SXR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P24 | O26 | sing | 1.61Å | 1.56Å | |
| P24 | O23 | sing | 1.61Å | 1.54Å | |
| P24 | O27 | sing | 1.61Å | 1.57Å | |
| O27 | C28 | sing | 1.43Å | 1.50Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | C31 | sing | 1.53Å | 1.52Å | |
| C29 | C32 | sing | 1.53Å | 1.60Å | |
| C32 | O33 | sing | 1.43Å | 1.43Å | |
| C32 | C34 | sing | 1.51Å | 1.53Å | |
| C34 | O35 | doub | 1.21Å | 1.24Å | |
| C34 | N36 | sing | 1.35Å | 1.32Å | |
| N36 | C37 | sing | 1.46Å | 1.47Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C38 | C39 | sing | 1.51Å | 1.54Å | |
| C39 | O40 | doub | 1.21Å | 1.24Å | |
| C39 | N41 | sing | 1.35Å | 1.33Å | |
| N41 | C42 | sing | 1.47Å | 1.46Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C43 | S1 | sing | 1.81Å | 1.73Å | |
| S1 | C1 | sing | 1.81Å | 1.73Å | |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | O3 | doub | 1.21Å | 1.24Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| O26 | H1 | sing | 0.97Å | 0.95Å | |
| O23 | H2 | sing | 0.97Å | 0.95Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C30 | H30C | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C31 | H31C | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| O33 | H33A | sing | 0.97Å | 0.95Å | |
| N36 | H36A | sing | 0.97Å | 1.00Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å | |
| N41 | H41A | sing | 0.97Å | 1.00Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C42 | H42B | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C43 | H43B | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.08Å | 1.08Å | |
| C10 | H10A | sing | 1.08Å | 1.08Å | |
| C9 | H9A | sing | 1.08Å | 1.08Å | |
| C8 | H8A | sing | 1.08Å | 1.08Å | |
| C7 | H7A | sing | 1.08Å | 1.08Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | P24 | O23 | 115.3° | 102.0° |
| O26 | P24 | O27 | 110.6° | 102.0° |
| P24 | O26 | H1 | 109.5° | 114.0° |
| O23 | P24 | O27 | 106.5° | 102.0° |
| P24 | O23 | H2 | 109.5° | 114.0° |
| P24 | O27 | C28 | 124.0° | 123.0° |
| O27 | C28 | C29 | 108.8° | 109.5° |
| O27 | C28 | H28A | 109.6° | 109.4° |
| O27 | C28 | H28B | 109.6° | 109.5° |
| C28 | C29 | C30 | 106.6° | 109.4° |
| C28 | C29 | C31 | 109.1° | 109.5° |
| C28 | C29 | C32 | 111.3° | 109.5° |
| C29 | C28 | H28A | 109.6° | 109.5° |
| C29 | C28 | H28B | 109.6° | 109.5° |
| C30 | C29 | C31 | 109.6° | 109.5° |
| C30 | C29 | C32 | 110.6° | 109.5° |
| C29 | C30 | H30A | 109.5° | 109.5° |
| C29 | C30 | H30B | 109.5° | 109.5° |
| C29 | C30 | H30C | 109.5° | 109.5° |
| C31 | C29 | C32 | 109.7° | 109.5° |
| C29 | C31 | H31A | 109.5° | 109.5° |
| C29 | C31 | H31B | 109.5° | 109.5° |
| C29 | C31 | H31C | 109.5° | 109.5° |
| C29 | C32 | O33 | 110.3° | 109.5° |
| C29 | C32 | C34 | 110.4° | 109.5° |
| C29 | C32 | H32A | 108.9° | 109.5° |
| O33 | C32 | C34 | 106.3° | 109.4° |
| O33 | C32 | H32A | 111.2° | 109.5° |
| C32 | O33 | H33A | 109.5° | 114.0° |
| C32 | C34 | O35 | 122.2° | 120.0° |
| C32 | C34 | N36 | 115.2° | 120.0° |
| C34 | C32 | H32A | 109.7° | 109.5° |
| O35 | C34 | N36 | 122.7° | 120.0° |
| C34 | N36 | C37 | 124.4° | 120.0° |
| C34 | N36 | H36A | 117.8° | 120.0° |
| N36 | C37 | C38 | 111.2° | 109.5° |
| C37 | N36 | H36A | 117.8° | 120.0° |
| N36 | C37 | H37A | 109.1° | 109.5° |
| N36 | C37 | H37B | 109.0° | 109.5° |
| C37 | C38 | C39 | 113.8° | 109.5° |
| C38 | C37 | H37A | 109.0° | 109.4° |
| C38 | C37 | H37B | 109.1° | 109.5° |
| C37 | C38 | H38A | 108.4° | 109.4° |
| C37 | C38 | H38B | 108.4° | 109.5° |
| C38 | C39 | O40 | 121.3° | 120.0° |
| C38 | C39 | N41 | 115.3° | 120.0° |
| C39 | C38 | H38A | 108.4° | 109.4° |
| C39 | C38 | H38B | 108.4° | 109.5° |
| O40 | C39 | N41 | 123.3° | 120.0° |
| C39 | N41 | C42 | 125.3° | 120.0° |
| C39 | N41 | H41A | 117.4° | 120.0° |
| N41 | C42 | C43 | 111.7° | 109.4° |
| C42 | N41 | H41A | 117.3° | 120.1° |
| N41 | C42 | H42A | 108.9° | 109.5° |
| N41 | C42 | H42B | 108.9° | 109.5° |
| C42 | C43 | S1 | 110.9° | 109.4° |
| C43 | C42 | H42A | 108.9° | 109.4° |
| C43 | C42 | H42B | 108.9° | 109.5° |
| C42 | C43 | H43A | 109.1° | 109.4° |
| C42 | C43 | H43B | 109.1° | 109.5° |
| C43 | S1 | C1 | 101.2° | 103.0° |
| S1 | C43 | H43A | 109.1° | 109.5° |
| S1 | C43 | H43B | 109.1° | 109.5° |
| S1 | C1 | C2 | 111.9° | 109.4° |
| S1 | C1 | H1A | 108.9° | 109.5° |
| S1 | C1 | H1B | 108.9° | 109.5° |
| C10 | C11 | C6 | 120.7° | 120.0° |
| C11 | C10 | C9 | 119.9° | 120.0° |
| C10 | C11 | H11A | 119.6° | 120.0° |
| C11 | C10 | H10A | 120.0° | 120.0° |
| C11 | C6 | C7 | 118.5° | 120.0° |
| C11 | C6 | C5 | 120.4° | 120.0° |
| C6 | C11 | H11A | 119.7° | 120.0° |
| C10 | C9 | C8 | 120.2° | 120.0° |
| C9 | C10 | H10A | 120.0° | 120.0° |
| C10 | C9 | H9A | 119.9° | 120.0° |
| C9 | C8 | C7 | 119.8° | 120.0° |
| C8 | C9 | H9A | 119.9° | 120.0° |
| C9 | C8 | H8A | 120.1° | 120.0° |
| C8 | C7 | C6 | 120.8° | 120.0° |
| C7 | C8 | H8A | 120.1° | 120.0° |
| C8 | C7 | H7A | 119.7° | 120.0° |
| C7 | C6 | C5 | 121.1° | 120.0° |
| C6 | C7 | H7A | 119.6° | 120.0° |
| C6 | C5 | C4 | 114.0° | 109.5° |
| C6 | C5 | H5A | 108.3° | 109.5° |
| C6 | C5 | H5B | 108.3° | 109.5° |
| C5 | C4 | C3 | 114.3° | 109.4° |
| C4 | C5 | H5A | 108.3° | 109.5° |
| C4 | C5 | H5B | 108.3° | 109.5° |
| C5 | C4 | H4A | 108.2° | 109.5° |
| C5 | C4 | H4B | 108.2° | 109.4° |
| C4 | C3 | O3 | 120.5° | 120.0° |
| C4 | C3 | C2 | 119.6° | 120.0° |
| C3 | C4 | H4A | 108.3° | 109.5° |
| C3 | C4 | H4B | 108.3° | 109.5° |
| O3 | C3 | C2 | 119.9° | 120.0° |
| C3 | C2 | C1 | 114.6° | 109.5° |
| C3 | C2 | H2A | 108.2° | 109.5° |
| C3 | C2 | H2B | 108.2° | 109.5° |
| C1 | C2 | H2A | 108.2° | 109.5° |
| C1 | C2 | H2B | 108.2° | 109.5° |
| C2 | C1 | H1A | 108.9° | 109.5° |
| C2 | C1 | H1B | 108.9° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.4° |
| H30A | C30 | H30B | 109.5° | 109.4° |
| H30A | C30 | H30C | 109.5° | 109.5° |
| H30B | C30 | H30C | 109.5° | 109.4° |
| H31A | C31 | H31B | 109.5° | 109.5° |
| H31A | C31 | H31C | 109.5° | 109.5° |
| H31B | C31 | H31C | 109.4° | 109.5° |
| H37A | C37 | H37B | 109.5° | 109.5° |
| H38A | C38 | H38B | 109.5° | 109.5° |
| H42A | C42 | H42B | 109.5° | 109.5° |
| H43A | C43 | H43B | 109.4° | 109.5° |
| H5A | C5 | H5B | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.4° | 109.5° |
| H2A | C2 | H2B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | P24 | O23 | O27 | 123.0° | 105.2° |
| O26 | P24 | O27 | C28 | 46.0° | 89.8° |
| O26 | P24 | O23 | H2 | 180.0° | 74.8° |
| O23 | P24 | O27 | C28 | 171.9° | 165.0° |
| O23 | P24 | O26 | H1 | 180.0° | 180.0° |
| P24 | O27 | C28 | C29 | 173.8° | 180.0° |
| O27 | P24 | O26 | H1 | 59.2° | 74.8° |
| O27 | P24 | O23 | H2 | 57.0° | 180.0° |
| P24 | O27 | C28 | H28A | 66.3° | 60.0° |
| P24 | O27 | C28 | H28B | 53.9° | 59.9° |
| O27 | C28 | C29 | H28A | 119.9° | 120.0° |
| O27 | C28 | C29 | H28B | 119.9° | 120.0° |
| O27 | C28 | C29 | C30 | 73.1° | 60.0° |
| O27 | C28 | C29 | C31 | 45.1° | 60.0° |
| O27 | C28 | C29 | C32 | 166.2° | 180.0° |
| O27 | C28 | H28A | H28B | 120.3° | 119.9° |
| C28 | C29 | C30 | C31 | 117.9° | 120.0° |
| C28 | C29 | C30 | C32 | 121.1° | 120.0° |
| C28 | C29 | C31 | C32 | 122.1° | 120.0° |
| C28 | C29 | C32 | O33 | 66.5° | 65.5° |
| C28 | C29 | C32 | C34 | 176.3° | 54.5° |
| C29 | C28 | H28A | H28B | 120.3° | 120.0° |
| C28 | C29 | C30 | H30A | 180.0° | 57.1° |
| C28 | C29 | C30 | H30B | 60.0° | 177.1° |
| C28 | C29 | C30 | H30C | 60.0° | 63.0° |
| C28 | C29 | C31 | H31A | 180.0° | 52.8° |
| C28 | C29 | C31 | H31B | 60.0° | 172.8° |
| C28 | C29 | C31 | H31C | 60.0° | 67.2° |
| C28 | C29 | C32 | H32A | 55.8° | 174.5° |
| C30 | C29 | C31 | C32 | 121.6° | 120.0° |
| C30 | C29 | C32 | O33 | 175.3° | 54.5° |
| C30 | C29 | C32 | C34 | 58.0° | 174.4° |
| C30 | C29 | C28 | H28A | 167.0° | 180.0° |
| C30 | C29 | C28 | H28B | 46.8° | 60.0° |
| C29 | C30 | H30A | H30B | 120.0° | 120.0° |
| C29 | C30 | H30A | H30C | 120.0° | 120.1° |
| C29 | C30 | H30B | H30C | 120.0° | 120.0° |
| C30 | C29 | C31 | H31A | 63.7° | 172.8° |
| C30 | C29 | C31 | H31B | 56.4° | 67.2° |
| C30 | C29 | C31 | H31C | 176.3° | 52.8° |
| C30 | C29 | C32 | H32A | 62.5° | 65.5° |
| C31 | C29 | C32 | O33 | 54.3° | 174.5° |
| C31 | C29 | C32 | C34 | 62.9° | 65.5° |
| C31 | C29 | C28 | H28A | 74.8° | 60.0° |
| C31 | C29 | C28 | H28B | 165.0° | 180.0° |
| C31 | C29 | C30 | H30A | 62.1° | 62.9° |
| C31 | C29 | C30 | H30B | 177.9° | 57.1° |
| C31 | C29 | C30 | H30C | 57.9° | 177.1° |
| C29 | C31 | H31A | H31B | 120.0° | 120.0° |
| C29 | C31 | H31A | H31C | 120.0° | 120.0° |
| C29 | C31 | H31B | H31C | 120.0° | 120.0° |
| C31 | C29 | C32 | H32A | 176.6° | 54.5° |
| C29 | C32 | O33 | C34 | 119.7° | 120.0° |
| C29 | C32 | O33 | H32A | 120.9° | 120.0° |
| C29 | C32 | C34 | H32A | 120.0° | 120.0° |
| C29 | C32 | C34 | O35 | 89.3° | 107.8° |
| C29 | C32 | C34 | N36 | 89.5° | 72.2° |
| C32 | C29 | C28 | H28A | 46.4° | 60.0° |
| C32 | C29 | C28 | H28B | 73.9° | 60.0° |
| C32 | C29 | C30 | H30A | 58.9° | 177.1° |
| C32 | C29 | C30 | H30B | 61.1° | 62.9° |
| C32 | C29 | C30 | H30C | 178.9° | 57.0° |
| C32 | C29 | C31 | H31A | 57.9° | 67.2° |
| C32 | C29 | C31 | H31B | 177.9° | 52.8° |
| C32 | C29 | C31 | H31C | 62.1° | 172.8° |
| C29 | C32 | O33 | H33A | 180.0° | 60.0° |
| O33 | C32 | C34 | H32A | 120.4° | 120.0° |
| O33 | C32 | C34 | O35 | 151.1° | 12.2° |
| O33 | C32 | C34 | N36 | 30.2° | 167.8° |
| C32 | C34 | O35 | N36 | 178.7° | 180.0° |
| C32 | C34 | N36 | C37 | 178.4° | 174.8° |
| C34 | C32 | O33 | H33A | 60.2° | 60.0° |
| C32 | C34 | N36 | H36A | 1.6° | 5.1° |
| O35 | C34 | N36 | C37 | 0.3° | 5.2° |
| O35 | C34 | C32 | H32A | 30.7° | 132.1° |
| O35 | C34 | N36 | H36A | 179.6° | 174.9° |
| C34 | N36 | C37 | H36A | 180.0° | 180.0° |
| C34 | N36 | C37 | C38 | 112.8° | 180.0° |
| N36 | C34 | C32 | H32A | 150.5° | 47.9° |
| C34 | N36 | C37 | H37A | 126.9° | 60.1° |
| C34 | N36 | C37 | H37B | 7.5° | 59.9° |
| N36 | C37 | C38 | H37A | 120.3° | 120.0° |
| N36 | C37 | C38 | H37B | 120.2° | 120.1° |
| N36 | C37 | C38 | C39 | 58.7° | 180.0° |
| N36 | C37 | H37A | H37B | 119.2° | 120.0° |
| N36 | C37 | C38 | H38A | 61.9° | 60.0° |
| N36 | C37 | C38 | H38B | 179.3° | 59.9° |
| C37 | C38 | C39 | H38A | 120.6° | 119.9° |
| C37 | C38 | C39 | H38B | 120.6° | 120.0° |
| C37 | C38 | C39 | O40 | 151.1° | 0.1° |
| C37 | C38 | C39 | N41 | 26.2° | 180.0° |
| C38 | C37 | N36 | H36A | 67.2° | 0.1° |
| C38 | C37 | H37A | H37B | 119.2° | 120.0° |
| C37 | C38 | H38A | H38B | 118.1° | 120.0° |
| C38 | C39 | O40 | N41 | 177.1° | 179.9° |
| C38 | C39 | N41 | C42 | 177.8° | 180.0° |
| C39 | C38 | C37 | H37A | 179.0° | 60.0° |
| C39 | C38 | C37 | H37B | 61.5° | 59.9° |
| C39 | C38 | H38A | H38B | 118.0° | 120.0° |
| C38 | C39 | N41 | H41A | 2.2° | 0.0° |
| O40 | C39 | N41 | C42 | 0.5° | 0.0° |
| O40 | C39 | C38 | H38A | 30.5° | 120.0° |
| O40 | C39 | C38 | H38B | 88.3° | 120.0° |
| O40 | C39 | N41 | H41A | 179.5° | 180.0° |
| C39 | N41 | C42 | H41A | 180.0° | 180.0° |
| C39 | N41 | C42 | C43 | 143.4° | 180.0° |
| N41 | C39 | C38 | H38A | 146.9° | 60.0° |
| N41 | C39 | C38 | H38B | 94.4° | 60.0° |
| C39 | N41 | C42 | H42A | 96.3° | 60.1° |
| C39 | N41 | C42 | H42B | 23.1° | 60.0° |
| N41 | C42 | C43 | H42A | 120.3° | 119.9° |
| N41 | C42 | C43 | H42B | 120.4° | 120.0° |
| N41 | C42 | C43 | S1 | 176.6° | 180.0° |
| N41 | C42 | H42A | H42B | 119.0° | 120.1° |
| N41 | C42 | C43 | H43A | 56.4° | 60.0° |
| N41 | C42 | C43 | H43B | 63.2° | 60.0° |
| C42 | C43 | S1 | H43A | 120.2° | 119.9° |
| C42 | C43 | S1 | H43B | 120.2° | 120.0° |
| C42 | C43 | S1 | C1 | 70.9° | 180.0° |
| C43 | C42 | N41 | H41A | 36.6° | 0.0° |
| C43 | C42 | H42A | H42B | 119.0° | 120.0° |
| C42 | C43 | H43A | H43B | 119.3° | 120.0° |
| C43 | S1 | C1 | C2 | 103.3° | 180.0° |
| S1 | C43 | C42 | H42A | 63.1° | 60.1° |
| S1 | C43 | C42 | H42B | 56.2° | 60.0° |
| S1 | C43 | H43A | H43B | 119.4° | 120.0° |
| C43 | S1 | C1 | H1A | 17.1° | 60.0° |
| C43 | S1 | C1 | H1B | 136.3° | 60.0° |
| S1 | C1 | C2 | C3 | 179.9° | 180.0° |
| S1 | C1 | C2 | H1A | 120.4° | 120.0° |
| S1 | C1 | C2 | H1B | 120.4° | 120.0° |
| C1 | S1 | C43 | H43A | 168.9° | 60.0° |
| C1 | S1 | C43 | H43B | 49.3° | 60.0° |
| S1 | C1 | C2 | H2A | 59.2° | 60.0° |
| S1 | C1 | C2 | H2B | 59.3° | 60.0° |
| S1 | C1 | H1A | H1B | 118.9° | 120.0° |
| C10 | C11 | C6 | H11A | 180.0° | 179.6° |
| C11 | C10 | C9 | H10A | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.1° | 0.0° |
| C10 | C11 | C6 | C7 | 0.1° | 0.1° |
| C10 | C11 | C6 | C5 | 179.9° | 180.0° |
| C11 | C10 | C9 | H9A | 179.9° | 179.9° |
| C6 | C11 | C10 | C9 | 0.2° | 0.1° |
| C11 | C6 | C7 | C8 | 0.1° | 0.1° |
| C11 | C6 | C7 | C5 | 180.0° | 179.9° |
| C11 | C6 | C5 | C4 | 138.6° | 89.9° |
| C6 | C11 | C10 | H10A | 179.9° | 180.0° |
| C11 | C6 | C7 | H7A | 179.9° | 180.0° |
| C11 | C6 | C5 | H5A | 18.0° | 150.0° |
| C11 | C6 | C5 | H5B | 100.7° | 30.1° |
| C10 | C9 | C8 | H9A | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.1° | 0.0° |
| C9 | C10 | C11 | H11A | 179.8° | 179.7° |
| C10 | C9 | C8 | H8A | 179.9° | 180.0° |
| C9 | C8 | C7 | H8A | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.2° | 0.1° |
| C8 | C9 | C10 | H10A | 179.9° | 180.0° |
| C9 | C8 | C7 | H7A | 179.8° | 180.0° |
| C8 | C7 | C6 | H7A | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 179.9° | 180.0° |
| C7 | C8 | C9 | H9A | 179.9° | 179.9° |
| C7 | C6 | C5 | C4 | 41.4° | 90.0° |
| C7 | C6 | C11 | H11A | 179.9° | 179.7° |
| C6 | C7 | C8 | H8A | 179.8° | 180.0° |
| C7 | C6 | C5 | H5A | 162.1° | 30.0° |
| C7 | C6 | C5 | H5B | 79.2° | 150.0° |
| C6 | C5 | C4 | H5A | 120.7° | 120.0° |
| C6 | C5 | C4 | H5B | 120.6° | 120.0° |
| C6 | C5 | C4 | C3 | 149.6° | 180.0° |
| C5 | C6 | C11 | H11A | 0.1° | 0.4° |
| C5 | C6 | C7 | H7A | 0.1° | 0.0° |
| C6 | C5 | H5A | H5B | 118.0° | 120.0° |
| C6 | C5 | C4 | H4A | 89.7° | 60.0° |
| C6 | C5 | C4 | H4B | 28.8° | 60.0° |
| C5 | C4 | C3 | H4A | 120.7° | 120.0° |
| C5 | C4 | C3 | H4B | 120.7° | 120.0° |
| C5 | C4 | C3 | O3 | 19.1° | 0.0° |
| C5 | C4 | C3 | C2 | 161.1° | 180.0° |
| C4 | C5 | H5A | H5B | 118.0° | 120.0° |
| C5 | C4 | H4A | H4B | 117.8° | 120.0° |
| C4 | C3 | O3 | C2 | 179.9° | 180.0° |
| C4 | C3 | C2 | C1 | 112.9° | 180.0° |
| C3 | C4 | C5 | H5A | 28.9° | 60.0° |
| C3 | C4 | C5 | H5B | 89.8° | 60.0° |
| C3 | C4 | H4A | H4B | 117.8° | 120.0° |
| C4 | C3 | C2 | H2A | 7.9° | 60.0° |
| C4 | C3 | C2 | H2B | 126.4° | 60.0° |
| O3 | C3 | C2 | C1 | 67.3° | 0.0° |
| O3 | C3 | C4 | H4A | 139.8° | 120.0° |
| O3 | C3 | C4 | H4B | 101.7° | 120.0° |
| O3 | C3 | C2 | H2A | 172.0° | 120.0° |
| O3 | C3 | C2 | H2B | 53.5° | 120.0° |
| C3 | C2 | C1 | H2A | 120.8° | 120.0° |
| C3 | C2 | C1 | H2B | 120.8° | 120.0° |
| C2 | C3 | C4 | H4A | 40.3° | 60.0° |
| C2 | C3 | C4 | H4B | 78.2° | 60.1° |
| C3 | C2 | H2A | H2B | 117.7° | 120.0° |
| C3 | C2 | C1 | H1A | 59.6° | 60.0° |
| C3 | C2 | C1 | H1B | 59.7° | 60.0° |
| C1 | C2 | H2A | H2B | 117.7° | 120.0° |
| C2 | C1 | H1A | H1B | 118.9° | 120.0° |
| H30A | C30 | H30B | H30C | 120.0° | 119.9° |
| H31A | C31 | H31B | H31C | 120.0° | 120.0° |
| H32A | C32 | O33 | H33A | 59.1° | 180.0° |
| H36A | N36 | C37 | H37A | 53.1° | 120.0° |
| H36A | N36 | C37 | H37B | 172.5° | 120.0° |
| H37A | C37 | C38 | H38A | 58.4° | 180.0° |
| H37A | C37 | C38 | H38B | 60.4° | 60.0° |
| H37B | C37 | C38 | H38A | 177.9° | 60.0° |
| H37B | C37 | C38 | H38B | 59.1° | 180.0° |
| H41A | N41 | C42 | H42A | 83.7° | 119.9° |
| H41A | N41 | C42 | H42B | 156.9° | 120.0° |
| H42A | C42 | C43 | H43A | 176.7° | 180.0° |
| H42A | C42 | C43 | H43B | 57.2° | 59.9° |
| H42B | C42 | C43 | H43A | 64.0° | 60.0° |
| H42B | C42 | C43 | H43B | 176.5° | 180.0° |
| H11A | C11 | C10 | H10A | 0.1° | 0.4° |
| H10A | C10 | C9 | H9A | 0.0° | 0.0° |
| H9A | C9 | C8 | H8A | 0.1° | 0.0° |
| H8A | C8 | C7 | H7A | 0.2° | 0.0° |
| H5A | C5 | C4 | H4A | 149.7° | 180.0° |
| H5A | C5 | C4 | H4B | 91.8° | 60.0° |
| H5B | C5 | C4 | H4A | 30.9° | 60.0° |
| H5B | C5 | C4 | H4B | 149.5° | 180.0° |
| H2A | C2 | C1 | H1A | 61.2° | 60.0° |
| H2A | C2 | C1 | H1B | 179.5° | 180.0° |
| H2B | C2 | C1 | H1A | 179.7° | NaN° |
| H2B | C2 | C1 | H1B | 61.0° | 60.0° |
