2PP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.56Å | |
| C1 | O1 | doub | 1.21Å | 1.31Å | |
| C1 | O2 | sing | 1.34Å | 1.33Å | |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| C2 | C1' | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C5 | H53 | sing | 1.09Å | 1.11Å | |
| C1' | C2' | sing | 1.53Å | 1.54Å | |
| C1' | H1'1 | sing | 1.09Å | 1.11Å | |
| C1' | H1'2 | sing | 1.09Å | 1.12Å | |
| C2' | C3' | sing | 1.53Å | 1.50Å | |
| C2' | H2'1 | sing | 1.09Å | 1.12Å | |
| C2' | H2'2 | sing | 1.09Å | 1.12Å | |
| C3' | H3'1 | sing | 1.09Å | 1.12Å | |
| C3' | H3'2 | sing | 1.09Å | 1.11Å | |
| C3' | H3'3 | sing | 1.09Å | 1.11Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 112.1° | 120.0° |
| C2 | C1 | O2 | 134.8° | 120.0° |
| C1 | C2 | C3 | 116.1° | 109.5° |
| C1 | C2 | C1' | 109.8° | 109.5° |
| C1 | C2 | H2 | 104.5° | 109.5° |
| O1 | C1 | O2 | 113.0° | 119.9° |
| C1 | O2 | HO2 | 134.8° | 120.1° |
| C3 | C2 | C1' | 109.3° | 109.5° |
| C3 | C2 | H2 | 105.0° | 109.4° |
| C2 | C3 | C4 | 120.6° | 109.5° |
| C2 | C3 | H31 | 108.2° | 109.5° |
| C2 | C3 | H32 | 108.2° | 109.4° |
| C1' | C2 | H2 | 112.0° | 109.4° |
| C2 | C1' | C2' | 106.8° | 109.5° |
| C2 | C1' | H1'1 | 113.2° | 109.5° |
| C2 | C1' | H1'2 | 113.2° | 109.4° |
| C4 | C3 | H31 | 108.2° | 109.5° |
| C4 | C3 | H32 | 108.2° | 109.5° |
| C3 | C4 | C5 | 110.7° | 109.5° |
| C3 | C4 | H41 | 111.8° | 109.5° |
| C3 | C4 | H42 | 111.8° | 109.4° |
| H31 | C3 | H32 | 101.8° | 109.4° |
| C5 | C4 | H41 | 111.8° | 109.5° |
| C5 | C4 | H42 | 111.8° | 109.4° |
| C4 | C5 | H51 | 110.6° | 109.5° |
| C4 | C5 | H52 | 111.7° | 109.4° |
| C4 | C5 | H53 | 111.8° | 109.5° |
| H41 | C4 | H42 | 98.6° | 109.5° |
| H51 | C5 | H52 | 111.8° | 109.5° |
| H51 | C5 | H53 | 111.8° | 109.5° |
| H52 | C5 | H53 | 98.7° | 109.4° |
| C2' | C1' | H1'1 | 113.3° | 109.6° |
| C2' | C1' | H1'2 | 113.2° | 109.5° |
| C1' | C2' | C3' | 114.0° | 109.5° |
| C1' | C2' | H2'1 | 110.5° | 109.5° |
| C1' | C2' | H2'2 | 110.6° | 109.5° |
| H1'1 | C1' | H1'2 | 97.3° | 109.5° |
| C3' | C2' | H2'1 | 110.6° | 109.5° |
| C3' | C2' | H2'2 | 110.6° | 109.4° |
| C2' | C3' | H3'1 | 113.9° | 109.5° |
| C2' | C3' | H3'2 | 110.5° | 109.5° |
| C2' | C3' | H3'3 | 110.5° | 109.4° |
| H2'1 | C2' | H2'2 | 99.6° | 109.5° |
| H3'1 | C3' | H3'2 | 110.6° | 109.5° |
| H3'1 | C3' | H3'3 | 110.6° | 109.5° |
| H3'2 | C3' | H3'3 | 99.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 176.4° | 180.0° |
| C1 | C2 | C3 | C1' | 124.8° | 120.1° |
| C1 | C2 | C3 | H2 | 114.8° | 120.0° |
| C1 | C2 | C1' | H2 | 115.6° | 120.1° |
| C1 | C2 | C3 | C4 | 28.0° | 59.9° |
| C1 | C2 | C3 | H31 | 97.2° | 180.0° |
| C1 | C2 | C3 | H32 | 153.3° | 60.1° |
| C1 | C2 | C1' | C2' | 40.7° | 60.0° |
| C1 | C2 | C1' | H1'1 | 166.0° | 179.9° |
| C1 | C2 | C1' | H1'2 | 84.5° | 60.0° |
| C2 | C1 | O2 | HO2 | 180.0° | 180.0° |
| O1 | C1 | C2 | C3 | 99.8° | 0.0° |
| O1 | C1 | C2 | C1' | 135.6° | 120.0° |
| O1 | C1 | C2 | H2 | 15.3° | 120.0° |
| O1 | C1 | O2 | HO2 | 4.7° | 0.0° |
| O2 | C1 | C2 | C3 | 75.5° | 180.0° |
| O2 | C1 | C2 | C1' | 49.0° | 60.0° |
| O2 | C1 | C2 | H2 | 169.3° | 60.1° |
| C3 | C2 | C1' | H2 | 116.0° | 119.9° |
| C2 | C3 | C4 | H31 | 125.3° | 120.1° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 113.9° | 119.9° |
| C2 | C3 | C4 | C5 | 153.4° | 180.0° |
| C2 | C3 | C4 | H41 | 28.1° | 60.0° |
| C2 | C3 | C4 | H42 | 81.3° | 60.1° |
| C3 | C2 | C1' | C2' | 169.1° | 180.0° |
| C3 | C2 | C1' | H1'1 | 65.6° | 59.9° |
| C3 | C2 | C1' | H1'2 | 43.9° | 60.1° |
| C1' | C2 | C3 | C4 | 152.8° | 180.0° |
| C1' | C2 | C3 | H31 | 27.6° | 59.9° |
| C1' | C2 | C3 | H32 | 81.9° | 60.0° |
| C2 | C1' | C2' | H1'1 | 125.3° | 120.1° |
| C2 | C1' | C2' | H1'2 | 125.2° | 119.9° |
| C2 | C1' | H1'1 | H1'2 | 119.1° | 119.9° |
| C2 | C1' | C2' | C3' | 102.3° | 179.9° |
| C2 | C1' | C2' | H2'1 | 132.4° | 59.9° |
| C2 | C1' | C2' | H2'2 | 23.0° | 60.1° |
| H2 | C2 | C3 | C4 | 86.8° | 60.1° |
| H2 | C2 | C3 | H31 | 148.0° | 60.0° |
| H2 | C2 | C3 | H32 | 38.4° | 180.0° |
| H2 | C2 | C1' | C2' | 74.9° | 60.1° |
| H2 | C2 | C1' | H1'1 | 50.4° | 60.0° |
| H2 | C2 | C1' | H1'2 | 159.9° | 180.0° |
| C4 | C3 | H31 | H32 | 113.8° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.3° | 119.9° |
| C3 | C4 | H41 | H42 | 117.7° | 120.0° |
| C3 | C4 | C5 | H51 | 180.0° | 180.0° |
| C3 | C4 | C5 | H52 | 54.8° | 60.0° |
| C3 | C4 | C5 | H53 | 54.7° | 59.9° |
| H31 | C3 | C4 | C5 | 81.3° | 59.9° |
| H31 | C3 | C4 | H41 | 153.4° | 179.9° |
| H31 | C3 | C4 | H42 | 43.9° | 60.0° |
| H32 | C3 | C4 | C5 | 28.1° | 60.0° |
| H32 | C3 | C4 | H41 | 97.1° | 60.0° |
| H32 | C3 | C4 | H42 | 153.4° | 180.0° |
| C5 | C4 | H41 | H42 | 117.6° | 119.9° |
| C4 | C5 | H51 | H52 | 125.2° | 120.0° |
| C4 | C5 | H51 | H53 | 125.2° | 120.1° |
| C4 | C5 | H52 | H53 | 117.7° | 120.0° |
| H41 | C4 | C5 | H51 | 54.7° | 60.0° |
| H41 | C4 | C5 | H52 | 179.9° | 60.0° |
| H41 | C4 | C5 | H53 | 70.6° | 179.9° |
| H42 | C4 | C5 | H51 | 54.7° | 60.0° |
| H42 | C4 | C5 | H52 | 70.5° | 180.0° |
| H42 | C4 | C5 | H53 | 180.0° | 60.0° |
| H51 | C5 | H52 | H53 | 117.7° | 120.0° |
| C2' | C1' | H1'1 | H1'2 | 119.2° | 120.0° |
| C1' | C2' | C3' | H2'1 | 125.3° | 120.0° |
| C1' | C2' | C3' | H2'2 | 125.3° | 120.0° |
| C1' | C2' | H2'1 | H2'2 | 116.4° | 120.0° |
| C1' | C2' | C3' | H3'1 | 180.0° | 180.0° |
| C1' | C2' | C3' | H3'2 | 54.8° | 59.9° |
| C1' | C2' | C3' | H3'3 | 54.7° | 60.0° |
| H1'1 | C1' | C2' | C3' | 23.0° | 60.0° |
| H1'1 | C1' | C2' | H2'1 | 102.3° | 180.0° |
| H1'1 | C1' | C2' | H2'2 | 148.3° | 60.0° |
| H1'2 | C1' | C2' | C3' | 132.5° | 60.1° |
| H1'2 | C1' | C2' | H2'1 | 7.2° | 59.9° |
| H1'2 | C1' | C2' | H2'2 | 102.2° | 180.0° |
| C3' | C2' | H2'1 | H2'2 | 116.4° | 120.0° |
| C2' | C3' | H3'1 | H3'2 | 125.2° | 120.1° |
| C2' | C3' | H3'1 | H3'3 | 125.2° | 119.9° |
| C2' | C3' | H3'2 | H3'3 | 116.4° | 119.9° |
| H2'1 | C2' | C3' | H3'1 | 54.7° | 60.0° |
| H2'1 | C2' | C3' | H3'2 | 180.0° | 179.9° |
| H2'1 | C2' | C3' | H3'3 | 70.6° | 60.0° |
| H2'2 | C2' | C3' | H3'1 | 54.7° | 60.0° |
| H2'2 | C2' | C3' | H3'2 | 70.5° | 60.1° |
| H2'2 | C2' | C3' | H3'3 | 180.0° | 180.0° |
| H3'1 | C3' | H3'2 | H3'3 | 116.5° | 120.0° |
