SC1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.32Å | 1.43Å | |
| C1 | C6 | sing | 1.50Å | 1.53Å | |
| C1 | C7 | sing | 1.47Å | 1.49Å | |
| C2 | C3 | sing | 1.50Å | 1.51Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.62Å | |
| C3 | O1 | sing | 1.43Å | 1.60Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | O2 | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.59Å | |
| C5 | O3 | sing | 1.43Å | 1.43Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | O4 | doub | 1.22Å | 1.22Å | |
| C7 | O5 | sing | 1.35Å | 1.20Å | |
| O1 | P1 | sing | 1.61Å | 1.69Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | C8 | sing | 1.43Å | 1.49Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| P1 | O6 | doub | 1.48Å | 1.54Å | |
| P1 | O7 | sing | 1.61Å | 1.58Å | |
| P1 | O8 | sing | 1.61Å | 1.54Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C8 | C9 | sing | 1.53Å | 1.61Å | |
| C8 | C10 | sing | 1.51Å | 1.53Å | |
| C8 | P2 | sing | 1.82Å | 1.90Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C9 | H93 | sing | 1.09Å | 1.12Å | |
| C10 | O9 | doub | 1.21Å | 1.28Å | |
| C10 | O10 | sing | 1.34Å | 1.26Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| P2 | O11 | sing | 1.61Å | 1.55Å | |
| P2 | O12 | doub | 1.48Å | 1.51Å | |
| P2 | O13 | sing | 1.61Å | 1.56Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.9° | 123.8° |
| C2 | C1 | C7 | 119.7° | 118.1° |
| C1 | C2 | C3 | 120.1° | 123.8° |
| C1 | C2 | H2 | 117.2° | 118.1° |
| C6 | C1 | C7 | 118.4° | 118.1° |
| C1 | C6 | C5 | 115.9° | 110.1° |
| C1 | C6 | H61 | 109.9° | 109.4° |
| C1 | C6 | H62 | 109.8° | 109.4° |
| C1 | C7 | O4 | 118.3° | 120.0° |
| C1 | C7 | O5 | 116.2° | 120.0° |
| C3 | C2 | H2 | 122.8° | 118.1° |
| C2 | C3 | C4 | 113.0° | 110.3° |
| C2 | C3 | O1 | 108.2° | 109.3° |
| C2 | C3 | H3 | 109.1° | 109.3° |
| C4 | C3 | O1 | 112.5° | 109.1° |
| C4 | C3 | H3 | 104.4° | 109.4° |
| C3 | C4 | C5 | 107.9° | 108.5° |
| C3 | C4 | O2 | 104.8° | 109.6° |
| C3 | C4 | H4 | 115.3° | 109.6° |
| O1 | C3 | H3 | 109.6° | 109.4° |
| C3 | O1 | P1 | 126.1° | 106.8° |
| C5 | C4 | O2 | 114.6° | 110.1° |
| C5 | C4 | H4 | 105.7° | 109.3° |
| C4 | C5 | C6 | 105.4° | 108.7° |
| C4 | C5 | O3 | 110.4° | 109.6° |
| C4 | C5 | H5 | 111.4° | 109.6° |
| O2 | C4 | H4 | 108.7° | 109.6° |
| C4 | O2 | HO2 | 104.9° | 106.8° |
| C6 | C5 | O3 | 108.9° | 109.6° |
| C6 | C5 | H5 | 112.8° | 109.7° |
| C5 | C6 | H61 | 109.8° | 109.4° |
| C5 | C6 | H62 | 109.9° | 109.3° |
| O3 | C5 | H5 | 108.0° | 109.6° |
| C5 | O3 | C8 | 120.8° | 106.8° |
| H61 | C6 | H62 | 100.4° | 109.2° |
| O4 | C7 | O5 | 125.5° | 120.0° |
| C7 | O5 | HO5 | 116.2° | 120.0° |
| O1 | P1 | O6 | 105.4° | 109.5° |
| O1 | P1 | O7 | 104.3° | 109.5° |
| O1 | P1 | O8 | 99.7° | 109.5° |
| O3 | C8 | C9 | 117.8° | 109.5° |
| O3 | C8 | C10 | 108.4° | 109.5° |
| O3 | C8 | P2 | 106.3° | 109.5° |
| O6 | P1 | O7 | 114.1° | 109.5° |
| O6 | P1 | O8 | 112.9° | 109.5° |
| O7 | P1 | O8 | 118.1° | 109.5° |
| P1 | O7 | HO7 | 104.2° | 106.8° |
| P1 | O8 | HO8 | 99.7° | 106.8° |
| C9 | C8 | C10 | 112.7° | 109.5° |
| C9 | C8 | P2 | 99.0° | 109.5° |
| C8 | C9 | H91 | 117.9° | 109.5° |
| C8 | C9 | H92 | 109.2° | 109.5° |
| C8 | C9 | H93 | 109.2° | 109.5° |
| C10 | C8 | P2 | 112.2° | 109.5° |
| C8 | C10 | O9 | 120.8° | 120.0° |
| C8 | C10 | O10 | 113.0° | 120.0° |
| C8 | P2 | O11 | 106.8° | 109.5° |
| C8 | P2 | O12 | 108.1° | 109.5° |
| C8 | P2 | O13 | 109.6° | 109.4° |
| H91 | C9 | H92 | 109.2° | 109.5° |
| H91 | C9 | H93 | 109.1° | 109.5° |
| H92 | C9 | H93 | 100.9° | 109.4° |
| O9 | C10 | O10 | 125.8° | 119.9° |
| C10 | O10 | H10 | 113.0° | 120.0° |
| O11 | P2 | O12 | 108.7° | 109.5° |
| O11 | P2 | O13 | 109.3° | 109.5° |
| P2 | O11 | H11 | 106.8° | 106.8° |
| O12 | P2 | O13 | 114.0° | 109.5° |
| P2 | O13 | H13 | 109.7° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C7 | 179.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 20.5° | 17.0° |
| C1 | C2 | C3 | O1 | 104.8° | 102.9° |
| C1 | C2 | C3 | H3 | 136.2° | 137.3° |
| C2 | C1 | C6 | C5 | 14.5° | 17.2° |
| C2 | C1 | C6 | H61 | 139.7° | 103.1° |
| C2 | C1 | C6 | H62 | 110.8° | 137.4° |
| C2 | C1 | C7 | O4 | 34.0° | 0.0° |
| C2 | C1 | C7 | O5 | 145.5° | 180.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.4° |
| C6 | C1 | C2 | H2 | 179.8° | 179.5° |
| C1 | C6 | C5 | C4 | 47.5° | 49.7° |
| C1 | C6 | C5 | H61 | 125.2° | 120.2° |
| C1 | C6 | C5 | H62 | 125.2° | 120.2° |
| C1 | C6 | C5 | O3 | 165.9° | 169.5° |
| C1 | C6 | C5 | H5 | 74.2° | 70.2° |
| C1 | C6 | H61 | H62 | 115.7° | 119.7° |
| C6 | C1 | C7 | O4 | 146.9° | 180.0° |
| C6 | C1 | C7 | O5 | 33.5° | 0.0° |
| C7 | C1 | C2 | C3 | 179.2° | 179.6° |
| C7 | C1 | C2 | H2 | 0.8° | 0.5° |
| C7 | C1 | C6 | C5 | 166.5° | 162.8° |
| C7 | C1 | C6 | H61 | 41.2° | 76.9° |
| C7 | C1 | C6 | H62 | 68.3° | 42.7° |
| C1 | C7 | O4 | O5 | 179.5° | 180.0° |
| C1 | C7 | O5 | HO5 | 180.0° | 180.0° |
| C2 | C3 | C4 | O1 | 122.9° | 120.0° |
| C2 | C3 | C4 | H3 | 118.4° | 120.3° |
| C2 | C3 | O1 | H3 | 118.8° | 119.7° |
| C2 | C3 | C4 | C5 | 55.1° | 49.4° |
| C2 | C3 | C4 | O2 | 177.7° | 169.7° |
| C2 | C3 | C4 | H4 | 62.8° | 70.0° |
| C2 | C3 | O1 | P1 | 97.6° | 120.0° |
| H2 | C2 | C3 | C4 | 159.5° | 162.9° |
| H2 | C2 | C3 | O1 | 75.2° | 77.2° |
| H2 | C2 | C3 | H3 | 43.9° | 42.6° |
| C4 | C3 | O1 | H3 | 115.7° | 119.7° |
| C3 | C4 | C5 | O2 | 116.4° | 120.0° |
| C3 | C4 | C5 | H4 | 123.9° | 119.5° |
| C3 | C4 | O2 | H4 | 123.8° | 120.4° |
| C3 | C4 | C5 | C6 | 66.1° | 67.8° |
| C3 | C4 | C5 | O3 | 176.4° | 172.4° |
| C3 | C4 | C5 | H5 | 56.5° | 52.1° |
| C4 | C3 | O1 | P1 | 136.8° | 119.4° |
| C3 | C4 | O2 | HO2 | 180.0° | 60.0° |
| O1 | C3 | C4 | C5 | 67.8° | 70.6° |
| O1 | C3 | C4 | O2 | 54.8° | 49.6° |
| O1 | C3 | C4 | H4 | 174.3° | 170.0° |
| C3 | O1 | P1 | O6 | 65.0° | 55.0° |
| C3 | O1 | P1 | O7 | 55.4° | 65.0° |
| C3 | O1 | P1 | O8 | 177.8° | 175.0° |
| H3 | C3 | C4 | C5 | 173.5° | 169.7° |
| H3 | C3 | C4 | O2 | 63.9° | 70.1° |
| H3 | C3 | C4 | H4 | 55.6° | 50.3° |
| H3 | C3 | O1 | P1 | 21.2° | 0.3° |
| C5 | C4 | O2 | H4 | 118.0° | 120.3° |
| C4 | C5 | C6 | O3 | 118.4° | 119.8° |
| C4 | C5 | C6 | H5 | 121.7° | 119.9° |
| C4 | C5 | O3 | H5 | 122.0° | 120.3° |
| C4 | C5 | C6 | H61 | 172.7° | 70.6° |
| C4 | C5 | C6 | H62 | 77.7° | 169.9° |
| C5 | C4 | O2 | HO2 | 61.9° | 179.3° |
| C4 | C5 | O3 | C8 | 116.5° | 140.2° |
| O2 | C4 | C5 | C6 | 177.5° | 172.2° |
| O2 | C4 | C5 | O3 | 60.1° | 52.4° |
| O2 | C4 | C5 | H5 | 59.9° | 67.9° |
| H4 | C4 | C5 | C6 | 57.8° | 51.8° |
| H4 | C4 | C5 | O3 | 59.6° | 68.0° |
| H4 | C4 | C5 | H5 | 179.6° | 171.7° |
| H4 | C4 | O2 | HO2 | 56.2° | 60.4° |
| C6 | C5 | O3 | H5 | 122.8° | 120.4° |
| C5 | C6 | H61 | H62 | 115.7° | 119.6° |
| C6 | C5 | O3 | C8 | 128.3° | 100.6° |
| O3 | C5 | C6 | H61 | 68.8° | 49.2° |
| O3 | C5 | C6 | H62 | 40.7° | 70.4° |
| C5 | O3 | C8 | C9 | 48.3° | 53.8° |
| C5 | O3 | C8 | C10 | 177.7° | 66.2° |
| C5 | O3 | C8 | P2 | 61.5° | 173.8° |
| H5 | C5 | C6 | H61 | 51.1° | 169.6° |
| H5 | C5 | C6 | H62 | 160.6° | 50.0° |
| H5 | C5 | O3 | C8 | 5.5° | 19.9° |
| O4 | C7 | O5 | HO5 | 0.5° | 0.0° |
| O1 | P1 | O6 | O7 | 113.7° | 120.0° |
| O1 | P1 | O6 | O8 | 107.8° | 120.0° |
| O1 | P1 | O7 | O8 | 109.4° | 120.0° |
| O1 | P1 | O7 | HO7 | 180.0° | 60.0° |
| O1 | P1 | O8 | HO8 | 180.0° | 180.0° |
| O3 | C8 | C9 | C10 | 127.4° | 120.0° |
| O3 | C8 | C9 | P2 | 113.9° | 120.0° |
| O3 | C8 | C10 | P2 | 117.0° | 120.0° |
| O3 | C8 | C9 | H91 | 180.0° | 53.1° |
| O3 | C8 | C9 | H92 | 54.7° | 173.1° |
| O3 | C8 | C9 | H93 | 54.8° | 67.0° |
| O3 | C8 | C10 | O9 | 36.4° | 0.0° |
| O3 | C8 | C10 | O10 | 136.4° | 180.0° |
| O3 | C8 | P2 | O11 | 160.1° | 178.7° |
| O3 | C8 | P2 | O12 | 43.3° | 58.6° |
| O3 | C8 | P2 | O13 | 81.6° | 61.4° |
| O6 | P1 | O7 | O8 | 136.2° | 120.0° |
| O6 | P1 | O7 | HO7 | 65.6° | 180.0° |
| O6 | P1 | O8 | HO8 | 68.6° | 60.1° |
| O7 | P1 | O8 | HO8 | 68.0° | 60.0° |
| O8 | P1 | O7 | HO7 | 70.6° | 60.0° |
| C9 | C8 | C10 | P2 | 110.7° | 120.0° |
| C8 | C9 | H91 | H92 | 125.4° | 120.0° |
| C8 | C9 | H91 | H93 | 125.3° | 120.0° |
| C8 | C9 | H92 | H93 | 115.0° | 120.0° |
| C9 | C8 | C10 | O9 | 168.7° | 120.0° |
| C9 | C8 | C10 | O10 | 4.2° | 59.9° |
| C9 | C8 | P2 | O11 | 77.3° | 61.3° |
| C9 | C8 | P2 | O12 | 165.9° | 178.6° |
| C9 | C8 | P2 | O13 | 41.0° | 58.6° |
| C10 | C8 | C9 | H91 | 52.6° | 173.1° |
| C10 | C8 | C9 | H92 | 72.7° | 66.9° |
| C10 | C8 | C9 | H93 | 177.8° | 53.0° |
| C8 | C10 | O9 | O10 | 171.8° | 180.0° |
| C8 | C10 | O10 | H10 | 180.0° | 180.0° |
| C10 | C8 | P2 | O11 | 41.8° | 58.6° |
| C10 | C8 | P2 | O12 | 75.0° | 61.4° |
| C10 | C8 | P2 | O13 | 160.1° | 178.6° |
| P2 | C8 | C9 | H91 | 66.1° | 66.9° |
| P2 | C8 | C9 | H92 | 168.6° | 53.1° |
| P2 | C8 | C9 | H93 | 59.1° | 173.0° |
| P2 | C8 | C10 | O9 | 80.6° | 120.0° |
| P2 | C8 | C10 | O10 | 106.6° | 60.0° |
| C8 | P2 | O11 | O12 | 116.5° | 120.0° |
| C8 | P2 | O11 | O13 | 118.5° | 119.9° |
| C8 | P2 | O12 | O13 | 122.2° | 120.0° |
| C8 | P2 | O11 | H11 | 179.9° | 180.0° |
| C8 | P2 | O13 | H13 | 180.0° | 60.0° |
| H91 | C9 | H92 | H93 | 114.8° | 120.0° |
| O9 | C10 | O10 | H10 | 7.6° | 0.1° |
| O11 | P2 | O12 | O13 | 122.2° | 120.0° |
| O11 | P2 | O13 | H13 | 63.2° | 59.9° |
| O12 | P2 | O11 | H11 | 63.6° | 60.0° |
| O12 | P2 | O13 | H13 | 58.6° | 180.0° |
| O13 | P2 | O11 | H11 | 61.4° | 60.0° |
