02F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP2 | sing | 1.61Å | 1.60Å | |
| P | OP1 | doub | 1.48Å | 1.72Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| O2 | C1 | sing | 1.43Å | 1.43Å | |
| O2 | C2 | sing | 1.43Å | 1.41Å | |
| C3 | C4 | sing | 1.53Å | 1.58Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | P | sing | 1.82Å | 1.78Å | |
| N6 | C5 | sing | 1.47Å | 1.48Å | |
| P | OP3 | sing | 1.61Å | 1.72Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N6 | HN6 | sing | 1.01Å | 1.00Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| N6 | H6 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP2 | P | OP1 | 114.7° | 109.5° |
| OP2 | P | C5 | 105.4° | 109.5° |
| OP2 | P | OP3 | 99.0° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| OP1 | P | C5 | 119.7° | 109.4° |
| OP1 | P | OP3 | 101.4° | 109.5° |
| C3 | C2 | O2 | 109.5° | 109.5° |
| C2 | C3 | C4 | 105.3° | 109.5° |
| C3 | C2 | H2 | 109.5° | 109.5° |
| C3 | C2 | H2A | 109.5° | 109.5° |
| C2 | C3 | H3 | 110.9° | 109.5° |
| C2 | C3 | H3A | 110.9° | 109.4° |
| C1 | O2 | C2 | 115.4° | 114.0° |
| O2 | C1 | H1 | 109.5° | 109.5° |
| O2 | C1 | H1A | 109.5° | 109.5° |
| O2 | C1 | H1B | 109.4° | 109.4° |
| O2 | C2 | H2 | 109.4° | 109.5° |
| O2 | C2 | H2A | 109.5° | 109.5° |
| C3 | C4 | C5 | 101.1° | 109.5° |
| C4 | C3 | H3 | 110.9° | 109.6° |
| C4 | C3 | H3A | 110.9° | 109.4° |
| C3 | C4 | H4 | 112.4° | 109.5° |
| C3 | C4 | H4A | 112.4° | 109.5° |
| C4 | C5 | P | 123.6° | 109.5° |
| C4 | C5 | N6 | 109.0° | 109.5° |
| C5 | C4 | H4 | 112.4° | 109.5° |
| C5 | C4 | H4A | 112.4° | 109.4° |
| C4 | C5 | H5 | 98.5° | 109.4° |
| P | C5 | N6 | 106.8° | 109.5° |
| C5 | P | OP3 | 115.0° | 109.5° |
| P | C5 | H5 | 101.3° | 109.5° |
| N6 | C5 | H5 | 118.2° | 109.5° |
| C5 | N6 | HN6 | 109.5° | 111.0° |
| C5 | N6 | H6 | 109.5° | 111.0° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| H1 | C1 | H1A | 109.4° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H2 | C2 | H2A | 109.5° | 109.4° |
| H3 | C3 | H3A | 108.0° | 109.5° |
| H4 | C4 | H4A | 106.4° | 109.4° |
| HN6 | N6 | H6 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP2 | P | OP1 | C5 | 126.8° | 120.0° |
| OP2 | P | OP1 | OP3 | 105.5° | 120.0° |
| OP2 | P | C5 | C4 | 37.4° | 65.0° |
| OP2 | P | C5 | OP3 | 107.8° | 120.0° |
| OP2 | P | C5 | N6 | 164.9° | 175.0° |
| OP2 | P | C5 | H5 | 70.8° | 55.0° |
| OP2 | P | OP3 | HOP3 | 117.6° | 59.9° |
| OP1 | P | C5 | C4 | 93.6° | 55.0° |
| OP1 | P | C5 | OP3 | 121.1° | 120.0° |
| OP1 | P | C5 | N6 | 33.9° | 65.0° |
| OP1 | P | C5 | H5 | 158.1° | 175.0° |
| OP1 | P | OP2 | HOP2 | 0.0° | 180.0° |
| OP1 | P | OP3 | HOP3 | 0.0° | 60.1° |
| C3 | C2 | O2 | C1 | 66.8° | 180.0° |
| C3 | C2 | O2 | H2 | 120.0° | 120.0° |
| C3 | C2 | O2 | H2A | 120.0° | 120.0° |
| C2 | C3 | C4 | H3 | 120.0° | 120.1° |
| C2 | C3 | C4 | H3A | 120.0° | 119.9° |
| C2 | C3 | C4 | C5 | 156.5° | 180.0° |
| C3 | C2 | H2 | H2A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3A | 121.7° | 119.9° |
| C2 | C3 | C4 | H4 | 83.5° | 59.9° |
| C2 | C3 | C4 | H4A | 36.5° | 60.1° |
| O2 | C1 | H1 | H1A | 120.0° | 120.0° |
| O2 | C1 | H1 | H1B | 120.0° | 119.9° |
| O2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | O2 | C2 | H2 | 173.1° | 60.0° |
| C1 | O2 | C2 | H2A | 53.2° | 60.0° |
| O2 | C2 | C3 | C4 | 94.7° | 180.0° |
| C2 | O2 | C1 | H1 | 180.0° | 60.0° |
| C2 | O2 | C1 | H1A | 60.0° | 180.0° |
| C2 | O2 | C1 | H1B | 60.0° | 60.0° |
| O2 | C2 | H2 | H2A | 120.0° | 120.0° |
| O2 | C2 | C3 | H3 | 145.3° | 59.9° |
| O2 | C2 | C3 | H3A | 25.3° | 60.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.1° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | C5 | P | 139.8° | 59.9° |
| C3 | C4 | C5 | N6 | 93.7° | 180.0° |
| C4 | C3 | C2 | H2 | 145.3° | 60.0° |
| C4 | C3 | C2 | H2A | 25.3° | 60.0° |
| C4 | C3 | H3 | H3A | 121.7° | 120.0° |
| C3 | C4 | H4 | H4A | 123.4° | 120.0° |
| C3 | C4 | C5 | H5 | 30.2° | 60.1° |
| C4 | C5 | P | N6 | 127.5° | 120.0° |
| C4 | C5 | P | H5 | 108.3° | 120.0° |
| C4 | C5 | N6 | H5 | 111.3° | 119.9° |
| C4 | C5 | P | OP3 | 145.3° | 175.0° |
| C5 | C4 | C3 | H3 | 36.5° | 59.9° |
| C5 | C4 | C3 | H3A | 83.4° | 60.1° |
| C5 | C4 | H4 | H4A | 123.4° | 119.9° |
| C4 | C5 | N6 | HN6 | 180.0° | 63.9° |
| C4 | C5 | N6 | H6 | 60.0° | 60.0° |
| P | C5 | N6 | H5 | 113.1° | 120.0° |
| P | C5 | C4 | H4 | 100.2° | 180.0° |
| P | C5 | C4 | H4A | 19.8° | 60.0° |
| P | C5 | N6 | HN6 | 44.4° | 176.0° |
| C5 | P | OP2 | HOP2 | 133.9° | 60.0° |
| C5 | P | OP3 | HOP3 | 130.7° | 179.9° |
| P | C5 | N6 | H6 | 164.4° | 60.0° |
| N6 | C5 | P | OP3 | 87.3° | 55.0° |
| N6 | C5 | C4 | H4 | 26.3° | 59.9° |
| N6 | C5 | C4 | H4A | 146.3° | 60.0° |
| C5 | N6 | HN6 | H6 | 120.0° | 124.0° |
| OP3 | P | C5 | H5 | 37.0° | 65.0° |
| OP3 | P | OP2 | HOP2 | 107.0° | 60.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H2 | C2 | C3 | H3 | 25.3° | 179.9° |
| H2 | C2 | C3 | H3A | 94.7° | 60.0° |
| H2A | C2 | C3 | H3 | 94.7° | 60.1° |
| H2A | C2 | C3 | H3A | 145.3° | 180.0° |
| H3 | C3 | C4 | H4 | 156.5° | 180.0° |
| H3 | C3 | C4 | H4A | 83.5° | 60.0° |
| H3A | C3 | C4 | H4 | 36.6° | 60.0° |
| H3A | C3 | C4 | H4A | 156.6° | 180.0° |
| H4 | C4 | C5 | H5 | 150.2° | 60.0° |
| H4A | C4 | C5 | H5 | 89.8° | 179.9° |
| H5 | C5 | N6 | HN6 | 68.7° | 56.0° |
| H5 | C5 | N6 | H6 | 51.3° | 180.0° |
