CAP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.58Å | |
| C2 | C | sing | 1.51Å | 1.57Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C4 | H4 | sing | 1.09Å | 1.08Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C | O6 | doub | 1.21Å | 1.23Å | |
| C | O7 | sing | 1.34Å | 1.24Å | |
| O1 | P1 | sing | 1.61Å | 1.60Å | |
| O2 | HO2 | sing | 0.97Å | 0.96Å | |
| O3 | HO3 | sing | 0.97Å | 0.96Å | |
| O4 | HO4 | sing | 0.97Å | 0.96Å | |
| O5 | P2 | sing | 1.61Å | 1.62Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| P1 | O1P | doub | 1.48Å | 1.48Å | |
| P1 | O2P | sing | 1.61Å | 1.47Å | |
| P1 | O3P | sing | 1.61Å | 1.59Å | |
| P2 | O4P | doub | 1.48Å | 1.48Å | |
| P2 | O5P | sing | 1.61Å | 1.48Å | |
| P2 | O6P | sing | 1.61Å | 1.60Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| O5P | HOP5 | sing | 0.97Å | 0.95Å | |
| O6P | HOP6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 111.0° | 109.5° |
| C2 | C1 | H11 | 111.7° | 109.4° |
| C2 | C1 | H12 | 111.7° | 109.5° |
| C1 | C2 | C3 | 109.3° | 109.5° |
| C1 | C2 | C | 112.2° | 109.4° |
| C1 | C2 | O2 | 102.0° | 109.4° |
| O1 | C1 | H11 | 111.6° | 109.5° |
| O1 | C1 | H12 | 111.6° | 109.5° |
| C1 | O1 | P1 | 116.4° | 106.9° |
| H11 | C1 | H12 | 98.7° | 109.5° |
| C3 | C2 | C | 112.2° | 109.5° |
| C3 | C2 | O2 | 110.0° | 109.5° |
| C2 | C3 | C4 | 116.9° | 109.5° |
| C2 | C3 | O3 | 112.1° | 109.5° |
| C2 | C3 | H3 | 106.5° | 109.5° |
| C | C2 | O2 | 110.6° | 109.5° |
| C2 | C | O6 | 121.0° | 120.1° |
| C2 | C | O7 | 119.8° | 120.0° |
| C2 | O2 | HO2 | 110.1° | 106.8° |
| C4 | C3 | O3 | 107.3° | 109.5° |
| C4 | C3 | H3 | 106.3° | 109.5° |
| C3 | C4 | C5 | 115.6° | 109.6° |
| C3 | C4 | O4 | 105.8° | 109.5° |
| C3 | C4 | H4 | 109.3° | 109.5° |
| O3 | C3 | H3 | 107.1° | 109.4° |
| C3 | O3 | HO3 | 109.9° | 106.8° |
| C5 | C4 | O4 | 107.5° | 109.5° |
| C5 | C4 | H4 | 109.1° | 109.4° |
| C4 | C5 | O5 | 109.8° | 109.6° |
| C4 | C5 | H51 | 112.1° | 109.5° |
| C4 | C5 | H52 | 112.1° | 109.5° |
| O4 | C4 | H4 | 109.3° | 109.4° |
| C4 | O4 | HO4 | 109.8° | 106.7° |
| O5 | C5 | H51 | 112.1° | 109.5° |
| O5 | C5 | H52 | 112.0° | 109.4° |
| C5 | O5 | P2 | 120.3° | 106.9° |
| H51 | C5 | H52 | 98.4° | 109.4° |
| O6 | C | O7 | 119.1° | 120.0° |
| C | O7 | HO7 | 119.8° | 120.0° |
| O1 | P1 | O1P | 105.7° | 109.5° |
| O1 | P1 | O2P | 107.9° | 109.5° |
| O1 | P1 | O3P | 102.1° | 109.5° |
| O5 | P2 | O4P | 107.9° | 109.4° |
| O5 | P2 | O5P | 106.5° | 109.5° |
| O5 | P2 | O6P | 101.1° | 109.5° |
| O1P | P1 | O2P | 119.3° | 109.5° |
| O1P | P1 | O3P | 110.9° | 109.4° |
| O2P | P1 | O3P | 109.4° | 109.5° |
| P1 | O2P | HOP2 | 107.9° | 106.8° |
| P1 | O3P | HOP3 | 102.0° | 106.8° |
| O4P | P2 | O5P | 119.4° | 109.5° |
| O4P | P2 | O6P | 109.8° | 109.5° |
| O5P | P2 | O6P | 110.6° | 109.4° |
| P2 | O5P | HOP5 | 106.5° | 106.9° |
| P2 | O6P | HOP6 | 101.0° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | H11 | 125.3° | 120.0° |
| C2 | C1 | O1 | H12 | 125.3° | 120.0° |
| C2 | C1 | H11 | H12 | 117.6° | 120.0° |
| C1 | C2 | C3 | C | 125.1° | 120.0° |
| C1 | C2 | C3 | O2 | 111.3° | 120.0° |
| C1 | C2 | C | O2 | 113.2° | 119.9° |
| C1 | C2 | C3 | C4 | 68.6° | 174.1° |
| C1 | C2 | C3 | O3 | 166.9° | 54.1° |
| C1 | C2 | C3 | H3 | 50.0° | 65.8° |
| C1 | C2 | C | O6 | 27.3° | 120.0° |
| C1 | C2 | C | O7 | 150.6° | 60.1° |
| C2 | C1 | O1 | P1 | 177.6° | 180.0° |
| C1 | C2 | O2 | HO2 | 111.7° | 64.9° |
| O1 | C1 | H11 | H12 | 117.5° | 120.0° |
| O1 | C1 | C2 | C3 | 168.6° | 180.0° |
| O1 | C1 | C2 | C | 66.3° | 60.0° |
| O1 | C1 | C2 | O2 | 52.1° | 60.0° |
| C1 | O1 | P1 | O1P | 65.6° | 60.0° |
| C1 | O1 | P1 | O2P | 63.1° | 180.0° |
| C1 | O1 | P1 | O3P | 178.4° | 60.0° |
| H11 | C1 | C2 | C3 | 66.2° | 60.0° |
| H11 | C1 | C2 | C | 59.0° | 60.0° |
| H11 | C1 | C2 | O2 | 177.3° | 180.0° |
| H11 | C1 | O1 | P1 | 52.2° | 60.0° |
| H12 | C1 | C2 | C3 | 43.3° | 60.0° |
| H12 | C1 | C2 | C | 168.4° | 180.0° |
| H12 | C1 | C2 | O2 | 73.2° | 60.0° |
| H12 | C1 | O1 | P1 | 57.2° | 60.0° |
| C3 | C2 | C | O2 | 123.2° | 120.0° |
| C2 | C3 | C4 | O3 | 126.9° | 120.0° |
| C2 | C3 | C4 | H3 | 118.8° | 120.0° |
| C2 | C3 | O3 | H3 | 116.6° | 120.0° |
| C2 | C3 | C4 | C5 | 144.8° | 174.3° |
| C2 | C3 | C4 | O4 | 96.4° | 65.6° |
| C2 | C3 | C4 | H4 | 21.2° | 54.4° |
| C3 | C2 | C | O6 | 96.2° | 119.9° |
| C3 | C2 | C | O7 | 85.9° | 60.0° |
| C3 | C2 | O2 | HO2 | 132.3° | 55.2° |
| C2 | C3 | O3 | HO3 | 64.7° | 60.1° |
| C | C2 | C3 | C4 | 56.5° | 65.9° |
| C | C2 | C3 | O3 | 67.9° | 174.1° |
| C | C2 | C3 | H3 | 175.1° | 54.2° |
| C2 | C | O6 | O7 | 177.9° | 179.9° |
| C | C2 | O2 | HO2 | 7.8° | 175.2° |
| C2 | C | O7 | HO7 | 180.0° | 180.0° |
| O2 | C2 | C3 | C4 | 180.0° | 54.1° |
| O2 | C2 | C3 | O3 | 55.6° | 65.9° |
| O2 | C2 | C3 | H3 | 61.3° | 174.2° |
| O2 | C2 | C | O6 | 140.5° | 0.1° |
| O2 | C2 | C | O7 | 37.4° | 180.0° |
| C4 | C3 | O3 | H3 | 113.8° | 119.9° |
| C3 | C4 | C5 | O4 | 117.9° | 120.1° |
| C3 | C4 | C5 | H4 | 123.7° | 120.0° |
| C3 | C4 | O4 | H4 | 117.6° | 120.0° |
| C3 | C4 | C5 | O5 | 170.9° | 180.0° |
| C3 | C4 | C5 | H51 | 63.9° | 59.9° |
| C3 | C4 | C5 | H52 | 45.6° | 60.0° |
| C4 | C3 | O3 | HO3 | 64.9° | 60.0° |
| C3 | C4 | O4 | HO4 | 52.7° | 60.1° |
| O3 | C3 | C4 | C5 | 18.0° | 54.3° |
| O3 | C3 | C4 | O4 | 136.8° | 174.4° |
| O3 | C3 | C4 | H4 | 105.6° | 65.7° |
| H3 | C3 | C4 | C5 | 96.4° | 65.6° |
| H3 | C3 | C4 | O4 | 22.4° | 54.4° |
| H3 | C3 | C4 | H4 | 140.0° | 174.4° |
| H3 | C3 | O3 | HO3 | 178.7° | 180.0° |
| C5 | C4 | O4 | H4 | 118.3° | 119.9° |
| C4 | C5 | O5 | H51 | 125.2° | 120.1° |
| C4 | C5 | O5 | H52 | 125.3° | 120.1° |
| C4 | C5 | H51 | H52 | 118.1° | 120.0° |
| C5 | C4 | O4 | HO4 | 71.4° | 60.1° |
| C4 | C5 | O5 | P2 | 114.7° | 180.0° |
| O4 | C4 | C5 | O5 | 53.0° | 59.9° |
| O4 | C4 | C5 | H51 | 178.2° | 180.0° |
| O4 | C4 | C5 | H52 | 72.2° | 60.1° |
| H4 | C4 | C5 | O5 | 65.5° | 60.0° |
| H4 | C4 | C5 | H51 | 59.8° | 60.1° |
| H4 | C4 | C5 | H52 | 169.3° | 180.0° |
| H4 | C4 | O4 | HO4 | 170.3° | 180.0° |
| O5 | C5 | H51 | H52 | 118.0° | 119.9° |
| C5 | O5 | P2 | O4P | 46.1° | 60.0° |
| C5 | O5 | P2 | O5P | 175.4° | 180.0° |
| C5 | O5 | P2 | O6P | 69.1° | 60.0° |
| H51 | C5 | O5 | P2 | 120.0° | 59.9° |
| H52 | C5 | O5 | P2 | 10.5° | 59.9° |
| O6 | C | O7 | HO7 | 2.0° | 0.1° |
| O1 | P1 | O1P | O2P | 121.7° | 120.1° |
| O1 | P1 | O1P | O3P | 109.9° | 119.9° |
| O1 | P1 | O2P | O3P | 110.3° | 120.0° |
| O1 | P1 | O2P | HOP2 | 179.9° | 180.0° |
| O1 | P1 | O3P | HOP3 | 180.0° | 60.1° |
| O5 | P2 | O4P | O5P | 121.6° | 120.0° |
| O5 | P2 | O4P | O6P | 109.3° | 120.0° |
| O5 | P2 | O5P | O6P | 109.0° | 120.0° |
| O5 | P2 | O5P | HOP5 | 180.0° | 180.0° |
| O5 | P2 | O6P | HOP6 | 180.0° | 60.0° |
| O1P | P1 | O2P | O3P | 129.1° | 120.0° |
| O1P | P1 | O2P | HOP2 | 59.4° | 60.0° |
| O1P | P1 | O3P | HOP3 | 67.8° | 180.0° |
| O2P | P1 | O3P | HOP3 | 65.9° | 60.0° |
| O3P | P1 | O2P | HOP2 | 69.8° | 60.0° |
| O4P | P2 | O5P | O6P | 128.7° | 120.0° |
| O4P | P2 | O5P | HOP5 | 57.7° | 60.0° |
| O4P | P2 | O6P | HOP6 | 66.3° | 180.0° |
| O5P | P2 | O6P | HOP6 | 67.5° | 60.0° |
| O6P | P2 | O5P | HOP5 | 71.1° | 60.0° |
