 | H39 | 155.7° | 120.0° |
| N39 | C37 | O38 | O19 | 179.7° | 180.0° |
| N39 | C37 | O19 | C20 | 171.7° | 180.0° |
| H39 | N39 | C37 | O38 | 178.8° | 180.0° |
| H39 | N39 | C37 | O19 | 0.9° | 0.0° |
| O38 | C37 | O19 | C20 | 8.5° | 0.0° |
| C37 | O19 | C20 | C23 | 36.7° | 60.0° |
| C37 | O19 | C20 | C22 | 155.6° | 180.0° |
| C37 | O19 | C20 | C21 | 84.5° | 60.0° |
| O19 | C20 | C23 | C22 | 120.9° | 120.0° |
| O19 | C20 | C23 | C21 | 120.1° | 120.0° |
| O19 | C20 | C22 | C21 | 119.2° | 120.0° |
| O19 | C20 | C23 | H231 | 54.2° | 60.0° |
| O19 | C20 | C23 | H232 | 174.2° | 180.0° |
| O19 | C20 | C23 | H233 | 65.8° | 60.0° |
| O19 | C20 | C22 | H221 | 133.4° | 60.0° |
| O19 | C20 | C22 | H222 | 106.5° | 180.0° |
| O19 | C20 | C22 | H223 | 13.5° | 60.0° |
| O19 | C20 | C21 | H211 | 0.6° | 60.0° |
| O19 | C20 | C21 | H212 | 119.4° | 180.0° |
| O19 | C20 | C21 | H213 | 120.6° | 60.0° |
| C23 | C20 | C22 | C21 | 119.5° | 120.0° |
| C20 | C23 | H231 | H232 | 120.0° | 120.0° |
| C20 | C23 | H231 | H233 | 120.0° | 120.0° |
| C20 | C23 | H232 | H233 | 120.0° | 120.0° |
| C23 | C20 | C22 | H221 | 12.1° | 180.0° |
| C23 | C20 | C22 | H222 | 132.1° | 60.0° |
| C23 | C20 | C22 | H223 | 107.9° | 60.0° |
| C23 | C20 | C21 | H211 | 121.2° | 60.0° |
| C23 | C20 | C21 | H212 | 118.8° | 60.0° |
| C23 | C20 | C21 | H213 | 1.2° | 180.0° |
| C22 | C20 | C23 | H231 | 175.1° | 60.0° |
| C22 | C20 | C23 | H232 | 64.9° | 60.0° |
| C22 | C20 | C23 | H233 | 55.1° | 180.0° |
| C20 | C22 | H221 | H222 | 120.0° | 119.9° |
| C20 | C22 | H221 | H223 | 120.0° | 120.0° |
| C20 | C22 | H222 | H223 | 120.0° | 120.0° |
| C22 | C20 | C21 | H211 | 121.2° | 180.0° |
| C22 | C20 | C21 | H212 | 1.1° | 60.0° |
| C22 | C20 | C21 | H213 | 118.9° | 60.0° |
| C21 | C20 | C23 | H231 | 65.9° | 180.0° |
| C21 | C20 | C23 | H232 | 54.1° | 60.0° |
| C21 | C20 | C23 | H233 | 174.1° | 60.0° |
| C21 | C20 | C22 | H221 | 107.4° | 60.0° |
| C21 | C20 | C22 | H222 | 12.6° | 60.0° |
| C21 | C20 | C22 | H223 | 132.6° | 180.0° |
| C20 | C21 | H211 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H213 | 120.0° | 120.0° |
| C20 | C21 | H212 | H213 | 120.0° | 119.9° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
| H221 | C22 | H222 | H223 | 120.0° | 120.1° |
| H211 | C21 | H212 | H213 | 120.0° | 120.1° |
| C14 | O47 | C50 | C60 | 174.0° | 180.0° |
| C14 | O47 | C50 | H501 | 53.6° | 60.0° |
| C14 | O47 | C50 | H502 | 66.0° | 60.0° |
| O46 | C14 | O47 | C50 | 9.8° | 0.0° |
| O47 | C50 | C60 | H501 | 120.4° | 120.0° |
| O47 | C50 | C60 | H502 | 120.0° | 119.9° |
| O47 | C50 | H501 | H502 | 120.3° | 120.0° |
| O47 | C50 | C60 | H601 | 105.1° | 60.1° |
| O47 | C50 | C60 | H602 | 14.9° | 180.0° |
| O47 | C50 | C60 | H603 | 134.9° | 60.0° |
| C60 | C50 | H501 | H502 | 120.3° | 120.0° |
| C50 | C60 | H601 | H602 | 120.0° | 120.0° |
| C50 | C60 | H601 | H603 | 120.0° | 120.1° |
| C50 | C60 | H602 | H603 | 120.0° | 120.1° |
| H501 | C50 | C60 | H601 | 134.4° | 60.0° |
| H501 | C50 | C60 | H602 | 105.5° | 60.0° |
| H501 | C50 | C60 | H603 | 14.5° | 180.0° |
| H502 | C50 | C60 | H601 | 14.9° | 180.0° |
| H502 | C50 | C60 | H602 | 134.9° | 60.1° |
| H502 | C50 | C60 | H603 | 105.1° | 60.0° |
| H601 | C60 | H602 | H603 | 120.0° | 119.9° |
| C2 | C35 | H351 | H352 | 119.9° | 120.0° |
| C35 | C2 | C5 | C6 | 179.7° | 179.7° |
| C35 | C2 | C5 | C4 | 179.8° | 180.0° |
| C35 | C2 | C5 | H5 | 0.2° | 0.1° |
| C35 | C2 | C6 | C3 | 178.9° | 179.7° |
| C35 | C2 | C6 | H6 | 1.1° | 0.3° |
| H351 | C35 | C2 | C5 | 21.6° | 30.0° |
| H351 | C35 | C2 | C6 | 158.7° | 149.7° |
| H352 | C35 | C2 | C5 | 141.7° | 150.0° |
| H352 | C35 | C2 | C6 | 38.5° | 29.7° |
| C2 | C5 | C4 | H5 | 180.0° | 179.9° |
| C2 | C5 | C4 | C1 | 1.0° | 0.1° |
| C2 | C5 | C4 | H4 | 179.1° | 180.0° |
| C5 | C2 | C6 | C3 | 0.8° | 0.6° |
| C5 | C2 | C6 | H6 | 179.2° | 180.0° |
| C6 | C2 | C5 | C4 | 0.0° | 0.3° |
| C6 | C2 | C5 | H5 | 180.0° | 179.8° |
| C2 | C6 | C3 | H6 | 180.0° | 179.4° |
| C2 | C6 | C3 | C1 | 0.8° | 0.5° |
| C2 | C6 | C3 | H3 | 179.2° | 179.7° |
| C5 | C4 | C1 | H4 | 180.0° | 180.0° |
| C5 | C4 | C1 | C3 | 1.0° | 0.0° |
| H5 | C5 | C4 | C1 | 179.0° | 180.0° |
| H5 | C5 | C4 | H4 | 1.0° | 0.1° |
| C4 | C1 | C3 | C6 | 0.2° | 0.3° |
| C4 | C1 | C3 | H3 | 179.8° | 180.0° |
| H4 | C4 | C1 | C3 | 179.0° | 180.0° |
| C6 | C3 | C1 | H3 | 180.0° | 179.7° |
| H6 | C6 | C3 | C1 | 179.2° | 180.0° |
| H6 | C6 | C3 | H3 | 0.8° | 0.3° |
| O17 | S12 | O18 | O34 | 133.2° | 123.1° |
| O17 | S12 | O34 | H34 | 120.1° | 67.4° |
| O18 | S12 | O34 | H34 | 15.2° | 67.4° |
