RTK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | P5 | doub | 1.48Å | 1.50Å | |
| P5 | O4 | sing | 1.61Å | 1.52Å | |
| P5 | C6 | sing | 1.82Å | 1.81Å | |
| P5 | H5 | sing | 1.42Å | 1.42Å | |
| C6 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | N1 | sing | 1.47Å | 1.49Å | |
| N1 | C28 | sing | 1.47Å | 1.48Å | |
| N1 | C9 | sing | 1.47Å | 1.48Å | |
| N1 | C8 | sing | 1.47Å | 1.48Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C9 | H93C | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C8 | H83C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | P5 | O4 | 112.6° | 109.5° |
| O7 | P5 | C6 | 107.8° | 109.5° |
| O7 | P5 | H5 | 109.0° | 109.5° |
| O4 | P5 | C6 | 112.7° | 109.5° |
| O4 | P5 | H5 | 108.8° | 109.5° |
| P5 | O4 | H4 | 109.5° | 114.0° |
| C6 | P5 | H5 | 105.7° | 109.5° |
| P5 | C6 | C3 | 111.9° | 109.5° |
| P5 | C6 | H61C | 108.8° | 109.4° |
| P5 | C6 | H62C | 108.9° | 109.4° |
| C6 | C3 | C2 | 110.2° | 109.5° |
| C3 | C6 | H61C | 108.9° | 109.5° |
| C3 | C6 | H62C | 108.9° | 109.5° |
| C6 | C3 | H31C | 109.3° | 109.4° |
| C6 | C3 | H32C | 109.3° | 109.5° |
| C3 | C2 | N1 | 115.2° | 109.4° |
| C2 | C3 | H31C | 109.3° | 109.5° |
| C2 | C3 | H32C | 109.3° | 109.5° |
| C3 | C2 | H21C | 108.0° | 109.5° |
| C3 | C2 | H22C | 108.0° | 109.5° |
| C2 | N1 | C28 | 112.9° | 109.5° |
| C2 | N1 | C9 | 112.1° | 109.4° |
| C2 | N1 | C8 | 104.8° | 109.5° |
| N1 | C2 | H21C | 108.0° | 109.5° |
| N1 | C2 | H22C | 108.0° | 109.5° |
| C28 | N1 | C9 | 109.4° | 109.5° |
| C28 | N1 | C8 | 108.3° | 109.5° |
| N1 | C28 | H281 | 109.5° | 109.5° |
| N1 | C28 | H282 | 109.5° | 109.5° |
| N1 | C28 | H283 | 109.5° | 109.4° |
| C9 | N1 | C8 | 109.2° | 109.5° |
| N1 | C9 | H91C | 109.5° | 109.5° |
| N1 | C9 | H92C | 109.5° | 109.4° |
| N1 | C9 | H93C | 109.5° | 109.5° |
| N1 | C8 | H81C | 109.5° | 109.4° |
| N1 | C8 | H82C | 109.5° | 109.4° |
| N1 | C8 | H83C | 109.5° | 109.5° |
| H61C | C6 | H62C | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.4° |
| H282 | C28 | H283 | 109.4° | 109.5° |
| H91C | C9 | H92C | 109.4° | 109.5° |
| H91C | C9 | H93C | 109.5° | 109.5° |
| H92C | C9 | H93C | 109.5° | 109.5° |
| H81C | C8 | H82C | 109.5° | 109.5° |
| H81C | C8 | H83C | 109.5° | 109.5° |
| H82C | C8 | H83C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | P5 | O4 | C6 | 122.1° | 120.0° |
| O7 | P5 | O4 | H5 | 121.0° | 120.0° |
| O7 | P5 | C6 | H5 | 116.5° | 120.0° |
| O7 | P5 | C6 | C3 | 174.0° | 60.0° |
| O7 | P5 | O4 | H4 | 0.0° | 60.0° |
| O7 | P5 | C6 | H61C | 65.6° | 60.0° |
| O7 | P5 | C6 | H62C | 53.7° | 180.0° |
| O4 | P5 | C6 | H5 | 118.7° | 120.0° |
| O4 | P5 | C6 | C3 | 49.3° | 180.0° |
| O4 | P5 | C6 | H61C | 169.6° | 60.0° |
| O4 | P5 | C6 | H62C | 71.1° | 60.0° |
| P5 | C6 | C3 | H61C | 120.4° | 120.0° |
| P5 | C6 | C3 | H62C | 120.4° | 120.0° |
| P5 | C6 | C3 | C2 | 70.0° | 180.0° |
| C6 | P5 | O4 | H4 | 122.1° | 180.0° |
| P5 | C6 | H61C | H62C | 118.9° | 119.9° |
| P5 | C6 | C3 | H31C | 169.9° | 60.0° |
| P5 | C6 | C3 | H32C | 50.1° | 60.0° |
| H5 | P5 | C6 | C3 | 69.5° | 60.0° |
| H5 | P5 | O4 | H4 | 121.0° | 60.0° |
| H5 | P5 | C6 | H61C | 50.9° | 180.0° |
| H5 | P5 | C6 | H62C | 170.1° | 60.0° |
| C6 | C3 | C2 | H31C | 120.1° | 120.0° |
| C6 | C3 | C2 | H32C | 120.1° | 120.0° |
| C6 | C3 | C2 | N1 | 173.1° | 180.0° |
| C3 | C6 | H61C | H62C | 118.9° | 120.1° |
| C6 | C3 | H31C | H32C | 119.7° | 120.0° |
| C6 | C3 | C2 | H21C | 66.1° | 60.0° |
| C6 | C3 | C2 | H22C | 52.2° | 60.0° |
| C3 | C2 | N1 | H21C | 120.8° | 120.0° |
| C3 | C2 | N1 | H22C | 120.8° | 120.0° |
| C3 | C2 | N1 | C28 | 64.6° | 60.0° |
| C3 | C2 | N1 | C9 | 59.4° | 180.0° |
| C3 | C2 | N1 | C8 | 177.7° | 60.0° |
| C2 | C3 | C6 | H61C | 50.4° | 60.0° |
| C2 | C3 | C6 | H62C | 169.7° | 60.0° |
| C2 | C3 | H31C | H32C | 119.7° | 120.0° |
| C3 | C2 | H21C | H22C | 117.4° | 120.0° |
| C2 | N1 | C28 | C9 | 125.5° | 120.0° |
| C2 | N1 | C28 | C8 | 115.6° | 120.0° |
| C2 | N1 | C9 | C8 | 115.7° | 120.0° |
| N1 | C2 | C3 | H31C | 52.9° | 60.0° |
| N1 | C2 | C3 | H32C | 66.8° | 60.0° |
| N1 | C2 | H21C | H22C | 117.4° | 120.0° |
| C2 | N1 | C28 | H281 | 180.0° | 59.9° |
| C2 | N1 | C28 | H282 | 60.0° | 180.0° |
| C2 | N1 | C28 | H283 | 60.0° | 60.0° |
| C2 | N1 | C9 | H91C | 180.0° | 60.0° |
| C2 | N1 | C9 | H92C | 60.0° | 180.0° |
| C2 | N1 | C9 | H93C | 60.0° | 60.0° |
| C2 | N1 | C8 | H81C | 180.0° | 60.0° |
| C2 | N1 | C8 | H82C | 60.0° | 180.0° |
| C2 | N1 | C8 | H83C | 60.0° | 60.0° |
| C28 | N1 | C9 | C8 | 118.3° | 120.0° |
| C28 | N1 | C2 | H21C | 56.2° | 60.0° |
| C28 | N1 | C2 | H22C | 174.5° | 180.0° |
| N1 | C28 | H281 | H282 | 120.0° | 120.0° |
| N1 | C28 | H281 | H283 | 120.0° | 119.9° |
| N1 | C28 | H282 | H283 | 120.0° | 120.0° |
| C28 | N1 | C9 | H91C | 54.0° | 180.0° |
| C28 | N1 | C9 | H92C | 174.0° | 60.0° |
| C28 | N1 | C9 | H93C | 66.0° | 60.0° |
| C28 | N1 | C8 | H81C | 59.3° | 60.0° |
| C28 | N1 | C8 | H82C | 60.7° | 59.9° |
| C28 | N1 | C8 | H83C | 179.3° | 180.0° |
| C9 | N1 | C2 | H21C | 179.7° | 60.0° |
| C9 | N1 | C2 | H22C | 61.4° | 60.0° |
| C9 | N1 | C28 | H281 | 54.4° | 60.0° |
| C9 | N1 | C28 | H282 | 65.6° | 60.0° |
| C9 | N1 | C28 | H283 | 174.5° | 180.0° |
| N1 | C9 | H91C | H92C | 120.0° | 119.9° |
| N1 | C9 | H91C | H93C | 120.0° | 120.0° |
| N1 | C9 | H92C | H93C | 120.0° | 120.0° |
| C9 | N1 | C8 | H81C | 59.7° | 179.9° |
| C9 | N1 | C8 | H82C | 179.7° | 60.1° |
| C9 | N1 | C8 | H83C | 60.3° | 60.0° |
| C8 | N1 | C2 | H21C | 61.4° | 180.0° |
| C8 | N1 | C2 | H22C | 56.9° | 60.0° |
| C8 | N1 | C28 | H281 | 64.4° | 180.0° |
| C8 | N1 | C28 | H282 | 175.6° | 60.0° |
| C8 | N1 | C28 | H283 | 55.6° | 60.0° |
| C8 | N1 | C9 | H91C | 64.3° | 59.9° |
| C8 | N1 | C9 | H92C | 55.7° | 60.0° |
| C8 | N1 | C9 | H93C | 175.7° | 180.0° |
| N1 | C8 | H81C | H82C | 120.0° | 119.9° |
| N1 | C8 | H81C | H83C | 120.0° | 120.0° |
| N1 | C8 | H82C | H83C | 120.0° | 120.0° |
| H61C | C6 | C3 | H31C | 69.7° | 180.0° |
| H61C | C6 | C3 | H32C | 170.5° | 60.0° |
| H62C | C6 | C3 | H31C | 49.6° | 60.0° |
| H62C | C6 | C3 | H32C | 70.2° | 180.0° |
| H31C | C3 | C2 | H21C | 173.8° | 180.0° |
| H31C | C3 | C2 | H22C | 67.9° | 60.0° |
| H32C | C3 | C2 | H21C | 54.0° | 60.0° |
| H32C | C3 | C2 | H22C | 172.3° | 180.0° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
| H91C | C9 | H92C | H93C | 120.0° | 120.0° |
| H81C | C8 | H82C | H83C | 120.0° | 120.0° |
