SXM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P24 | O27 | sing | 1.61Å | 1.56Å | |
| P24 | O23 | sing | 1.61Å | 1.48Å | |
| O26 | P24 | sing | 1.61Å | 1.48Å | |
| O26 | HO26 | sing | 0.97Å | 0.95Å | |
| O23 | HO23 | sing | 0.97Å | 0.95Å | |
| C28 | O27 | sing | 1.43Å | 1.46Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C29 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | C29 | sing | 1.53Å | 1.59Å | |
| C32 | C34 | sing | 1.51Å | 1.53Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| O33 | C32 | sing | 1.43Å | 1.44Å | |
| C34 | O35 | doub | 1.21Å | 1.24Å | |
| N36 | C34 | sing | 1.35Å | 1.29Å | |
| C37 | N36 | sing | 1.46Å | 1.46Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C39 | C38 | sing | 1.51Å | 1.53Å | |
| C39 | O40 | doub | 1.21Å | 1.24Å | |
| N41 | C39 | sing | 1.35Å | 1.31Å | |
| C42 | N41 | sing | 1.46Å | 1.45Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C43 | C42 | sing | 1.53Å | 1.51Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| S1 | C43 | sing | 1.81Å | 1.73Å | |
| S1 | C1 | sing | 1.71Å | 1.76Å | |
| C1 | O1 | doub | 1.21Å | 1.26Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.51Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | O3B | sing | 1.34Å | 1.26Å | |
| O3A | C3 | doub | 1.21Å | 1.26Å | |
| O3B | HO3B | sing | 0.97Å | 0.95Å | |
| H28A | C28 | sing | 1.09Å | 1.10Å | |
| H30B | C30 | sing | 1.09Å | 1.10Å | |
| HO33 | O33 | sing | 0.97Å | 0.95Å | |
| HN36 | N36 | sing | 0.97Å | 1.00Å | |
| H38 | C38 | sing | 1.09Å | 1.10Å | |
| H38A | C38 | sing | 1.09Å | 1.10Å | |
| HN41 | N41 | sing | 0.97Å | 1.00Å | |
| H42A | C42 | sing | 1.09Å | 1.10Å | |
| H43A | C43 | sing | 1.09Å | 1.10Å | |
| H2A | C2 | sing | 1.09Å | 1.10Å | |
| P24 | O10 | doub | 1.48Å | 1.47Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | P24 | O23 | 108.5° | 109.5° |
| O27 | P24 | O26 | 110.0° | 109.5° |
| P24 | O27 | C28 | 117.8° | 123.0° |
| O27 | P24 | O10 | 169.7° | 109.4° |
| O23 | P24 | O26 | 118.7° | 109.5° |
| P24 | O23 | HO23 | 109.5° | 114.0° |
| O23 | P24 | O10 | 76.6° | 109.5° |
| P24 | O26 | HO26 | 109.5° | 114.0° |
| O26 | P24 | O10 | 73.8° | 109.4° |
| O27 | C28 | H28 | 109.0° | 109.5° |
| O27 | C28 | C29 | 111.0° | 109.5° |
| O27 | C28 | H28A | 108.9° | 109.5° |
| H28 | C28 | C29 | 108.9° | 109.4° |
| H28 | C28 | H28A | 110.0° | 109.5° |
| C28 | C29 | C31 | 110.4° | 109.4° |
| C28 | C29 | C30 | 107.1° | 109.5° |
| C28 | C29 | C32 | 111.8° | 109.5° |
| C29 | C28 | H28A | 109.0° | 109.5° |
| C31 | C29 | C30 | 109.3° | 109.5° |
| C29 | C31 | H31A | 109.5° | 109.5° |
| C29 | C31 | H31B | 109.4° | 109.5° |
| C29 | C31 | H31 | 109.4° | 109.5° |
| C31 | C29 | C32 | 109.3° | 109.5° |
| C29 | C30 | H30 | 109.5° | 109.5° |
| C29 | C30 | H30A | 109.5° | 109.5° |
| C30 | C29 | C32 | 108.8° | 109.5° |
| C29 | C30 | H30B | 109.5° | 109.5° |
| H30 | C30 | H30A | 109.4° | 109.5° |
| H30 | C30 | H30B | 109.4° | 109.4° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| H31A | C31 | H31B | 109.5° | 109.4° |
| H31A | C31 | H31 | 109.5° | 109.5° |
| H31B | C31 | H31 | 109.5° | 109.4° |
| C29 | C32 | C34 | 113.4° | 109.5° |
| C29 | C32 | H32 | 104.1° | 109.5° |
| C29 | C32 | O33 | 112.5° | 109.5° |
| C34 | C32 | H32 | 108.6° | 109.5° |
| C34 | C32 | O33 | 108.4° | 109.5° |
| C32 | C34 | O35 | 123.7° | 120.0° |
| C32 | C34 | N36 | 112.9° | 120.0° |
| H32 | C32 | O33 | 109.6° | 109.4° |
| C32 | O33 | HO33 | 109.5° | 114.0° |
| O35 | C34 | N36 | 123.4° | 119.9° |
| C34 | N36 | C37 | 125.6° | 120.0° |
| C34 | N36 | HN36 | 117.2° | 119.9° |
| N36 | C37 | H37A | 108.4° | 109.5° |
| N36 | C37 | H37 | 108.4° | 109.5° |
| N36 | C37 | C38 | 112.8° | 109.4° |
| C37 | N36 | HN36 | 117.2° | 120.1° |
| H37A | C37 | H37 | 110.5° | 109.5° |
| H37A | C37 | C38 | 108.4° | 109.5° |
| H37 | C37 | C38 | 108.4° | 109.5° |
| C37 | C38 | C39 | 114.0° | 109.4° |
| C37 | C38 | H38 | 108.0° | 109.5° |
| C37 | C38 | H38A | 108.0° | 109.5° |
| C38 | C39 | O40 | 122.3° | 120.0° |
| C38 | C39 | N41 | 115.3° | 120.0° |
| C39 | C38 | H38 | 108.0° | 109.5° |
| C39 | C38 | H38A | 108.0° | 109.5° |
| O40 | C39 | N41 | 122.4° | 120.0° |
| C39 | N41 | C42 | 122.6° | 120.0° |
| C39 | N41 | HN41 | 118.7° | 120.0° |
| N41 | C42 | H42 | 108.2° | 109.5° |
| N41 | C42 | C43 | 113.3° | 109.4° |
| C42 | N41 | HN41 | 118.7° | 120.0° |
| N41 | C42 | H42A | 108.2° | 109.5° |
| H42 | C42 | C43 | 108.2° | 109.4° |
| H42 | C42 | H42A | 110.7° | 109.5° |
| C42 | C43 | H43 | 110.1° | 109.5° |
| C42 | C43 | S1 | 107.8° | 109.5° |
| C43 | C42 | H42A | 108.2° | 109.5° |
| C42 | C43 | H43A | 110.0° | 109.5° |
| H43 | C43 | S1 | 110.0° | 109.5° |
| H43 | C43 | H43A | 108.9° | 109.5° |
| C43 | S1 | C1 | 99.1° | 100.0° |
| S1 | C43 | H43A | 110.1° | 109.4° |
| S1 | C1 | O1 | 124.5° | 120.0° |
| S1 | C1 | C2 | 114.7° | 120.0° |
| O1 | C1 | C2 | 120.8° | 120.0° |
| C1 | C2 | C3 | 117.0° | 109.4° |
| C1 | C2 | H2 | 107.0° | 109.5° |
| C1 | C2 | H2A | 107.0° | 109.5° |
| C3 | C2 | H2 | 107.0° | 109.5° |
| C2 | C3 | O3B | 121.0° | 120.0° |
| C2 | C3 | O3A | 118.1° | 120.0° |
| C3 | C2 | H2A | 107.0° | 109.5° |
| H2 | C2 | H2A | 111.8° | 109.4° |
| O3B | C3 | O3A | 120.9° | 120.0° |
| C3 | O3B | HO3B | 109.5° | 117.0° |
| H38 | C38 | H38A | 110.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | P24 | O23 | O26 | 126.5° | 120.0° |
| O27 | P24 | O23 | O10 | 170.7° | 120.0° |
| O27 | P24 | O26 | O10 | 170.0° | 119.9° |
| O27 | P24 | O26 | HO26 | 170.0° | 60.0° |
| O27 | P24 | O23 | HO23 | 170.8° | 180.0° |
| P24 | O27 | C28 | H28 | 51.4° | 60.0° |
| P24 | O27 | C28 | C29 | 171.4° | 180.0° |
| P24 | O27 | C28 | H28A | 68.6° | 60.0° |
| O23 | P24 | O26 | O10 | 64.3° | 120.0° |
| O23 | P24 | O26 | HO26 | 64.2° | 60.0° |
| O23 | P24 | O27 | C28 | 71.1° | 175.0° |
| O26 | P24 | O23 | HO23 | 62.7° | 60.0° |
| O26 | P24 | O27 | C28 | 60.3° | 65.0° |
| HO26 | O26 | P24 | O10 | 0.0° | 179.9° |
| HO23 | O23 | P24 | O10 | 0.0° | 60.0° |
| O27 | C28 | H28 | C29 | 121.3° | 120.0° |
| O27 | C28 | H28 | H28A | 119.3° | 120.0° |
| O27 | C28 | C29 | H28A | 120.0° | 120.0° |
| O27 | C28 | C29 | C31 | 56.9° | 60.0° |
| O27 | C28 | C29 | C30 | 62.0° | 60.0° |
| O27 | C28 | C29 | C32 | 178.8° | 180.0° |
| C28 | O27 | P24 | O10 | 170.5° | 55.0° |
| H28 | C28 | C29 | H28A | 120.0° | 120.0° |
| H28 | C28 | C29 | C31 | 63.2° | 60.0° |
| H28 | C28 | C29 | C30 | 178.0° | 180.0° |
| H28 | C28 | C29 | C32 | 58.8° | 60.0° |
| C28 | C29 | C31 | C30 | 117.6° | 120.0° |
| C28 | C29 | C31 | C32 | 123.4° | 120.0° |
| C28 | C29 | C30 | C32 | 121.0° | 120.0° |
| C28 | C29 | C30 | H30 | 180.0° | 65.1° |
| C28 | C29 | C30 | H30A | 60.0° | 174.9° |
| C28 | C29 | C31 | H31A | 180.0° | 52.9° |
| C28 | C29 | C31 | H31B | 60.0° | 172.9° |
| C28 | C29 | C31 | H31 | 60.0° | 67.2° |
| C28 | C29 | C32 | C34 | 44.0° | 54.6° |
| C28 | C29 | C32 | H32 | 161.9° | 174.6° |
| C28 | C29 | C32 | O33 | 79.5° | 65.4° |
| C28 | C29 | C30 | H30B | 60.0° | 54.8° |
| C31 | C29 | C30 | C32 | 119.3° | 120.0° |
| C31 | C29 | C30 | H30 | 60.4° | 54.9° |
| C31 | C29 | C30 | H30A | 179.7° | 65.1° |
| C29 | C31 | H31A | H31B | 120.0° | 120.0° |
| C29 | C31 | H31A | H31 | 120.0° | 120.1° |
| C29 | C31 | H31B | H31 | 120.0° | 120.0° |
| C31 | C29 | C32 | C34 | 78.6° | 65.4° |
| C31 | C29 | C32 | H32 | 39.3° | 54.6° |
| C31 | C29 | C32 | O33 | 157.9° | 174.6° |
| C31 | C29 | C28 | H28A | 176.8° | 180.0° |
| C31 | C29 | C30 | H30B | 59.6° | 174.8° |
| C29 | C30 | H30 | H30A | 120.0° | 120.0° |
| C29 | C30 | H30 | H30B | 120.0° | 120.0° |
| C29 | C30 | H30A | H30B | 120.0° | 120.0° |
| C30 | C29 | C31 | H31A | 62.4° | 172.9° |
| C30 | C29 | C31 | H31B | 57.6° | 67.1° |
| C30 | C29 | C31 | H31 | 177.6° | 52.8° |
| C30 | C29 | C32 | C34 | 162.1° | 174.6° |
| C30 | C29 | C32 | H32 | 80.0° | 65.4° |
| C30 | C29 | C32 | O33 | 38.6° | 54.6° |
| C30 | C29 | C28 | H28A | 57.9° | 60.0° |
| H30 | C30 | H30A | H30B | 120.0° | 119.9° |
| H30 | C30 | C29 | C32 | 59.0° | 174.9° |
| H30A | C30 | C29 | C32 | 61.0° | 54.9° |
| H31A | C31 | H31B | H31 | 120.0° | 120.0° |
| H31A | C31 | C29 | C32 | 56.6° | 67.1° |
| H31B | C31 | C29 | C32 | 176.6° | 52.9° |
| H31 | C31 | C29 | C32 | 63.4° | 172.8° |
| C29 | C32 | C34 | H32 | 115.2° | 120.0° |
| C29 | C32 | C34 | O33 | 125.7° | 120.0° |
| C29 | C32 | H32 | O33 | 120.6° | 120.0° |
| C29 | C32 | C34 | O35 | 33.2° | 107.2° |
| C29 | C32 | C34 | N36 | 145.8° | 72.8° |
| C32 | C29 | C28 | H28A | 61.2° | 60.0° |
| C32 | C29 | C30 | H30B | 178.9° | 65.2° |
| C29 | C32 | O33 | HO33 | 180.0° | 60.0° |
| C34 | C32 | H32 | O33 | 118.2° | 120.0° |
| C32 | C34 | O35 | N36 | 178.9° | 180.0° |
| C32 | C34 | N36 | C37 | 178.7° | 175.1° |
| C34 | C32 | O33 | HO33 | 53.7° | 60.0° |
| C32 | C34 | N36 | HN36 | 1.3° | 4.9° |
| H32 | C32 | C34 | O35 | 82.0° | 132.8° |
| H32 | C32 | C34 | N36 | 99.0° | 47.2° |
| H32 | C32 | O33 | HO33 | 64.7° | 180.0° |
| O33 | C32 | C34 | O35 | 158.9° | 12.8° |
| O33 | C32 | C34 | N36 | 20.1° | 167.1° |
| O35 | C34 | N36 | C37 | 0.3° | 4.9° |
| O35 | C34 | N36 | HN36 | 179.7° | 175.2° |
| C34 | N36 | C37 | HN36 | 180.0° | 180.0° |
| C34 | N36 | C37 | H37A | 70.9° | 60.0° |
| C34 | N36 | C37 | H37 | 49.1° | 60.0° |
| C34 | N36 | C37 | C38 | 169.1° | 180.0° |
| N36 | C37 | H37A | H37 | 118.6° | 120.0° |
| N36 | C37 | H37A | C38 | 122.7° | 120.0° |
| N36 | C37 | H37 | C38 | 122.7° | 119.9° |
| N36 | C37 | C38 | C39 | 50.6° | 180.0° |
| N36 | C37 | C38 | H38 | 69.5° | 60.0° |
| N36 | C37 | C38 | H38A | 170.5° | 60.0° |
| H37A | C37 | H37 | C38 | 118.7° | 120.0° |
| H37A | C37 | C38 | C39 | 170.6° | 60.0° |
| H37A | C37 | N36 | HN36 | 109.1° | 119.9° |
| H37A | C37 | C38 | H38 | 50.5° | 60.0° |
| H37A | C37 | C38 | H38A | 69.5° | 180.0° |
| H37 | C37 | C38 | C39 | 69.4° | 60.0° |
| H37 | C37 | N36 | HN36 | 130.9° | 120.0° |
| H37 | C37 | C38 | H38 | 170.6° | 179.9° |
| H37 | C37 | C38 | H38A | 50.5° | 60.0° |
| C37 | C38 | C39 | H38 | 120.0° | 120.0° |
| C37 | C38 | C39 | H38A | 120.0° | 120.0° |
| C37 | C38 | C39 | O40 | 1.7° | 0.0° |
| C37 | C38 | C39 | N41 | 178.4° | 180.0° |
| C38 | C37 | N36 | HN36 | 10.9° | 0.0° |
| C37 | C38 | H38 | H38A | 118.2° | 120.0° |
| C38 | C39 | O40 | N41 | 179.9° | 179.9° |
| C38 | C39 | N41 | C42 | 179.1° | 180.0° |
| C39 | C38 | H38 | H38A | 118.1° | 120.0° |
| C38 | C39 | N41 | HN41 | 0.9° | 0.1° |
| O40 | C39 | N41 | C42 | 1.0° | 0.1° |
| O40 | C39 | C38 | H38 | 121.7° | 120.0° |
| O40 | C39 | C38 | H38A | 118.3° | 119.9° |
| O40 | C39 | N41 | HN41 | 179.0° | 180.0° |
| C39 | N41 | C42 | HN41 | 180.0° | 179.9° |
| C39 | N41 | C42 | H42 | 7.4° | 60.1° |
| C39 | N41 | C42 | C43 | 127.4° | 180.0° |
| N41 | C39 | C38 | H38 | 58.4° | 60.0° |
| N41 | C39 | C38 | H38A | 61.6° | 60.0° |
| C39 | N41 | C42 | H42A | 112.6° | 60.0° |
| N41 | C42 | H42 | C43 | 123.1° | 119.9° |
| N41 | C42 | H42 | H42A | 118.4° | 120.1° |
| N41 | C42 | C43 | H42A | 120.0° | 120.0° |
| N41 | C42 | C43 | H43 | 67.1° | 60.0° |
| N41 | C42 | C43 | S1 | 172.9° | 180.0° |
| N41 | C42 | C43 | H43A | 52.9° | 60.0° |
| H42 | C42 | C43 | H42A | 120.0° | 120.0° |
| H42 | C42 | C43 | H43 | 172.9° | 180.0° |
| H42 | C42 | C43 | S1 | 52.9° | 60.0° |
| H42 | C42 | N41 | HN41 | 172.6° | 120.0° |
| H42 | C42 | C43 | H43A | 67.1° | 60.0° |
| C42 | C43 | H43 | S1 | 118.6° | 120.0° |
| C42 | C43 | H43 | H43A | 120.7° | 120.0° |
| C42 | C43 | S1 | H43A | 120.0° | 120.0° |
| C42 | C43 | S1 | C1 | 64.2° | 180.0° |
| C43 | C42 | N41 | HN41 | 52.6° | 0.1° |
| H43 | C43 | S1 | H43A | 120.0° | 120.0° |
| H43 | C43 | S1 | C1 | 175.8° | 60.0° |
| H43 | C43 | C42 | H42A | 52.9° | 60.0° |
| C43 | S1 | C1 | O1 | 24.8° | 0.0° |
| C43 | S1 | C1 | C2 | 155.9° | 180.0° |
| S1 | C43 | C42 | H42A | 67.1° | 60.0° |
| S1 | C1 | O1 | C2 | 179.3° | 180.0° |
| S1 | C1 | C2 | C3 | 70.1° | 180.0° |
| S1 | C1 | C2 | H2 | 49.9° | 60.0° |
| C1 | S1 | C43 | H43A | 55.8° | 60.0° |
| S1 | C1 | C2 | H2A | 169.9° | 60.0° |
| O1 | C1 | C2 | C3 | 110.5° | 0.0° |
| O1 | C1 | C2 | H2 | 129.5° | 120.0° |
| O1 | C1 | C2 | H2A | 9.5° | 120.0° |
| C1 | C2 | C3 | H2 | 120.0° | 120.1° |
| C1 | C2 | C3 | H2A | 120.0° | 120.0° |
| C1 | C2 | H2 | H2A | 116.9° | 120.0° |
| C1 | C2 | C3 | O3B | 9.6° | 180.0° |
| C1 | C2 | C3 | O3A | 171.3° | 0.1° |
| C3 | C2 | H2 | H2A | 116.9° | 120.0° |
| C2 | C3 | O3B | O3A | 179.0° | 179.9° |
| C2 | C3 | O3B | HO3B | 179.0° | 179.9° |
| H2 | C2 | C3 | O3B | 129.6° | 59.9° |
| H2 | C2 | C3 | O3A | 51.3° | 120.0° |
| O3B | C3 | C2 | H2A | 110.4° | 60.0° |
| O3A | C3 | O3B | HO3B | 0.0° | 0.0° |
| O3A | C3 | C2 | H2A | 68.7° | 120.0° |
| HN41 | N41 | C42 | H42A | 67.4° | 119.9° |
| H42A | C42 | C43 | H43A | 172.9° | NaN° |
