FRJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O36 | S33 | doub | 1.42Å | 1.48Å | |
| S33 | O35 | doub | 1.42Å | 1.48Å | |
| S33 | N34 | sing | 1.66Å | 1.72Å | |
| S33 | C30 | sing | 1.76Å | 1.73Å | |
| N34 | C37 | sing | 1.39Å | 1.43Å | |
| N34 | H34 | sing | 0.97Å | 1.02Å | |
| C37 | N38 | doub | 1.32Å | 1.33Å | Aromatic |
| C37 | S41 | sing | 1.74Å | 1.66Å | Aromatic |
| N38 | C39 | sing | 1.32Å | 1.36Å | Aromatic |
| C39 | C40 | doub | 1.35Å | 1.39Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.10Å | |
| C40 | S41 | sing | 1.79Å | 1.70Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.10Å | |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C28 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C27 | N16 | sing | 1.40Å | 1.36Å | |
| N16 | S15 | sing | 1.66Å | 1.72Å | |
| N16 | H16 | sing | 0.97Å | 1.02Å | |
| S15 | O17 | doub | 1.42Å | 1.48Å | |
| S15 | O18 | doub | 1.42Å | 1.48Å | |
| S15 | C2 | sing | 1.76Å | 1.72Å | |
| C2 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C3 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C6 | O7 | sing | 1.35Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.46Å | Aromatic |
| O7 | C8 | sing | 1.34Å | 1.46Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C9 | sing | 1.48Å | 1.49Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C9 | C8 | doub | 1.36Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.47Å | 1.32Å | |
| C8 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C14 | H143 | sing | 1.09Å | 1.12Å | |
| C10 | O12 | doub | 1.22Å | 1.22Å | |
| C10 | C11 | sing | 1.48Å | 1.48Å | |
| C11 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | BR26 | sing | 1.89Å | 1.87Å | |
| C20 | C21 | doub | 1.39Å | 1.46Å | Aromatic |
| C21 | O25 | sing | 1.36Å | 1.25Å | |
| C21 | C22 | sing | 1.39Å | 1.47Å | Aromatic |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | BR24 | sing | 1.89Å | 1.86Å | |
| C23 | H23 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O36 | S33 | O35 | 108.8° | 125.4° |
| O36 | S33 | N34 | 110.0° | 105.8° |
| O36 | S33 | C30 | 107.4° | 105.7° |
| O35 | S33 | N34 | 109.4° | 105.8° |
| O35 | S33 | C30 | 111.4° | 105.7° |
| N34 | S33 | C30 | 109.9° | 107.4° |
| S33 | N34 | C37 | 118.5° | 120.0° |
| S33 | N34 | H34 | 108.9° | 120.0° |
| S33 | C30 | C31 | 120.0° | 120.0° |
| S33 | C30 | C29 | 120.1° | 119.9° |
| C37 | N34 | H34 | 109.0° | 120.0° |
| N34 | C37 | N38 | 123.0° | 128.9° |
| N34 | C37 | S41 | 119.8° | 128.9° |
| N38 | C37 | S41 | 117.2° | 102.1° |
| C37 | N38 | C39 | 109.3° | 121.2° |
| C37 | S41 | C40 | 88.8° | 97.5° |
| N38 | C39 | C40 | 113.3° | 118.4° |
| N38 | C39 | H39 | 122.5° | 120.8° |
| C40 | C39 | H39 | 124.2° | 120.8° |
| C39 | C40 | S41 | 111.4° | 100.8° |
| C39 | C40 | H40 | 115.9° | 129.6° |
| S41 | C40 | H40 | 132.7° | 129.6° |
| C31 | C30 | C29 | 119.9° | 120.1° |
| C30 | C31 | C32 | 120.1° | 120.1° |
| C30 | C31 | H31 | 120.2° | 120.0° |
| C30 | C29 | C28 | 119.9° | 120.1° |
| C30 | C29 | H29 | 120.1° | 120.0° |
| C32 | C31 | H31 | 119.7° | 120.0° |
| C31 | C32 | C27 | 119.9° | 119.9° |
| C31 | C32 | H32 | 119.9° | 120.0° |
| C27 | C32 | H32 | 120.2° | 120.0° |
| C32 | C27 | C28 | 120.0° | 119.9° |
| C32 | C27 | N16 | 121.6° | 120.1° |
| C28 | C29 | H29 | 119.9° | 119.8° |
| C29 | C28 | C27 | 120.2° | 119.9° |
| C29 | C28 | H28 | 119.8° | 120.1° |
| C27 | C28 | H28 | 120.0° | 120.0° |
| C28 | C27 | N16 | 118.4° | 120.1° |
| C27 | N16 | S15 | 123.6° | 120.0° |
| C27 | N16 | H16 | 107.2° | 120.0° |
| S15 | N16 | H16 | 107.2° | 120.0° |
| N16 | S15 | O17 | 106.6° | 105.8° |
| N16 | S15 | O18 | 111.6° | 105.8° |
| N16 | S15 | C2 | 108.9° | 107.4° |
| O17 | S15 | O18 | 109.8° | 125.4° |
| O17 | S15 | C2 | 109.4° | 105.8° |
| O18 | S15 | C2 | 110.5° | 105.7° |
| S15 | C2 | C1 | 122.4° | 119.7° |
| S15 | C2 | C3 | 115.8° | 119.7° |
| C1 | C2 | C3 | 121.8° | 120.7° |
| C2 | C1 | C4 | 122.6° | 120.2° |
| C2 | C1 | H1 | 119.0° | 119.9° |
| C2 | C3 | C6 | 116.6° | 119.9° |
| C2 | C3 | H3 | 122.2° | 120.0° |
| C4 | C1 | H1 | 118.4° | 119.9° |
| C1 | C4 | C5 | 116.2° | 119.6° |
| C1 | C4 | H4 | 122.6° | 120.2° |
| C6 | C3 | H3 | 121.2° | 120.0° |
| C3 | C6 | O7 | 127.8° | 133.0° |
| C3 | C6 | C5 | 122.0° | 119.3° |
| O7 | C6 | C5 | 110.1° | 107.7° |
| C6 | O7 | C8 | 106.0° | 111.3° |
| C6 | C5 | C4 | 120.7° | 120.3° |
| C6 | C5 | C9 | 105.8° | 105.5° |
| O7 | C8 | C9 | 112.9° | 109.8° |
| O7 | C8 | C13 | 120.2° | 125.1° |
| C4 | C5 | C9 | 133.3° | 134.2° |
| C5 | C4 | H4 | 121.2° | 120.2° |
| C5 | C9 | C8 | 104.7° | 105.7° |
| C5 | C9 | C10 | 129.0° | 127.2° |
| C8 | C9 | C10 | 121.7° | 127.1° |
| C9 | C8 | C13 | 126.7° | 125.1° |
| C9 | C10 | O12 | 113.0° | 120.0° |
| C9 | C10 | C11 | 134.2° | 120.0° |
| C8 | C13 | C14 | 111.3° | 109.5° |
| C8 | C13 | H131 | 111.6° | 109.5° |
| C8 | C13 | H132 | 111.5° | 109.5° |
| C14 | C13 | H131 | 111.5° | 109.5° |
| C14 | C13 | H132 | 111.5° | 109.5° |
| C13 | C14 | H141 | 111.5° | 109.6° |
| C13 | C14 | H142 | 111.3° | 109.5° |
| C13 | C14 | H143 | 111.6° | 109.5° |
| H131 | C13 | H132 | 98.9° | 109.4° |
| H141 | C14 | H142 | 111.5° | 109.5° |
| H141 | C14 | H143 | 98.8° | 109.5° |
| H142 | C14 | H143 | 111.5° | 109.4° |
| O12 | C10 | C11 | 111.0° | 120.0° |
| C10 | C11 | C19 | 112.4° | 120.1° |
| C10 | C11 | C23 | 126.3° | 120.0° |
| C19 | C11 | C23 | 120.9° | 119.8° |
| C11 | C19 | C20 | 123.2° | 119.9° |
| C11 | C19 | H19 | 119.0° | 120.0° |
| C11 | C23 | C22 | 118.7° | 119.9° |
| C11 | C23 | H23 | 120.7° | 120.1° |
| C20 | C19 | H19 | 117.9° | 120.0° |
| C19 | C20 | BR26 | 120.2° | 120.0° |
| C19 | C20 | C21 | 119.0° | 120.1° |
| BR26 | C20 | C21 | 120.8° | 120.0° |
| C20 | C21 | O25 | 121.5° | 119.9° |
| C20 | C21 | C22 | 116.3° | 120.1° |
| O25 | C21 | C22 | 122.1° | 120.0° |
| C21 | O25 | H25 | 121.5° | 106.8° |
| C21 | C22 | C23 | 121.8° | 120.1° |
| C21 | C22 | BR24 | 115.1° | 119.9° |
| C23 | C22 | BR24 | 123.1° | 119.9° |
| C22 | C23 | H23 | 120.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O36 | S33 | O35 | N34 | 120.2° | 123.2° |
| O36 | S33 | O35 | C30 | 118.1° | 123.1° |
| O36 | S33 | N34 | C30 | 118.0° | 112.6° |
| O36 | S33 | N34 | C37 | 147.0° | 52.6° |
| O36 | S33 | N34 | H34 | 87.7° | 127.5° |
| O36 | S33 | C30 | C31 | 87.9° | 157.4° |
| O36 | S33 | C30 | C29 | 91.2° | 22.6° |
| O35 | S33 | N34 | C30 | 122.6° | 112.6° |
| O35 | S33 | N34 | C37 | 27.6° | 172.5° |
| O35 | S33 | N34 | H34 | 152.8° | 7.4° |
| O35 | S33 | C30 | C31 | 153.1° | 22.6° |
| O35 | S33 | C30 | C29 | 27.8° | 157.4° |
| S33 | N34 | C37 | H34 | 125.3° | 179.9° |
| S33 | N34 | C37 | N38 | 0.2° | 0.2° |
| S33 | N34 | C37 | S41 | 179.7° | 180.0° |
| N34 | S33 | C30 | C31 | 31.8° | 90.0° |
| N34 | S33 | C30 | C29 | 149.2° | 90.0° |
| C30 | S33 | N34 | C37 | 95.0° | 59.9° |
| C30 | S33 | N34 | H34 | 30.3° | 119.9° |
| S33 | C30 | C31 | C29 | 179.1° | 180.0° |
| S33 | C30 | C31 | C32 | 179.4° | 180.0° |
| S33 | C30 | C31 | H31 | 0.5° | 0.0° |
| S33 | C30 | C29 | C28 | 179.5° | 179.8° |
| S33 | C30 | C29 | H29 | 0.5° | 0.0° |
| N34 | C37 | N38 | S41 | 179.5° | 179.9° |
| N34 | C37 | N38 | C39 | 179.8° | 179.7° |
| N34 | C37 | S41 | C40 | 179.7° | 179.9° |
| H34 | N34 | C37 | N38 | 125.1° | 179.7° |
| H34 | N34 | C37 | S41 | 54.4° | 0.2° |
| C37 | N38 | C39 | C40 | 0.2° | 0.5° |
| C37 | N38 | C39 | H39 | 179.8° | 179.8° |
| N38 | C37 | S41 | C40 | 0.2° | 0.2° |
| S41 | C37 | N38 | C39 | 0.3° | 0.4° |
| C37 | S41 | C40 | C39 | 0.1° | 0.0° |
| C37 | S41 | C40 | H40 | 179.9° | 180.0° |
| N38 | C39 | C40 | H39 | 180.0° | 179.8° |
| N38 | C39 | C40 | S41 | 0.0° | 0.2° |
| N38 | C39 | C40 | H40 | 179.9° | 179.8° |
| C39 | C40 | S41 | H40 | 180.0° | 180.0° |
| H39 | C39 | C40 | S41 | 179.9° | 180.0° |
| H39 | C39 | C40 | H40 | 0.1° | 0.0° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C27 | 0.1° | 0.0° |
| C30 | C31 | C32 | H32 | 179.8° | 180.0° |
| C31 | C30 | C29 | C28 | 0.5° | 0.3° |
| C31 | C30 | C29 | H29 | 179.6° | 180.0° |
| C29 | C30 | C31 | C32 | 0.4° | 0.0° |
| C29 | C30 | C31 | H31 | 179.6° | 180.0° |
| C30 | C29 | C28 | H29 | 180.0° | 179.7° |
| C30 | C29 | C28 | C27 | 0.0° | 0.5° |
| C30 | C29 | C28 | H28 | 180.0° | 180.0° |
| C31 | C32 | C27 | H32 | 180.0° | 180.0° |
| C31 | C32 | C27 | C28 | 0.6° | 0.2° |
| C31 | C32 | C27 | N16 | 179.8° | 179.9° |
| H31 | C31 | C32 | C27 | 179.9° | 180.0° |
| H31 | C31 | C32 | H32 | 0.1° | 0.0° |
| C32 | C27 | C28 | C29 | 0.6° | 0.5° |
| C32 | C27 | C28 | N16 | 179.2° | 179.7° |
| C32 | C27 | C28 | H28 | 179.4° | 180.0° |
| C32 | C27 | N16 | S15 | 25.1° | 153.2° |
| C32 | C27 | N16 | H16 | 150.4° | 26.8° |
| H32 | C32 | C27 | C28 | 179.4° | 179.7° |
| H32 | C32 | C27 | N16 | 0.2° | 0.0° |
| C29 | C28 | C27 | H28 | 180.0° | 179.5° |
| C29 | C28 | C27 | N16 | 179.8° | 179.8° |
| H29 | C29 | C28 | C27 | 180.0° | 179.8° |
| H29 | C29 | C28 | H28 | 0.1° | 0.3° |
| C28 | C27 | N16 | S15 | 155.7° | 27.1° |
| C28 | C27 | N16 | H16 | 30.4° | 152.9° |
| H28 | C28 | C27 | N16 | 0.2° | 0.3° |
| C27 | N16 | S15 | H16 | 125.3° | 180.0° |
| C27 | N16 | S15 | O17 | 175.3° | 171.8° |
| C27 | N16 | S15 | O18 | 64.8° | 53.4° |
| C27 | N16 | S15 | C2 | 57.4° | 59.2° |
| N16 | S15 | O17 | O18 | 121.0° | 123.1° |
| N16 | S15 | O17 | C2 | 117.6° | 113.8° |
| N16 | S15 | O18 | C2 | 121.3° | 113.7° |
| N16 | S15 | C2 | C1 | 135.1° | 85.0° |
| N16 | S15 | C2 | C3 | 45.2° | 94.9° |
| H16 | N16 | S15 | O17 | 50.1° | 8.1° |
| H16 | N16 | S15 | O18 | 169.9° | 126.7° |
| H16 | N16 | S15 | C2 | 67.9° | 120.8° |
| O17 | S15 | O18 | C2 | 120.8° | 123.1° |
| O17 | S15 | C2 | C1 | 108.8° | 27.6° |
| O17 | S15 | C2 | C3 | 71.0° | 152.4° |
| O18 | S15 | C2 | C1 | 12.2° | 162.4° |
| O18 | S15 | C2 | C3 | 168.0° | 17.7° |
| S15 | C2 | C1 | C3 | 179.7° | 179.9° |
| S15 | C2 | C1 | C4 | 179.9° | 180.0° |
| S15 | C2 | C1 | H1 | 0.1° | 0.0° |
| S15 | C2 | C3 | C6 | 179.6° | 180.0° |
| S15 | C2 | C3 | H3 | 0.3° | 0.1° |
| C2 | C1 | C4 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C6 | 0.1° | 0.1° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C1 | C4 | C5 | 0.5° | 0.0° |
| C2 | C1 | C4 | H4 | 179.5° | 180.0° |
| C3 | C2 | C1 | C4 | 0.2° | 0.1° |
| C3 | C2 | C1 | H1 | 179.8° | 180.0° |
| C2 | C3 | C6 | H3 | 180.0° | 179.9° |
| C2 | C3 | C6 | O7 | 179.7° | 179.9° |
| C2 | C3 | C6 | C5 | 0.1° | 0.0° |
| C1 | C4 | C5 | C6 | 0.4° | 0.0° |
| C1 | C4 | C5 | H4 | 180.0° | 180.0° |
| C1 | C4 | C5 | C9 | 174.5° | 179.6° |
| H1 | C1 | C4 | C5 | 179.6° | 180.0° |
| H1 | C1 | C4 | H4 | 0.5° | 0.0° |
| C3 | C6 | O7 | C5 | 179.8° | 180.0° |
| C3 | C6 | O7 | C8 | 179.3° | 180.0° |
| C3 | C6 | C5 | C4 | 0.2° | 0.0° |
| C3 | C6 | C5 | C9 | 175.6° | 179.7° |
| H3 | C3 | C6 | O7 | 0.3° | 0.1° |
| H3 | C3 | C6 | C5 | 179.9° | 179.9° |
| O7 | C6 | C5 | C4 | 180.0° | 180.0° |
| O7 | C6 | C5 | C9 | 4.5° | 0.3° |
| C6 | O7 | C8 | C9 | 3.6° | 0.2° |
| C6 | O7 | C8 | C13 | 179.8° | 180.0° |
| C5 | C6 | O7 | C8 | 0.9° | 0.1° |
| C6 | C5 | C4 | C9 | 174.0° | 179.6° |
| C6 | C5 | C4 | H4 | 179.6° | 180.0° |
| C6 | C5 | C9 | C8 | 6.4° | 0.4° |
| C6 | C5 | C9 | C10 | 161.9° | 179.7° |
| O7 | C8 | C9 | C5 | 6.2° | 0.4° |
| O7 | C8 | C9 | C13 | 176.4° | 179.8° |
| O7 | C8 | C9 | C10 | 164.0° | 179.7° |
| O7 | C8 | C13 | C14 | 9.0° | 91.7° |
| O7 | C8 | C13 | H131 | 116.3° | 148.3° |
| O7 | C8 | C13 | H132 | 134.3° | 28.3° |
| C4 | C5 | C9 | C8 | 178.9° | 179.9° |
| C4 | C5 | C9 | C10 | 23.4° | 0.0° |
| C9 | C5 | C4 | H4 | 5.5° | 0.3° |
| C5 | C9 | C8 | C10 | 157.8° | 179.9° |
| C5 | C9 | C8 | C13 | 177.4° | 179.8° |
| C5 | C9 | C10 | O12 | 29.4° | 94.0° |
| C5 | C9 | C10 | C11 | 167.3° | 85.9° |
| C9 | C8 | C13 | C14 | 167.2° | 88.0° |
| C9 | C8 | C13 | H131 | 67.6° | 32.0° |
| C9 | C8 | C13 | H132 | 41.9° | 151.9° |
| C8 | C9 | C10 | O12 | 122.6° | 86.1° |
| C8 | C9 | C10 | C11 | 40.8° | 93.9° |
| C10 | C9 | C8 | C13 | 19.6° | 0.1° |
| C9 | C10 | O12 | C11 | 167.3° | 180.0° |
| C9 | C10 | C11 | C19 | 14.9° | 6.2° |
| C9 | C10 | C11 | C23 | 173.2° | 174.1° |
| C8 | C13 | C14 | H131 | 125.3° | 120.0° |
| C8 | C13 | C14 | H132 | 125.2° | 120.0° |
| C8 | C13 | H131 | H132 | 117.4° | 120.0° |
| C8 | C13 | C14 | H141 | 54.8° | 180.0° |
| C8 | C13 | C14 | H142 | 180.0° | 60.0° |
| C8 | C13 | C14 | H143 | 54.7° | 60.0° |
| C14 | C13 | H131 | H132 | 117.4° | 120.0° |
| C13 | C14 | H141 | H142 | 125.1° | 120.1° |
| C13 | C14 | H141 | H143 | 117.5° | 120.0° |
| C13 | C14 | H142 | H143 | 125.3° | 120.0° |
| H131 | C13 | C14 | H141 | 179.9° | 60.0° |
| H131 | C13 | C14 | H142 | 54.7° | 60.1° |
| H131 | C13 | C14 | H143 | 70.6° | 180.0° |
| H132 | C13 | C14 | H141 | 70.5° | 60.0° |
| H132 | C13 | C14 | H142 | 54.7° | 180.0° |
| H132 | C13 | C14 | H143 | 180.0° | 60.1° |
| H141 | C14 | H142 | H143 | 109.4° | 119.9° |
| O12 | C10 | C11 | C19 | 178.5° | 173.8° |
| O12 | C10 | C11 | C23 | 9.6° | 5.9° |
| C10 | C11 | C19 | C23 | 172.4° | 179.7° |
| C10 | C11 | C19 | C20 | 176.3° | 179.7° |
| C10 | C11 | C19 | H19 | 3.7° | 0.3° |
| C10 | C11 | C23 | C22 | 174.9° | 180.0° |
| C10 | C11 | C23 | H23 | 5.1° | 0.0° |
| C11 | C19 | C20 | H19 | 180.0° | 179.5° |
| C11 | C19 | C20 | BR26 | 178.5° | 179.7° |
| C11 | C19 | C20 | C21 | 2.2° | 0.5° |
| C19 | C11 | C23 | C22 | 3.6° | 0.3° |
| C19 | C11 | C23 | H23 | 176.4° | 179.7° |
| C23 | C11 | C19 | C20 | 3.9° | 0.5° |
| C23 | C11 | C19 | H19 | 176.1° | 180.0° |
| C11 | C23 | C22 | C21 | 1.8° | 0.0° |
| C11 | C23 | C22 | H23 | 180.0° | 180.0° |
| C11 | C23 | C22 | BR24 | 177.9° | 180.0° |
| C19 | C20 | BR26 | C21 | 179.3° | 179.7° |
| C19 | C20 | C21 | O25 | 179.4° | 179.7° |
| C19 | C20 | C21 | C22 | 0.3° | 0.2° |
| H19 | C19 | C20 | BR26 | 1.5° | 0.3° |
| H19 | C19 | C20 | C21 | 177.8° | 180.0° |
| BR26 | C20 | C21 | O25 | 0.1° | 0.0° |
| BR26 | C20 | C21 | C22 | 179.6° | 180.0° |
| C20 | C21 | O25 | C22 | 179.8° | 179.9° |
| C20 | C21 | O25 | H25 | 180.0° | 89.9° |
| C20 | C21 | C22 | C23 | 0.2° | 0.0° |
| C20 | C21 | C22 | BR24 | 179.5° | 180.0° |
| O25 | C21 | C22 | C23 | 179.6° | 180.0° |
| O25 | C21 | C22 | BR24 | 0.7° | 0.0° |
| C22 | C21 | O25 | H25 | 0.2° | 90.0° |
| C21 | C22 | C23 | BR24 | 179.7° | 180.0° |
| C21 | C22 | C23 | H23 | 178.2° | 180.0° |
| BR24 | C22 | C23 | H23 | 2.1° | 0.0° |
