OPP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C1 | sing | 1.34Å | 1.38Å | |
| N | C4 | sing | 1.34Å | 1.39Å | |
| N | C5 | sing | 1.46Å | 1.46Å | |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.48Å | 1.50Å | |
| C2 | C3 | doub | 1.34Å | 1.58Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.48Å | 1.51Å | |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | O4 | doub | 1.21Å | 1.24Å | |
| C5 | O | sing | 1.43Å | 1.43Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| O | C5' | sing | 1.43Å | 1.44Å | |
| C5' | N' | sing | 1.46Å | 1.49Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| N' | C1' | sing | 1.35Å | 1.41Å | |
| N' | C4' | sing | 1.34Å | 1.41Å | |
| C1' | O1' | doub | 1.21Å | 1.25Å | |
| C1' | C2' | sing | 1.48Å | 1.52Å | |
| C2' | C3' | doub | 1.34Å | 1.60Å | |
| C2' | H2' | sing | 1.08Å | 1.10Å | |
| C3' | C4' | sing | 1.48Å | 1.51Å | |
| C3' | H3' | sing | 1.08Å | 1.10Å | |
| C4' | O4' | doub | 1.21Å | 1.25Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N | C4 | 109.6° | 109.6° |
| C1 | N | C5 | 123.6° | 125.2° |
| N | C1 | O1 | 124.4° | 125.8° |
| N | C1 | C2 | 112.4° | 108.5° |
| C4 | N | C5 | 126.8° | 125.2° |
| N | C4 | C3 | 112.0° | 108.4° |
| N | C4 | O4 | 125.6° | 125.8° |
| N | C5 | O | 111.0° | 109.5° |
| N | C5 | H51 | 111.6° | 109.5° |
| N | C5 | H52 | 111.6° | 109.5° |
| O1 | C1 | C2 | 123.1° | 125.8° |
| C1 | C2 | C3 | 103.0° | 106.8° |
| C1 | C2 | H2 | 126.7° | 126.6° |
| C3 | C2 | H2 | 130.3° | 126.6° |
| C2 | C3 | C4 | 103.0° | 106.8° |
| C2 | C3 | H3 | 130.2° | 126.6° |
| C4 | C3 | H3 | 126.8° | 126.6° |
| C3 | C4 | O4 | 122.4° | 125.8° |
| O | C5 | H51 | 111.7° | 109.4° |
| O | C5 | H52 | 111.7° | 109.5° |
| C5 | O | C5' | 111.0° | 106.8° |
| H51 | C5 | H52 | 98.7° | 109.4° |
| O | C5' | N' | 110.2° | 109.5° |
| O | C5' | H5'1 | 112.0° | 109.5° |
| O | C5' | H5'2 | 112.0° | 109.5° |
| N' | C5' | H5'1 | 111.9° | 109.5° |
| N' | C5' | H5'2 | 111.9° | 109.5° |
| C5' | N' | C1' | 125.5° | 125.2° |
| C5' | N' | C4' | 125.4° | 125.3° |
| H5'1 | C5' | H5'2 | 98.5° | 109.4° |
| C1' | N' | C4' | 109.1° | 109.5° |
| N' | C1' | O1' | 124.6° | 125.8° |
| N' | C1' | C2' | 111.8° | 108.5° |
| N' | C4' | C3' | 112.2° | 108.4° |
| N' | C4' | O4' | 125.1° | 125.8° |
| O1' | C1' | C2' | 123.6° | 125.8° |
| C1' | C2' | C3' | 103.4° | 106.7° |
| C1' | C2' | H2' | 126.4° | 126.7° |
| C3' | C2' | H2' | 130.1° | 126.6° |
| C2' | C3' | C4' | 103.5° | 106.8° |
| C2' | C3' | H3' | 130.3° | 126.6° |
| C4' | C3' | H3' | 126.2° | 126.6° |
| C3' | C4' | O4' | 122.8° | 125.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N | C4 | C5 | 179.8° | 179.6° |
| N | C1 | O1 | C2 | 180.0° | 179.6° |
| N | C1 | C2 | C3 | 0.3° | 0.3° |
| N | C1 | C2 | H2 | 179.7° | 179.8° |
| C1 | N | C4 | C3 | 0.1° | 0.4° |
| C1 | N | C4 | O4 | 179.9° | 179.9° |
| C1 | N | C5 | O | 76.0° | 90.5° |
| C1 | N | C5 | H51 | 49.3° | 29.6° |
| C1 | N | C5 | H52 | 158.8° | 149.5° |
| C4 | N | C1 | O1 | 179.9° | 179.9° |
| C4 | N | C1 | C2 | 0.1° | 0.4° |
| N | C4 | C3 | C2 | 0.3° | 0.2° |
| N | C4 | C3 | O4 | 179.8° | 179.7° |
| N | C4 | C3 | H3 | 179.7° | 179.8° |
| C4 | N | C5 | O | 103.8° | 90.0° |
| C4 | N | C5 | H51 | 130.9° | 150.0° |
| C4 | N | C5 | H52 | 21.4° | 30.0° |
| C5 | N | C1 | O1 | 0.1° | 0.3° |
| C5 | N | C1 | C2 | 179.9° | 180.0° |
| C5 | N | C4 | C3 | 179.7° | 180.0° |
| C5 | N | C4 | O4 | 0.0° | 0.3° |
| N | C5 | O | H51 | 125.2° | 120.1° |
| N | C5 | O | H52 | 125.2° | 120.0° |
| N | C5 | H51 | H52 | 117.5° | 120.0° |
| N | C5 | O | C5' | 179.3° | 90.0° |
| O1 | C1 | C2 | C3 | 179.8° | 180.0° |
| O1 | C1 | C2 | H2 | 0.2° | 0.1° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C1 | C2 | C3 | H3 | 179.7° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | O4 | 180.0° | 180.0° |
| H2 | C2 | C3 | C4 | 179.7° | 180.0° |
| H2 | C2 | C3 | H3 | 0.3° | 0.0° |
| H3 | C3 | C4 | O4 | 0.0° | 0.0° |
| O | C5 | H51 | H52 | 117.6° | 119.9° |
| C5 | O | C5' | N' | 179.8° | 90.0° |
| C5 | O | C5' | H5'1 | 54.6° | 150.0° |
| C5 | O | C5' | H5'2 | 55.0° | 30.1° |
| H51 | C5 | O | C5' | 54.1° | 30.0° |
| H52 | C5 | O | C5' | 55.4° | 149.9° |
| O | C5' | N' | H5'1 | 125.3° | 120.0° |
| O | C5' | N' | H5'2 | 125.2° | 120.0° |
| O | C5' | H5'1 | H5'2 | 117.9° | 119.9° |
| O | C5' | N' | C1' | 152.4° | 89.9° |
| O | C5' | N' | C4' | 27.5° | 90.3° |
| N' | C5' | H5'1 | H5'2 | 117.8° | 120.0° |
| C5' | N' | C1' | C4' | 179.9° | 179.8° |
| C5' | N' | C1' | O1' | 0.2° | 0.1° |
| C5' | N' | C1' | C2' | 179.8° | 180.0° |
| C5' | N' | C4' | C3' | 179.6° | 179.8° |
| C5' | N' | C4' | O4' | 0.2° | 0.2° |
| H5'1 | C5' | N' | C1' | 82.3° | 30.1° |
| H5'1 | C5' | N' | C4' | 97.8° | 149.7° |
| H5'2 | C5' | N' | C1' | 27.2° | 150.0° |
| H5'2 | C5' | N' | C4' | 152.7° | 29.7° |
| N' | C1' | O1' | C2' | 180.0° | 179.9° |
| N' | C1' | C2' | C3' | 0.1° | 0.1° |
| N' | C1' | C2' | H2' | 179.9° | 180.0° |
| C1' | N' | C4' | C3' | 0.3° | 0.4° |
| C1' | N' | C4' | O4' | 179.9° | 180.0° |
| C4' | N' | C1' | O1' | 179.9° | 179.7° |
| C4' | N' | C1' | C2' | 0.1° | 0.2° |
| N' | C4' | C3' | C2' | 0.4° | 0.4° |
| N' | C4' | C3' | O4' | 179.8° | 179.6° |
| N' | C4' | C3' | H3' | 179.5° | 179.8° |
| O1' | C1' | C2' | C3' | 179.8° | 180.0° |
| O1' | C1' | C2' | H2' | 0.1° | 0.1° |
| C1' | C2' | C3' | H2' | 180.0° | 179.9° |
| C1' | C2' | C3' | C4' | 0.3° | 0.3° |
| C1' | C2' | C3' | H3' | 179.6° | 179.9° |
| C2' | C3' | C4' | H3' | 180.0° | 179.8° |
| C2' | C3' | C4' | O4' | 179.8° | 180.0° |
| H2' | C2' | C3' | C4' | 179.7° | 179.8° |
| H2' | C2' | C3' | H3' | 0.3° | 0.0° |
| H3' | C3' | C4' | O4' | 0.2° | 0.2° |
