P8D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| C2 | P3 | sing | 1.82Å | 1.83Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| P3 | C4 | sing | 1.82Å | 1.81Å | |
| P3 | O31 | doub | 1.48Å | 1.49Å | |
| P3 | O32 | sing | 1.61Å | 1.59Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.51Å | 1.55Å | |
| C5 | C7 | sing | 1.53Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O61 | sing | 1.34Å | 1.23Å | |
| C6 | O62 | doub | 1.21Å | 1.25Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | O81 | sing | 1.34Å | 1.25Å | |
| C8 | O82 | doub | 1.21Å | 1.25Å | |
| O32 | H12 | sing | 0.97Å | 0.95Å | |
| O61 | H13 | sing | 0.97Å | 0.95Å | |
| O81 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.4° |
| C1 | C2 | N1 | 109.3° | 109.5° |
| C1 | C2 | P3 | 113.9° | 109.4° |
| C1 | C2 | H2 | 105.4° | 109.6° |
| H1 | C1 | H1A | 109.4° | 109.5° |
| H1 | C1 | H1B | 109.4° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| C2 | N1 | HN1 | 109.5° | 111.0° |
| C2 | N1 | HN1A | 109.5° | 111.0° |
| N1 | C2 | P3 | 105.7° | 109.4° |
| N1 | C2 | H2 | 113.6° | 109.5° |
| HN1 | N1 | HN1A | 109.5° | 111.0° |
| P3 | C2 | H2 | 109.1° | 109.4° |
| C2 | P3 | C4 | 108.3° | 109.5° |
| C2 | P3 | O31 | 111.7° | 109.5° |
| C2 | P3 | O32 | 109.0° | 109.5° |
| C4 | P3 | O31 | 108.3° | 109.5° |
| C4 | P3 | O32 | 109.5° | 109.5° |
| P3 | C4 | C5 | 118.7° | 109.5° |
| P3 | C4 | H4 | 106.5° | 109.5° |
| P3 | C4 | H4A | 106.5° | 109.5° |
| O31 | P3 | O32 | 110.0° | 109.5° |
| P3 | O32 | H12 | 109.5° | 114.0° |
| C5 | C4 | H4 | 106.5° | 109.4° |
| C5 | C4 | H4A | 106.5° | 109.5° |
| C4 | C5 | C6 | 112.0° | 109.5° |
| C4 | C5 | C7 | 109.1° | 109.5° |
| C4 | C5 | H5 | 110.6° | 109.5° |
| H4 | C4 | H4A | 112.3° | 109.4° |
| C6 | C5 | C7 | 116.2° | 109.5° |
| C6 | C5 | H5 | 102.7° | 109.4° |
| C5 | C6 | O61 | 117.5° | 120.0° |
| C5 | C6 | O62 | 118.8° | 120.0° |
| C7 | C5 | H5 | 105.9° | 109.5° |
| C5 | C7 | C8 | 119.9° | 109.5° |
| C5 | C7 | H7 | 106.1° | 109.4° |
| C5 | C7 | H7A | 106.1° | 109.4° |
| O61 | C6 | O62 | 123.6° | 120.0° |
| C6 | O61 | H13 | 109.5° | 117.0° |
| C8 | C7 | H7 | 106.2° | 109.5° |
| C8 | C7 | H7A | 106.2° | 109.5° |
| C7 | C8 | O81 | 118.2° | 120.0° |
| C7 | C8 | O82 | 116.0° | 120.0° |
| H7 | C7 | H7A | 112.6° | 109.5° |
| O81 | C8 | O82 | 125.7° | 120.0° |
| C8 | O81 | H16 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 119.9° |
| C2 | C1 | H1A | H1B | 120.0° | 119.9° |
| C1 | C2 | N1 | P3 | 123.0° | 119.9° |
| C1 | C2 | N1 | H2 | 117.5° | 120.1° |
| C1 | C2 | N1 | HN1 | 180.0° | 176.1° |
| C1 | C2 | N1 | HN1A | 60.0° | 60.0° |
| C1 | C2 | P3 | H2 | 117.5° | 120.0° |
| C1 | C2 | P3 | C4 | 70.3° | 180.0° |
| C1 | C2 | P3 | O31 | 170.5° | 60.0° |
| C1 | C2 | P3 | O32 | 48.8° | 60.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | N1 | 180.0° | 59.9° |
| H1 | C1 | C2 | P3 | 62.0° | 60.0° |
| H1 | C1 | C2 | H2 | 57.5° | 180.0° |
| H1A | C1 | C2 | N1 | 60.0° | 180.0° |
| H1A | C1 | C2 | P3 | 178.0° | 60.0° |
| H1A | C1 | C2 | H2 | 62.4° | 59.9° |
| H1B | C1 | C2 | N1 | 60.0° | 60.1° |
| H1B | C1 | C2 | P3 | 58.0° | 180.0° |
| H1B | C1 | C2 | H2 | 177.5° | 60.0° |
| C2 | N1 | HN1 | HN1A | 120.0° | 124.0° |
| N1 | C2 | P3 | H2 | 122.5° | 120.0° |
| N1 | C2 | P3 | C4 | 169.6° | 60.0° |
| N1 | C2 | P3 | O31 | 50.5° | 60.0° |
| N1 | C2 | P3 | O32 | 71.2° | 180.0° |
| HN1 | N1 | C2 | P3 | 57.0° | 64.0° |
| HN1 | N1 | C2 | H2 | 62.5° | 55.9° |
| HN1A | N1 | C2 | P3 | 63.0° | 60.0° |
| HN1A | N1 | C2 | H2 | 177.5° | 179.9° |
| C2 | P3 | C4 | O31 | 121.3° | 120.0° |
| C2 | P3 | C4 | O32 | 118.8° | 120.0° |
| C2 | P3 | O31 | O32 | 121.2° | 120.0° |
| C2 | P3 | C4 | C5 | 125.2° | 175.0° |
| C2 | P3 | C4 | H4 | 114.8° | 55.0° |
| C2 | P3 | C4 | H4A | 5.2° | 65.0° |
| C2 | P3 | O32 | H12 | 122.8° | 59.9° |
| H2 | C2 | P3 | C4 | 47.1° | 60.0° |
| H2 | C2 | P3 | O31 | 72.0° | 180.0° |
| H2 | C2 | P3 | O32 | 166.2° | 60.0° |
| C4 | P3 | O31 | O32 | 119.6° | 120.0° |
| P3 | C4 | C5 | H4 | 120.0° | 120.0° |
| P3 | C4 | C5 | H4A | 120.0° | 120.1° |
| P3 | C4 | H4 | H4A | 116.2° | 120.1° |
| P3 | C4 | C5 | C6 | 53.6° | 74.9° |
| P3 | C4 | C5 | C7 | 176.4° | 165.0° |
| P3 | C4 | C5 | H5 | 60.3° | 45.0° |
| C4 | P3 | O32 | H12 | 118.9° | 60.1° |
| O31 | P3 | C4 | C5 | 113.5° | 55.0° |
| O31 | P3 | C4 | H4 | 6.5° | 65.0° |
| O31 | P3 | C4 | H4A | 126.5° | 175.0° |
| O31 | P3 | O32 | H12 | 0.0° | 179.9° |
| O32 | P3 | C4 | C5 | 6.4° | 65.0° |
| O32 | P3 | C4 | H4 | 126.4° | 175.0° |
| O32 | P3 | C4 | H4A | 113.6° | 55.0° |
| C5 | C4 | H4 | H4A | 116.2° | 119.9° |
| C4 | C5 | C6 | C7 | 126.3° | 120.1° |
| C4 | C5 | C6 | H5 | 118.7° | 119.9° |
| C4 | C5 | C7 | H5 | 119.1° | 120.0° |
| C4 | C5 | C6 | O61 | 170.5° | 180.0° |
| C4 | C5 | C6 | O62 | 8.1° | 0.1° |
| C4 | C5 | C7 | C8 | 69.7° | 175.0° |
| C4 | C5 | C7 | H7 | 170.2° | 65.0° |
| C4 | C5 | C7 | H7A | 50.3° | 55.0° |
| H4 | C4 | C5 | C6 | 66.4° | 45.1° |
| H4 | C4 | C5 | C7 | 63.6° | 75.0° |
| H4 | C4 | C5 | H5 | 179.7° | 165.0° |
| H4A | C4 | C5 | C6 | 173.6° | 165.0° |
| H4A | C4 | C5 | C7 | 56.4° | 44.9° |
| H4A | C4 | C5 | H5 | 59.7° | 75.1° |
| C6 | C5 | C7 | H5 | 113.2° | 119.9° |
| C5 | C6 | O61 | O62 | 178.6° | 179.9° |
| C6 | C5 | C7 | C8 | 162.6° | 65.0° |
| C6 | C5 | C7 | H7 | 42.5° | 55.1° |
| C6 | C5 | C7 | H7A | 77.4° | 175.0° |
| C5 | C6 | O61 | H13 | 178.6° | 180.0° |
| C7 | C5 | C6 | O61 | 63.2° | 59.9° |
| C7 | C5 | C6 | O62 | 118.1° | 120.0° |
| C5 | C7 | C8 | H7 | 120.0° | 120.0° |
| C5 | C7 | C8 | H7A | 120.0° | 120.0° |
| C5 | C7 | H7 | H7A | 115.7° | 119.9° |
| C5 | C7 | C8 | O81 | 45.9° | 180.0° |
| C5 | C7 | C8 | O82 | 134.0° | 0.0° |
| H5 | C5 | C6 | O61 | 51.8° | 60.1° |
| H5 | C5 | C6 | O62 | 126.8° | 120.0° |
| H5 | C5 | C7 | C8 | 49.4° | 54.9° |
| H5 | C5 | C7 | H7 | 70.7° | 175.0° |
| H5 | C5 | C7 | H7A | 169.4° | 65.1° |
| O62 | C6 | O61 | H13 | 0.0° | 0.1° |
| C8 | C7 | H7 | H7A | 115.7° | 120.0° |
| C7 | C8 | O81 | O82 | 179.9° | 179.9° |
| C7 | C8 | O81 | H16 | 179.9° | 180.0° |
| H7 | C7 | C8 | O81 | 74.1° | 60.0° |
| H7 | C7 | C8 | O82 | 106.0° | 120.0° |
| H7A | C7 | C8 | O81 | 165.9° | 60.1° |
| H7A | C7 | C8 | O82 | 14.0° | 120.0° |
| O82 | C8 | O81 | H16 | 0.0° | 0.1° |
