SXV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | P24 | doub | 1.48Å | 1.53Å | |
| O26 | P24 | sing | 1.61Å | 1.55Å | |
| P24 | O27 | sing | 1.61Å | 1.54Å | |
| P24 | O23 | sing | 1.61Å | 1.55Å | |
| O26 | HO26 | sing | 0.97Å | 0.95Å | |
| O23 | HO23 | sing | 0.97Å | 0.95Å | |
| O27 | C28 | sing | 1.43Å | 1.46Å | |
| H28 | C28 | sing | 1.09Å | 1.10Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C31 | C29 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | C32 | sing | 1.53Å | 1.58Å | |
| H30B | C30 | sing | 1.09Å | 1.10Å | |
| H30A | C30 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| H31B | C31 | sing | 1.09Å | 1.10Å | |
| H31A | C31 | sing | 1.09Å | 1.10Å | |
| H31 | C31 | sing | 1.09Å | 1.10Å | |
| O33 | C32 | sing | 1.43Å | 1.45Å | |
| C34 | C32 | sing | 1.51Å | 1.53Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å | |
| N36 | C34 | sing | 1.35Å | 1.29Å | |
| C34 | O35 | doub | 1.21Å | 1.24Å | |
| C37 | N36 | sing | 1.47Å | 1.45Å | |
| HN36 | N36 | sing | 0.97Å | 1.00Å | |
| C38 | C37 | sing | 1.53Å | 1.52Å | |
| H37A | C37 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| H38A | C38 | sing | 1.09Å | 1.10Å | |
| H38 | C38 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.51Å | 1.52Å | |
| N41 | C39 | sing | 1.35Å | 1.31Å | |
| C39 | O40 | doub | 1.21Å | 1.25Å | |
| HN41 | N41 | sing | 0.97Å | 1.00Å | |
| N41 | C42 | sing | 1.47Å | 1.45Å | |
| C43 | C42 | sing | 1.53Å | 1.51Å | |
| H42A | C42 | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| H43A | C43 | sing | 1.09Å | 1.10Å | |
| S1 | C43 | sing | 1.81Å | 1.79Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C1 | S1 | sing | 1.81Å | 1.81Å | |
| H1A | C1 | sing | 1.09Å | 1.10Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| H2 | C2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| O3 | C3 | doub | 1.21Å | 1.25Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| H4A | C4 | sing | 1.09Å | 1.10Å | |
| H4B | C4 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | P24 | O26 | 107.0° | 109.5° |
| O25 | P24 | O27 | 104.2° | 109.5° |
| O25 | P24 | O23 | 106.9° | 109.4° |
| O26 | P24 | O27 | 109.4° | 109.4° |
| O26 | P24 | O23 | 118.4° | 109.5° |
| P24 | O26 | HO26 | 109.5° | 114.0° |
| O27 | P24 | O23 | 109.9° | 109.5° |
| P24 | O27 | C28 | 118.8° | 123.0° |
| P24 | O23 | HO23 | 109.5° | 114.0° |
| O27 | C28 | H28 | 109.1° | 109.5° |
| O27 | C28 | C29 | 110.5° | 109.5° |
| O27 | C28 | H28A | 108.9° | 109.5° |
| H28 | C28 | C29 | 109.1° | 109.5° |
| H28 | C28 | H28A | 110.3° | 109.5° |
| C29 | C28 | H28A | 108.9° | 109.5° |
| C28 | C29 | C31 | 110.2° | 109.5° |
| C28 | C29 | C30 | 107.0° | 109.5° |
| C28 | C29 | C32 | 109.1° | 109.5° |
| C31 | C29 | C30 | 110.1° | 109.4° |
| C31 | C29 | C32 | 109.9° | 109.5° |
| C29 | C31 | H31B | 109.5° | 109.5° |
| C29 | C31 | H31A | 109.5° | 109.5° |
| C29 | C31 | H31 | 109.4° | 109.4° |
| C30 | C29 | C32 | 110.4° | 109.5° |
| C29 | C30 | H30B | 109.5° | 109.5° |
| C29 | C30 | H30A | 109.5° | 109.5° |
| C29 | C30 | H30 | 109.5° | 109.4° |
| C29 | C32 | O33 | 110.8° | 109.5° |
| C29 | C32 | C34 | 112.0° | 109.5° |
| C29 | C32 | H32 | 106.2° | 109.4° |
| H30B | C30 | H30A | 109.4° | 109.5° |
| H30B | C30 | H30 | 109.4° | 109.5° |
| H30A | C30 | H30 | 109.5° | 109.5° |
| H31B | C31 | H31A | 109.5° | 109.5° |
| H31B | C31 | H31 | 109.5° | 109.4° |
| H31A | C31 | H31 | 109.5° | 109.5° |
| O33 | C32 | C34 | 107.6° | 109.5° |
| O33 | C32 | H32 | 110.8° | 109.5° |
| C32 | O33 | HO33 | 109.5° | 114.0° |
| C34 | C32 | H32 | 109.4° | 109.4° |
| C32 | C34 | N36 | 112.6° | 120.0° |
| C32 | C34 | O35 | 123.6° | 120.0° |
| N36 | C34 | O35 | 123.8° | 120.0° |
| C34 | N36 | C37 | 126.0° | 120.0° |
| C34 | N36 | HN36 | 117.0° | 120.1° |
| C37 | N36 | HN36 | 117.0° | 120.0° |
| N36 | C37 | C38 | 111.1° | 109.4° |
| N36 | C37 | H37A | 108.9° | 109.4° |
| N36 | C37 | H37 | 108.6° | 109.5° |
| C38 | C37 | H37A | 108.9° | 109.5° |
| C38 | C37 | H37 | 108.6° | 109.5° |
| C37 | C38 | H38A | 108.2° | 109.5° |
| C37 | C38 | H38 | 107.4° | 109.5° |
| C37 | C38 | C39 | 113.2° | 109.5° |
| H37A | C37 | H37 | 110.8° | 109.5° |
| H38A | C38 | H38 | 112.4° | 109.5° |
| H38A | C38 | C39 | 108.3° | 109.5° |
| H38 | C38 | C39 | 107.4° | 109.5° |
| C38 | C39 | N41 | 114.0° | 120.0° |
| C38 | C39 | O40 | 122.1° | 120.0° |
| N41 | C39 | O40 | 124.0° | 120.0° |
| C39 | N41 | HN41 | 117.2° | 120.0° |
| C39 | N41 | C42 | 125.6° | 120.0° |
| HN41 | N41 | C42 | 117.2° | 120.0° |
| N41 | C42 | C43 | 110.7° | 109.4° |
| N41 | C42 | H42A | 109.1° | 109.5° |
| N41 | C42 | H42 | 108.8° | 109.5° |
| C43 | C42 | H42A | 109.1° | 109.5° |
| C43 | C42 | H42 | 108.8° | 109.5° |
| C42 | C43 | H43A | 107.8° | 109.5° |
| C42 | C43 | S1 | 114.6° | 109.5° |
| C42 | C43 | H43 | 106.6° | 109.5° |
| H42A | C42 | H42 | 110.4° | 109.5° |
| H43A | C43 | S1 | 107.8° | 109.4° |
| H43A | C43 | H43 | 113.6° | 109.4° |
| S1 | C43 | H43 | 106.6° | 109.5° |
| C43 | S1 | C1 | 99.2° | 103.1° |
| S1 | C1 | H1A | 108.1° | 109.5° |
| S1 | C1 | C2 | 113.7° | 109.5° |
| S1 | C1 | H1 | 107.1° | 109.4° |
| H1A | C1 | C2 | 108.1° | 109.5° |
| H1A | C1 | H1 | 112.8° | 109.5° |
| C2 | C1 | H1 | 107.1° | 109.5° |
| C1 | C2 | C3 | 112.2° | 109.5° |
| C1 | C2 | H2 | 108.5° | 109.5° |
| C1 | C2 | H2A | 107.9° | 109.5° |
| C3 | C2 | H2 | 108.6° | 109.5° |
| C3 | C2 | H2A | 107.9° | 109.5° |
| C2 | C3 | O3 | 120.7° | 119.9° |
| C2 | C3 | C4 | 118.2° | 120.0° |
| H2 | C2 | H2A | 111.7° | 109.4° |
| O3 | C3 | C4 | 121.1° | 120.0° |
| C3 | C4 | H4A | 109.5° | 109.5° |
| C3 | C4 | H4B | 109.4° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.4° |
| H4A | C4 | H4 | 109.5° | 109.5° |
| H4B | C4 | H4 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | P24 | O26 | O27 | 112.3° | 120.0° |
| O25 | P24 | O26 | O23 | 120.8° | 120.0° |
| O25 | P24 | O27 | O23 | 114.2° | 120.0° |
| O25 | P24 | O26 | HO26 | 171.2° | 180.0° |
| O25 | P24 | O23 | HO23 | 3.1° | 60.1° |
| O25 | P24 | O27 | C28 | 175.2° | 55.0° |
| O26 | P24 | O27 | O23 | 131.6° | 120.0° |
| O26 | P24 | O23 | HO23 | 123.9° | 59.9° |
| O26 | P24 | O27 | C28 | 61.1° | 65.0° |
| O27 | P24 | O26 | HO26 | 76.5° | 60.0° |
| O27 | P24 | O23 | HO23 | 109.4° | 179.9° |
| P24 | O27 | C28 | H28 | 54.2° | 60.0° |
| P24 | O27 | C28 | C29 | 174.3° | 180.0° |
| P24 | O27 | C28 | H28A | 66.2° | 60.0° |
| O23 | P24 | O26 | HO26 | 50.4° | 60.0° |
| O23 | P24 | O27 | C28 | 70.5° | 175.0° |
| O27 | C28 | H28 | C29 | 120.9° | 120.0° |
| O27 | C28 | H28 | H28A | 119.6° | 120.0° |
| O27 | C28 | C29 | H28A | 119.6° | 120.0° |
| O27 | C28 | C29 | C31 | 54.1° | 60.0° |
| O27 | C28 | C29 | C30 | 65.6° | 60.0° |
| O27 | C28 | C29 | C32 | 174.9° | 180.0° |
| H28 | C28 | C29 | H28A | 120.4° | 120.0° |
| H28 | C28 | C29 | C31 | 65.9° | 60.0° |
| H28 | C28 | C29 | C30 | 174.4° | 180.0° |
| H28 | C28 | C29 | C32 | 54.9° | 60.0° |
| C28 | C29 | C31 | C30 | 117.8° | 120.0° |
| C28 | C29 | C31 | C32 | 120.3° | 120.0° |
| C28 | C29 | C30 | C32 | 118.6° | 120.0° |
| C28 | C29 | C30 | H30B | 87.2° | 62.9° |
| C28 | C29 | C30 | H30A | 152.8° | 177.0° |
| C28 | C29 | C30 | H30 | 32.8° | 57.0° |
| C28 | C29 | C31 | H31B | 13.8° | 67.1° |
| C28 | C29 | C31 | H31A | 133.8° | 172.8° |
| C28 | C29 | C31 | H31 | 106.2° | 52.8° |
| C28 | C29 | C32 | O33 | 48.6° | 65.6° |
| C28 | C29 | C32 | C34 | 168.8° | 54.5° |
| C28 | C29 | C32 | H32 | 71.8° | 174.4° |
| H28A | C28 | C29 | C31 | 173.7° | 180.0° |
| H28A | C28 | C29 | C30 | 54.0° | 60.0° |
| H28A | C28 | C29 | C32 | 65.5° | 60.0° |
| C31 | C29 | C30 | C32 | 121.6° | 120.0° |
| C31 | C29 | C30 | H30B | 32.6° | 177.1° |
| C31 | C29 | C30 | H30A | 87.4° | 57.0° |
| C31 | C29 | C30 | H30 | 152.5° | 63.0° |
| C29 | C31 | H31B | H31A | 120.0° | 120.1° |
| C29 | C31 | H31B | H31 | 120.0° | 119.9° |
| C29 | C31 | H31A | H31 | 120.0° | 120.0° |
| C31 | C29 | C32 | O33 | 72.3° | 174.4° |
| C31 | C29 | C32 | C34 | 47.9° | 65.5° |
| C31 | C29 | C32 | H32 | 167.3° | 54.4° |
| C29 | C30 | H30B | H30A | 120.0° | 120.0° |
| C29 | C30 | H30B | H30 | 120.0° | 119.9° |
| C29 | C30 | H30A | H30 | 120.0° | 120.0° |
| C30 | C29 | C31 | H31B | 131.6° | 52.9° |
| C30 | C29 | C31 | H31A | 108.4° | 67.2° |
| C30 | C29 | C31 | H31 | 11.6° | 172.8° |
| C30 | C29 | C32 | O33 | 165.9° | 54.5° |
| C30 | C29 | C32 | C34 | 73.8° | 174.5° |
| C30 | C29 | C32 | H32 | 45.6° | 65.6° |
| C32 | C29 | C30 | H30B | 154.2° | 57.1° |
| C32 | C29 | C30 | H30A | 34.2° | 62.9° |
| C32 | C29 | C30 | H30 | 85.8° | 177.0° |
| C32 | C29 | C31 | H31B | 106.5° | 172.9° |
| C32 | C29 | C31 | H31A | 13.5° | 52.8° |
| C32 | C29 | C31 | H31 | 133.5° | 67.2° |
| C29 | C32 | O33 | C34 | 122.8° | 120.0° |
| C29 | C32 | O33 | H32 | 117.6° | 120.0° |
| C29 | C32 | C34 | H32 | 117.5° | 119.9° |
| C29 | C32 | O33 | HO33 | 113.6° | 60.1° |
| C29 | C32 | C34 | N36 | 124.4° | 72.1° |
| C29 | C32 | C34 | O35 | 56.4° | 107.8° |
| H30B | C30 | H30A | H30 | 119.9° | 120.0° |
| H31B | C31 | H31A | H31 | 120.0° | 120.0° |
| O33 | C32 | C34 | H32 | 120.4° | 120.0° |
| O33 | C32 | C34 | N36 | 2.4° | 167.9° |
| O33 | C32 | C34 | O35 | 178.4° | 12.2° |
| C34 | C32 | O33 | HO33 | 123.6° | 60.0° |
| C32 | C34 | N36 | O35 | 179.2° | 179.9° |
| C32 | C34 | N36 | C37 | 179.9° | 174.9° |
| C32 | C34 | N36 | HN36 | 0.1° | 5.1° |
| H32 | C32 | O33 | HO33 | 4.0° | 180.0° |
| H32 | C32 | C34 | N36 | 118.0° | 47.8° |
| H32 | C32 | C34 | O35 | 61.2° | 132.2° |
| C34 | N36 | C37 | HN36 | 180.0° | 180.0° |
| C34 | N36 | C37 | C38 | 149.1° | 180.0° |
| C34 | N36 | C37 | H37A | 90.9° | 60.1° |
| C34 | N36 | C37 | H37 | 29.8° | 60.0° |
| O35 | C34 | N36 | C37 | 0.9° | 5.1° |
| O35 | C34 | N36 | HN36 | 179.1° | 174.9° |
| N36 | C37 | C38 | H37A | 120.0° | 119.9° |
| N36 | C37 | C38 | H37 | 119.3° | 120.0° |
| N36 | C37 | H37A | H37 | 119.3° | 120.0° |
| N36 | C37 | C38 | H38A | 178.1° | 60.0° |
| N36 | C37 | C38 | H38 | 56.5° | 60.0° |
| N36 | C37 | C38 | C39 | 61.9° | 180.0° |
| HN36 | N36 | C37 | C38 | 30.9° | 0.0° |
| HN36 | N36 | C37 | H37A | 89.1° | 119.9° |
| HN36 | N36 | C37 | H37 | 150.2° | 120.0° |
| C38 | C37 | H37A | H37 | 119.3° | 120.0° |
| C37 | C38 | H38A | H38 | 118.4° | 120.0° |
| C37 | C38 | H38A | C39 | 123.1° | 120.0° |
| C37 | C38 | H38 | C39 | 122.1° | 120.0° |
| C37 | C38 | C39 | N41 | 156.8° | 180.0° |
| C37 | C38 | C39 | O40 | 23.1° | 0.0° |
| H37A | C37 | C38 | H38A | 61.9° | 180.0° |
| H37A | C37 | C38 | H38 | 176.5° | 59.9° |
| H37A | C37 | C38 | C39 | 58.1° | 60.0° |
| H37 | C37 | C38 | H38A | 58.8° | 60.0° |
| H37 | C37 | C38 | H38 | 62.8° | 180.0° |
| H37 | C37 | C38 | C39 | 178.8° | 60.0° |
| H38A | C38 | H38 | C39 | 119.0° | 120.0° |
| H38A | C38 | C39 | N41 | 83.1° | 59.9° |
| H38A | C38 | C39 | O40 | 96.9° | 120.1° |
| H38 | C38 | C39 | N41 | 38.5° | 60.0° |
| H38 | C38 | C39 | O40 | 141.5° | 120.0° |
| C38 | C39 | N41 | O40 | 179.9° | 180.0° |
| C38 | C39 | N41 | HN41 | 0.0° | 0.0° |
| C38 | C39 | N41 | C42 | 180.0° | 180.0° |
| C39 | N41 | HN41 | C42 | 180.0° | 180.0° |
| C39 | N41 | C42 | C43 | 144.1° | 180.0° |
| C39 | N41 | C42 | H42A | 24.1° | 60.0° |
| C39 | N41 | C42 | H42 | 96.4° | 60.0° |
| O40 | C39 | N41 | HN41 | 180.0° | 180.0° |
| O40 | C39 | N41 | C42 | 0.0° | 0.0° |
| HN41 | N41 | C42 | C43 | 35.9° | 0.0° |
| HN41 | N41 | C42 | H42A | 155.9° | 120.0° |
| HN41 | N41 | C42 | H42 | 83.6° | 120.0° |
| N41 | C42 | C43 | H42A | 120.0° | 120.0° |
| N41 | C42 | C43 | H42 | 119.5° | 120.0° |
| N41 | C42 | H42A | H42 | 119.5° | 120.0° |
| N41 | C42 | C43 | H43A | 47.9° | 60.0° |
| N41 | C42 | C43 | S1 | 167.9° | 180.0° |
| N41 | C42 | C43 | H43 | 74.4° | 60.0° |
| C43 | C42 | H42A | H42 | 119.5° | 120.0° |
| C42 | C43 | H43A | S1 | 124.2° | 120.0° |
| C42 | C43 | H43A | H43 | 117.9° | 120.0° |
| C42 | C43 | S1 | H43 | 117.7° | 120.0° |
| C42 | C43 | S1 | C1 | 179.4° | 180.0° |
| H42A | C42 | C43 | H43A | 167.9° | 180.0° |
| H42A | C42 | C43 | S1 | 72.1° | 60.0° |
| H42A | C42 | C43 | H43 | 45.6° | 60.0° |
| H42 | C42 | C43 | H43A | 71.6° | 60.0° |
| H42 | C42 | C43 | S1 | 48.4° | 60.0° |
| H42 | C42 | C43 | H43 | 166.1° | 180.0° |
| H43A | C43 | S1 | H43 | 122.3° | 119.9° |
| H43A | C43 | S1 | C1 | 60.6° | 59.9° |
| C43 | S1 | C1 | H1A | 58.3° | 60.0° |
| C43 | S1 | C1 | C2 | 178.3° | 180.0° |
| C43 | S1 | C1 | H1 | 63.5° | 60.0° |
| H43 | C43 | S1 | C1 | 61.7° | 60.0° |
| S1 | C1 | H1A | C2 | 123.4° | 120.0° |
| S1 | C1 | H1A | H1 | 118.3° | 120.0° |
| S1 | C1 | C2 | H1 | 118.2° | 120.0° |
| S1 | C1 | C2 | C3 | 178.4° | 180.0° |
| S1 | C1 | C2 | H2 | 61.7° | 60.0° |
| S1 | C1 | C2 | H2A | 59.6° | 60.0° |
| H1A | C1 | C2 | H1 | 121.9° | 120.0° |
| H1A | C1 | C2 | C3 | 58.4° | 60.0° |
| H1A | C1 | C2 | H2 | 178.4° | 60.0° |
| H1A | C1 | C2 | H2A | 60.4° | 180.0° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 118.8° | 120.1° |
| C1 | C2 | H2 | H2A | 118.9° | 120.0° |
| C1 | C2 | C3 | O3 | 112.0° | 0.1° |
| C1 | C2 | C3 | C4 | 67.9° | 180.0° |
| H1 | C1 | C2 | C3 | 63.5° | 60.0° |
| H1 | C1 | C2 | H2 | 56.5° | 180.0° |
| H1 | C1 | C2 | H2A | 177.7° | 60.0° |
| C3 | C2 | H2 | H2A | 118.9° | 120.0° |
| C2 | C3 | O3 | C4 | 179.9° | 179.9° |
| C2 | C3 | C4 | H4A | 158.3° | 120.0° |
| C2 | C3 | C4 | H4B | 38.3° | 120.0° |
| C2 | C3 | C4 | H4 | 81.7° | 0.1° |
| H2 | C2 | C3 | O3 | 128.0° | 120.1° |
| H2 | C2 | C3 | C4 | 52.0° | 60.0° |
| H2A | C2 | C3 | O3 | 6.8° | 120.0° |
| H2A | C2 | C3 | C4 | 173.3° | 59.9° |
| O3 | C3 | C4 | H4A | 21.6° | 59.9° |
| O3 | C3 | C4 | H4B | 141.6° | 60.0° |
| O3 | C3 | C4 | H4 | 98.4° | 180.0° |
| C3 | C4 | H4A | H4B | 119.9° | 120.0° |
| C3 | C4 | H4A | H4 | 120.0° | 120.1° |
| C3 | C4 | H4B | H4 | 120.0° | 120.0° |
| H4A | C4 | H4B | H4 | 120.0° | 120.0° |
