4B3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | C2 | sing | 1.76Å | 1.75Å | Aromatic |
| S1 | C5 | sing | 1.76Å | 1.77Å | Aromatic |
| C2 | C3 | doub | 1.37Å | 1.35Å | Aromatic |
| C2 | C6 | sing | 1.41Å | 1.48Å | |
| C3 | C4 | sing | 1.37Å | 1.48Å | Aromatic |
| C3 | O20 | sing | 1.36Å | 1.33Å | |
| C4 | C5 | doub | 1.36Å | 1.35Å | Aromatic |
| C4 | BR1 | sing | 1.89Å | 1.90Å | |
| C5 | C9 | sing | 1.48Å | 1.51Å | Aromatic |
| C6 | O7 | doub | 1.22Å | 1.25Å | |
| C6 | O8 | sing | 1.35Å | 1.25Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C9 | C10 | sing | 1.40Å | 1.45Å | Aromatic |
| C9 | C14 | doub | 1.40Å | 1.45Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.39Å | 1.46Å | Aromatic |
| C11 | N27 | sing | 1.40Å | 1.38Å | |
| C12 | C13 | doub | 1.38Å | 1.44Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.38Å | 1.44Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| O20 | C21 | sing | 1.43Å | 1.42Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | O25 | sing | 1.34Å | 1.25Å | |
| C22 | O26 | doub | 1.21Å | 1.24Å | |
| O25 | HO25 | sing | 0.97Å | 0.95Å | |
| N27 | C28 | sing | 1.47Å | 1.47Å | |
| N27 | HN27 | sing | 0.97Å | 1.00Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | C34 | sing | 1.53Å | 1.53Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.52Å | 1.55Å | |
| C31 | C42 | sing | 1.54Å | 1.55Å | |
| C31 | C46 | sing | 1.53Å | 1.56Å | |
| C32 | C33 | sing | 1.52Å | 1.54Å | |
| C32 | H321 | sing | 1.10Å | 1.10Å | |
| C32 | H322 | sing | 1.10Å | 1.10Å | |
| C33 | C34 | sing | 1.52Å | 1.54Å | |
| C33 | C50 | sing | 1.54Å | 1.54Å | |
| C33 | C54 | sing | 1.53Å | 1.57Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H423 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H463 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C50 | H503 | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | S1 | C5 | 92.4° | 91.2° |
| S1 | C2 | C3 | 110.6° | 109.6° |
| S1 | C2 | C6 | 119.2° | 125.2° |
| S1 | C5 | C4 | 110.4° | 109.9° |
| S1 | C5 | C9 | 121.6° | 125.0° |
| C3 | C2 | C6 | 130.2° | 125.2° |
| C2 | C3 | C4 | 113.7° | 114.4° |
| C2 | C3 | O20 | 125.1° | 122.8° |
| C2 | C6 | O7 | 114.7° | 120.0° |
| C2 | C6 | O8 | 122.6° | 120.0° |
| C4 | C3 | O20 | 121.1° | 122.8° |
| C3 | C4 | C5 | 112.9° | 114.7° |
| C3 | C4 | BR1 | 119.5° | 122.6° |
| C3 | O20 | C21 | 116.4° | 117.0° |
| C5 | C4 | BR1 | 127.6° | 122.7° |
| C4 | C5 | C9 | 128.0° | 125.0° |
| C5 | C9 | C10 | 122.0° | 120.1° |
| C5 | C9 | C14 | 118.9° | 120.1° |
| O7 | C6 | O8 | 122.6° | 120.0° |
| C6 | O8 | HO8 | 109.5° | 114.0° |
| C10 | C9 | C14 | 118.9° | 119.8° |
| C9 | C10 | C11 | 119.1° | 119.8° |
| C9 | C10 | H10 | 120.5° | 120.1° |
| C9 | C14 | C13 | 123.3° | 120.0° |
| C9 | C14 | H14 | 118.3° | 120.0° |
| C11 | C10 | H10 | 120.4° | 120.2° |
| C10 | C11 | C12 | 120.1° | 120.0° |
| C10 | C11 | N27 | 115.8° | 120.0° |
| C12 | C11 | N27 | 124.0° | 120.0° |
| C11 | C12 | C13 | 122.5° | 120.2° |
| C11 | C12 | H12 | 118.7° | 119.8° |
| C11 | N27 | C28 | 125.0° | 120.0° |
| C11 | N27 | HN27 | 104.6° | 120.0° |
| C13 | C12 | H12 | 118.8° | 119.9° |
| C12 | C13 | C14 | 116.0° | 120.2° |
| C12 | C13 | H13 | 122.0° | 119.9° |
| C14 | C13 | H13 | 122.0° | 119.9° |
| C13 | C14 | H14 | 118.3° | 120.0° |
| O20 | C21 | C22 | 108.7° | 109.5° |
| O20 | C21 | H211 | 109.7° | 109.5° |
| O20 | C21 | H212 | 109.9° | 109.4° |
| C22 | C21 | H211 | 109.7° | 109.5° |
| C22 | C21 | H212 | 109.9° | 109.5° |
| C21 | C22 | O25 | 120.6° | 120.0° |
| C21 | C22 | O26 | 116.4° | 120.0° |
| H211 | C21 | H212 | 108.9° | 109.5° |
| O25 | C22 | O26 | 123.0° | 120.0° |
| C22 | O25 | HO25 | 109.5° | 117.0° |
| C28 | N27 | HN27 | 104.6° | 120.0° |
| N27 | C28 | C30 | 110.7° | 109.0° |
| N27 | C28 | C34 | 109.3° | 109.1° |
| N27 | C28 | H28 | 109.8° | 108.8° |
| C30 | C28 | C34 | 112.4° | 108.9° |
| C30 | C28 | H28 | 106.6° | 110.6° |
| C28 | C30 | C31 | 110.8° | 110.2° |
| C28 | C30 | H301 | 109.0° | 109.3° |
| C28 | C30 | H302 | 108.7° | 109.4° |
| C34 | C28 | H28 | 108.0° | 110.4° |
| C28 | C34 | C33 | 110.2° | 111.1° |
| C28 | C34 | H341 | 109.2° | 109.2° |
| C28 | C34 | H342 | 109.0° | 109.2° |
| C31 | C30 | H301 | 109.0° | 109.4° |
| C31 | C30 | H302 | 108.7° | 109.4° |
| C30 | C31 | C32 | 112.3° | 111.5° |
| C30 | C31 | C42 | 110.6° | 107.5° |
| C30 | C31 | C46 | 110.2° | 110.5° |
| H301 | C30 | H302 | 110.6° | 109.0° |
| C32 | C31 | C42 | 107.4° | 107.8° |
| C32 | C31 | C46 | 109.0° | 111.8° |
| C31 | C32 | C33 | 116.3° | 115.4° |
| C31 | C32 | H321 | 107.3° | 108.7° |
| C31 | C32 | H322 | 105.7° | 108.6° |
| C42 | C31 | C46 | 107.2° | 107.5° |
| C31 | C42 | H421 | 109.5° | 109.5° |
| C31 | C42 | H422 | 109.5° | 109.5° |
| C31 | C42 | H423 | 109.4° | 109.5° |
| C31 | C46 | H461 | 109.5° | 109.5° |
| C31 | C46 | H462 | 109.5° | 109.5° |
| C31 | C46 | H463 | 109.5° | 109.5° |
| C33 | C32 | H321 | 107.3° | 108.7° |
| C33 | C32 | H322 | 105.7° | 108.6° |
| C32 | C33 | C34 | 110.6° | 112.4° |
| C32 | C33 | C50 | 104.5° | 107.8° |
| C32 | C33 | C54 | 113.8° | 111.5° |
| H321 | C32 | H322 | 114.9° | 106.4° |
| C34 | C33 | C50 | 108.6° | 107.5° |
| C34 | C33 | C54 | 110.1° | 110.2° |
| C33 | C34 | H341 | 109.2° | 109.4° |
| C33 | C34 | H342 | 109.1° | 109.4° |
| C50 | C33 | C54 | 109.0° | 107.3° |
| C33 | C50 | H501 | 109.5° | 109.5° |
| C33 | C50 | H502 | 109.4° | 109.5° |
| C33 | C50 | H503 | 109.5° | 109.5° |
| C33 | C54 | H541 | 109.5° | 109.5° |
| C33 | C54 | H542 | 109.4° | 109.5° |
| C33 | C54 | H543 | 109.5° | 109.5° |
| H341 | C34 | H342 | 110.0° | 108.5° |
| H421 | C42 | H422 | 109.5° | 109.5° |
| H421 | C42 | H423 | 109.5° | 109.4° |
| H422 | C42 | H423 | 109.5° | 109.4° |
| H461 | C46 | H462 | 109.5° | 109.5° |
| H461 | C46 | H463 | 109.4° | 109.5° |
| H462 | C46 | H463 | 109.5° | 109.4° |
| H501 | C50 | H502 | 109.5° | 109.4° |
| H501 | C50 | H503 | 109.5° | 109.5° |
| H502 | C50 | H503 | 109.5° | 109.4° |
| H541 | C54 | H542 | 109.5° | 109.5° |
| H541 | C54 | H543 | 109.4° | 109.5° |
| H542 | C54 | H543 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C2 | C3 | C6 | 177.7° | 180.0° |
| S1 | C2 | C3 | C4 | 0.5° | 0.0° |
| S1 | C2 | C3 | O20 | 177.4° | 180.0° |
| C2 | S1 | C5 | C4 | 0.8° | 0.0° |
| C2 | S1 | C5 | C9 | 177.7° | 180.0° |
| S1 | C2 | C6 | O7 | 14.6° | 180.0° |
| S1 | C2 | C6 | O8 | 164.5° | 0.0° |
| C5 | S1 | C2 | C3 | 0.7° | 0.0° |
| C5 | S1 | C2 | C6 | 178.7° | 180.0° |
| S1 | C5 | C4 | C3 | 0.7° | 0.1° |
| S1 | C5 | C4 | C9 | 178.4° | 180.0° |
| S1 | C5 | C4 | BR1 | 179.7° | 180.0° |
| S1 | C5 | C9 | C10 | 137.5° | 131.4° |
| S1 | C5 | C9 | C14 | 37.8° | 48.3° |
| C2 | C3 | C4 | O20 | 177.1° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C2 | C3 | C4 | BR1 | 179.8° | 180.0° |
| C3 | C2 | C6 | O7 | 162.9° | 0.0° |
| C3 | C2 | C6 | O8 | 18.0° | 179.9° |
| C2 | C3 | O20 | C21 | 93.9° | 90.0° |
| C6 | C2 | C3 | C4 | 178.2° | 180.0° |
| C6 | C2 | C3 | O20 | 4.9° | 0.0° |
| C2 | C6 | O7 | O8 | 179.1° | 180.0° |
| C2 | C6 | O8 | HO8 | 179.1° | 180.0° |
| C3 | C4 | C5 | BR1 | 179.6° | 179.9° |
| C3 | C4 | C5 | C9 | 177.7° | 180.0° |
| C4 | C3 | O20 | C21 | 89.4° | 90.0° |
| O20 | C3 | C4 | C5 | 176.9° | 179.9° |
| O20 | C3 | C4 | BR1 | 2.7° | 0.0° |
| C3 | O20 | C21 | C22 | 165.7° | 180.0° |
| C3 | O20 | C21 | H211 | 45.7° | 60.0° |
| C3 | O20 | C21 | H212 | 74.0° | 60.0° |
| C4 | C5 | C9 | C10 | 44.2° | 48.6° |
| C4 | C5 | C9 | C14 | 140.5° | 131.8° |
| BR1 | C4 | C5 | C9 | 1.9° | 0.1° |
| C5 | C9 | C10 | C14 | 175.3° | 179.7° |
| C5 | C9 | C10 | C11 | 175.9° | 180.0° |
| C5 | C9 | C10 | H10 | 4.0° | 0.1° |
| C5 | C9 | C14 | C13 | 174.8° | 179.7° |
| C5 | C9 | C14 | H14 | 5.1° | 0.1° |
| O7 | C6 | O8 | HO8 | 0.0° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 2.0° | 0.0° |
| C9 | C10 | C11 | N27 | 176.5° | 179.9° |
| C10 | C9 | C14 | C13 | 0.6° | 0.6° |
| C10 | C9 | C14 | H14 | 179.4° | 179.8° |
| C14 | C9 | C10 | C11 | 0.6° | 0.3° |
| C14 | C9 | C10 | H10 | 179.4° | 179.7° |
| C9 | C14 | C13 | C12 | 0.4° | 0.6° |
| C9 | C14 | C13 | H14 | 180.0° | 179.6° |
| C9 | C14 | C13 | H13 | 179.6° | 179.7° |
| C10 | C11 | C12 | N27 | 178.4° | 179.9° |
| C10 | C11 | C12 | C13 | 2.3° | 0.0° |
| C10 | C11 | C12 | H12 | 177.7° | 180.0° |
| C10 | C11 | N27 | C28 | 144.3° | 180.0° |
| C10 | C11 | N27 | HN27 | 95.7° | 0.0° |
| H10 | C10 | C11 | C12 | 178.0° | 180.0° |
| H10 | C10 | C11 | N27 | 3.5° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.0° | 0.3° |
| C11 | C12 | C13 | H13 | 179.0° | 180.0° |
| C12 | C11 | N27 | C28 | 34.2° | 0.0° |
| C12 | C11 | N27 | HN27 | 85.8° | 179.9° |
| N27 | C11 | C12 | C13 | 176.1° | 179.9° |
| N27 | C11 | C12 | H12 | 3.9° | 0.0° |
| C11 | N27 | C28 | HN27 | 120.0° | 180.0° |
| C11 | N27 | C28 | C30 | 173.5° | 155.0° |
| C11 | N27 | C28 | C34 | 62.2° | 86.2° |
| C11 | N27 | C28 | H28 | 56.2° | 34.4° |
| C12 | C13 | C14 | H13 | 180.0° | 179.7° |
| C12 | C13 | C14 | H14 | 179.6° | 179.7° |
| H12 | C12 | C13 | C14 | 179.0° | 179.7° |
| H12 | C12 | C13 | H13 | 1.0° | 0.0° |
| H13 | C13 | C14 | H14 | 0.4° | 0.0° |
| O20 | C21 | C22 | H211 | 120.0° | 120.0° |
| O20 | C21 | C22 | H212 | 120.3° | 120.0° |
| O20 | C21 | H211 | H212 | 120.3° | 120.0° |
| O20 | C21 | C22 | O25 | 13.2° | 180.0° |
| O20 | C21 | C22 | O26 | 166.8° | 0.0° |
| C22 | C21 | H211 | H212 | 120.3° | 120.0° |
| C21 | C22 | O25 | O26 | 180.0° | 179.9° |
| C21 | C22 | O25 | HO25 | 180.0° | 180.0° |
| H211 | C21 | C22 | O25 | 133.2° | 60.0° |
| H211 | C21 | C22 | O26 | 46.8° | 120.0° |
| H212 | C21 | C22 | O25 | 107.2° | 60.1° |
| H212 | C21 | C22 | O26 | 72.9° | 120.0° |
| O26 | C22 | O25 | HO25 | 0.0° | 0.0° |
| N27 | C28 | C30 | C34 | 122.5° | 118.9° |
| N27 | C28 | C30 | H28 | 119.4° | 119.5° |
| N27 | C28 | C34 | H28 | 119.5° | 119.5° |
| N27 | C28 | C30 | C31 | 180.0° | 178.7° |
| N27 | C28 | C30 | H301 | 60.0° | 58.4° |
| N27 | C28 | C30 | H302 | 60.6° | 60.9° |
| N27 | C28 | C34 | C33 | 175.8° | 179.4° |
| N27 | C28 | C34 | H341 | 64.2° | 58.7° |
| N27 | C28 | C34 | H342 | 56.0° | 59.8° |
| HN27 | N27 | C28 | C30 | 53.5° | 25.0° |
| HN27 | N27 | C28 | C34 | 177.8° | 93.8° |
| HN27 | N27 | C28 | H28 | 63.8° | 145.6° |
| C30 | C28 | C34 | H28 | 117.3° | 121.6° |
| C28 | C30 | C31 | H301 | 120.0° | 120.3° |
| C28 | C30 | C31 | H302 | 119.4° | 120.3° |
| C28 | C30 | H301 | H302 | 119.4° | 119.5° |
| C28 | C30 | C31 | C32 | 48.2° | 55.1° |
| C28 | C30 | C31 | C42 | 168.1° | 173.1° |
| C28 | C30 | C31 | C46 | 73.5° | 69.8° |
| C30 | C28 | C34 | C33 | 61.0° | 60.5° |
| C30 | C28 | C34 | H341 | 59.1° | 60.2° |
| C30 | C28 | C34 | H342 | 179.3° | 178.7° |
| C34 | C28 | C30 | C31 | 57.5° | 62.3° |
| C34 | C28 | C30 | H301 | 177.4° | 177.3° |
| C34 | C28 | C30 | H302 | 62.0° | 58.0° |
| C28 | C34 | C33 | C32 | 54.2° | 51.6° |
| C28 | C34 | C33 | H341 | 120.0° | 120.6° |
| C28 | C34 | C33 | H342 | 119.7° | 120.7° |
| C28 | C34 | C33 | C50 | 168.3° | 170.0° |
| C28 | C34 | C33 | C54 | 72.4° | 73.4° |
| C28 | C34 | H341 | H342 | 119.7° | 118.9° |
| H28 | C28 | C30 | C31 | 60.6° | 59.2° |
| H28 | C28 | C30 | H301 | 59.3° | 61.2° |
| H28 | C28 | C30 | H302 | 179.9° | 179.5° |
| H28 | C28 | C34 | C33 | 56.3° | 61.1° |
| H28 | C28 | C34 | H341 | 176.3° | 178.2° |
| H28 | C28 | C34 | H342 | 63.4° | 59.7° |
| C31 | C30 | H301 | H302 | 119.5° | 119.6° |
| C30 | C31 | C32 | C42 | 121.8° | 117.8° |
| C30 | C31 | C32 | C46 | 122.4° | 124.2° |
| C30 | C31 | C42 | C46 | 120.1° | 118.9° |
| C30 | C31 | C32 | C33 | 45.4° | 46.9° |
| C30 | C31 | C32 | H321 | 165.4° | 169.3° |
| C30 | C31 | C32 | H322 | 71.5° | 75.3° |
| C30 | C31 | C42 | H421 | 76.7° | 60.0° |
| C30 | C31 | C42 | H422 | 43.3° | 180.0° |
| C30 | C31 | C42 | H423 | 163.3° | 60.0° |
| C30 | C31 | C46 | H461 | 21.6° | 65.8° |
| C30 | C31 | C46 | H462 | 141.7° | 174.1° |
| C30 | C31 | C46 | H463 | 98.3° | 54.1° |
| H301 | C30 | C31 | C32 | 168.2° | 175.4° |
| H301 | C30 | C31 | C42 | 71.9° | 66.6° |
| H301 | C30 | C31 | C46 | 46.5° | 50.4° |
| H302 | C30 | C31 | C32 | 71.3° | 65.2° |
| H302 | C30 | C31 | C42 | 48.7° | 52.8° |
| H302 | C30 | C31 | C46 | 167.1° | 169.8° |
| C32 | C31 | C42 | C46 | 117.0° | 120.7° |
| C31 | C32 | C33 | H321 | 120.0° | 122.3° |
| C31 | C32 | C33 | H322 | 116.9° | 122.2° |
| C31 | C32 | H321 | H322 | 117.2° | 116.8° |
| C31 | C32 | C33 | C34 | 48.2° | 45.2° |
| C31 | C32 | C33 | C50 | 164.8° | 163.5° |
| C31 | C32 | C33 | C54 | 76.4° | 79.1° |
| C32 | C31 | C42 | H421 | 160.4° | 60.4° |
| C32 | C31 | C42 | H422 | 79.6° | 59.7° |
| C32 | C31 | C42 | H423 | 40.4° | 179.6° |
| C32 | C31 | C46 | H461 | 145.3° | 169.4° |
| C32 | C31 | C46 | H462 | 94.7° | 49.3° |
| C32 | C31 | C46 | H463 | 25.3° | 70.7° |
| C42 | C31 | C32 | C33 | 167.2° | 164.7° |
| C42 | C31 | C32 | H321 | 72.8° | 72.9° |
| C42 | C31 | C32 | H322 | 50.3° | 42.5° |
| C31 | C42 | H421 | H422 | 120.0° | 120.1° |
| C31 | C42 | H421 | H423 | 120.0° | 120.0° |
| C31 | C42 | H422 | H423 | 119.9° | 120.0° |
| C42 | C31 | C46 | H461 | 98.7° | 51.2° |
| C42 | C31 | C46 | H462 | 21.3° | 68.9° |
| C42 | C31 | C46 | H463 | 141.3° | 171.2° |
| C46 | C31 | C32 | C33 | 77.0° | 77.3° |
| C46 | C31 | C32 | H321 | 43.0° | 45.1° |
| C46 | C31 | C32 | H322 | 166.2° | 160.5° |
| C46 | C31 | C42 | H421 | 43.4° | 178.9° |
| C46 | C31 | C42 | H422 | 163.4° | 61.0° |
| C46 | C31 | C42 | H423 | 76.6° | 59.0° |
| C31 | C46 | H461 | H462 | 120.0° | 120.1° |
| C31 | C46 | H461 | H463 | 120.0° | 120.0° |
| C31 | C46 | H462 | H463 | 120.0° | 120.0° |
| C33 | C32 | H321 | H322 | 117.2° | 116.9° |
| C32 | C33 | C34 | C50 | 114.1° | 118.4° |
| C32 | C33 | C34 | C54 | 126.6° | 125.0° |
| C32 | C33 | C50 | C54 | 122.0° | 120.1° |
| C32 | C33 | C34 | H341 | 65.8° | 69.1° |
| C32 | C33 | C34 | H342 | 173.9° | 172.3° |
| C32 | C33 | C50 | H501 | 14.1° | 60.0° |
| C32 | C33 | C50 | H502 | 134.1° | 180.0° |
| C32 | C33 | C50 | H503 | 105.9° | 60.0° |
| C32 | C33 | C54 | H541 | 94.5° | 53.1° |
| C32 | C33 | C54 | H542 | 25.5° | 173.1° |
| C32 | C33 | C54 | H543 | 145.5° | 66.9° |
| H321 | C32 | C33 | C34 | 168.2° | 167.5° |
| H321 | C32 | C33 | C50 | 75.1° | 74.2° |
| H321 | C32 | C33 | C54 | 43.7° | 43.2° |
| H322 | C32 | C33 | C34 | 68.7° | 77.1° |
| H322 | C32 | C33 | C50 | 48.0° | 41.2° |
| H322 | C32 | C33 | C54 | 166.7° | 158.7° |
| C34 | C33 | C50 | C54 | 119.9° | 118.5° |
| C33 | C34 | H341 | H342 | 119.7° | 119.3° |
| C34 | C33 | C50 | H501 | 103.9° | 61.4° |
| C34 | C33 | C50 | H502 | 16.1° | 58.6° |
| C34 | C33 | C50 | H503 | 136.1° | 178.6° |
| C34 | C33 | C54 | H541 | 30.3° | 178.6° |
| C34 | C33 | C54 | H542 | 150.3° | 61.4° |
| C34 | C33 | C54 | H543 | 89.7° | 58.6° |
| C50 | C33 | C34 | H341 | 48.3° | 49.4° |
| C50 | C33 | C34 | H342 | 72.0° | 69.3° |
| C33 | C50 | H501 | H502 | 120.0° | 120.0° |
| C33 | C50 | H501 | H503 | 120.0° | 120.1° |
| C33 | C50 | H502 | H503 | 120.0° | 120.0° |
| C50 | C33 | C54 | H541 | 149.3° | 64.6° |
| C50 | C33 | C54 | H542 | 90.7° | 55.3° |
| C50 | C33 | C54 | H543 | 29.3° | 175.4° |
| C54 | C33 | C34 | H341 | 167.6° | 166.0° |
| C54 | C33 | C34 | H342 | 47.3° | 47.3° |
| C54 | C33 | C50 | H501 | 136.1° | 179.9° |
| C54 | C33 | C50 | H502 | 103.8° | 59.9° |
| C54 | C33 | C50 | H503 | 16.2° | 60.1° |
| C33 | C54 | H541 | H542 | 120.0° | 120.0° |
| C33 | C54 | H541 | H543 | 120.0° | 120.0° |
| C33 | C54 | H542 | H543 | 120.0° | 120.0° |
| H421 | C42 | H422 | H423 | 120.0° | 119.9° |
| H461 | C46 | H462 | H463 | 120.0° | 120.0° |
| H501 | C50 | H502 | H503 | 120.0° | 119.9° |
| H541 | C54 | H542 | H543 | 120.0° | 120.0° |
