CNP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1A | doub | 1.21Å | 1.25Å | |
| C1 | O1B | sing | 1.34Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| C2 | C12 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | O6 | sing | 1.43Å | 1.45Å | |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | doub | 1.31Å | 1.36Å | |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.10Å | |
| C14 | H142 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | N5 | sing | 1.46Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| N5 | C10 | sing | 1.35Å | 1.33Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C10 | O10 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C6 | O6 | sing | 1.43Å | 1.47Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| C7 | O7 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.11Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C8 | O8 | sing | 1.43Å | 1.42Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | H8 | sing | 1.09Å | 1.12Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C9 | O9 | sing | 1.43Å | 1.42Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C1 | O1B | 122.4° | 120.0° |
| O1A | C1 | C2 | 118.8° | 120.0° |
| O1B | C1 | C2 | 118.8° | 120.0° |
| C1 | O1B | HO1B | 122.4° | 120.0° |
| C1 | C2 | C12 | 105.6° | 109.4° |
| C1 | C2 | C3 | 109.5° | 109.5° |
| C1 | C2 | O6 | 106.8° | 109.4° |
| C12 | C2 | C3 | 111.8° | 109.4° |
| C12 | C2 | O6 | 111.7° | 109.4° |
| C2 | C12 | C13 | 120.8° | 109.5° |
| C2 | C12 | H121 | 108.2° | 109.5° |
| C2 | C12 | H122 | 108.2° | 109.5° |
| C3 | C2 | O6 | 111.1° | 109.8° |
| C2 | C3 | C4 | 114.0° | 109.0° |
| C2 | C3 | H32 | 110.5° | 109.5° |
| C2 | C3 | H31 | 110.5° | 109.6° |
| C2 | O6 | C6 | 117.6° | 107.7° |
| C13 | C12 | H121 | 108.2° | 109.4° |
| C13 | C12 | H122 | 108.1° | 109.4° |
| C12 | C13 | C14 | 125.4° | 120.0° |
| C12 | C13 | H13 | 124.3° | 119.9° |
| H121 | C12 | H122 | 101.8° | 109.5° |
| C14 | C13 | H13 | 110.3° | 120.0° |
| C13 | C14 | H141 | 110.4° | 120.0° |
| C13 | C14 | H142 | 125.4° | 120.0° |
| H141 | C14 | H142 | 124.3° | 120.0° |
| C4 | C3 | H32 | 110.6° | 109.6° |
| C4 | C3 | H31 | 110.6° | 109.5° |
| C3 | C4 | O4 | 109.7° | 109.7° |
| C3 | C4 | C5 | 111.6° | 108.7° |
| C3 | C4 | H4 | 107.7° | 109.6° |
| H32 | C3 | H31 | 99.7° | 109.6° |
| O4 | C4 | C5 | 109.1° | 109.7° |
| O4 | C4 | H4 | 110.3° | 109.6° |
| C4 | O4 | HO4 | 109.8° | 106.8° |
| C5 | C4 | H4 | 108.5° | 109.6° |
| C4 | C5 | N5 | 108.9° | 109.5° |
| C4 | C5 | C6 | 111.2° | 109.1° |
| C4 | C5 | H5 | 108.6° | 109.5° |
| N5 | C5 | C6 | 109.5° | 109.6° |
| N5 | C5 | H5 | 110.5° | 109.5° |
| C5 | N5 | C10 | 121.7° | 120.0° |
| C5 | N5 | HN5 | 123.8° | 119.9° |
| C6 | C5 | H5 | 108.1° | 109.5° |
| C5 | C6 | O6 | 113.1° | 109.8° |
| C5 | C6 | C7 | 111.4° | 109.5° |
| C5 | C6 | H6 | 106.3° | 109.3° |
| C10 | N5 | HN5 | 114.5° | 120.0° |
| N5 | C10 | O10 | 123.3° | 120.0° |
| N5 | C10 | C11 | 117.2° | 120.0° |
| O10 | C10 | C11 | 119.5° | 120.0° |
| C10 | C11 | H111 | 117.1° | 109.5° |
| C10 | C11 | H113 | 109.4° | 109.5° |
| C10 | C11 | H112 | 109.4° | 109.5° |
| H111 | C11 | H113 | 109.4° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H113 | C11 | H112 | 100.7° | 109.5° |
| O6 | C6 | C7 | 111.6° | 109.4° |
| O6 | C6 | H6 | 106.1° | 109.5° |
| C7 | C6 | H6 | 108.0° | 109.4° |
| C6 | C7 | O7 | 110.7° | 109.5° |
| C6 | C7 | C8 | 115.2° | 109.5° |
| C6 | C7 | H7 | 104.2° | 109.5° |
| O7 | C7 | C8 | 108.4° | 109.5° |
| O7 | C7 | H7 | 111.6° | 109.4° |
| C7 | O7 | HO7 | 110.7° | 106.8° |
| C8 | C7 | H7 | 106.8° | 109.5° |
| C7 | C8 | O8 | 111.1° | 109.5° |
| C7 | C8 | C9 | 111.8° | 109.5° |
| C7 | C8 | H8 | 106.8° | 109.5° |
| O8 | C8 | C9 | 109.6° | 109.4° |
| O8 | C8 | H8 | 109.0° | 109.4° |
| C8 | O8 | HO8 | 111.2° | 106.8° |
| C9 | C8 | H8 | 108.4° | 109.5° |
| C8 | C9 | O9 | 109.2° | 109.5° |
| C8 | C9 | H92 | 112.3° | 109.5° |
| C8 | C9 | H91 | 112.3° | 109.5° |
| O9 | C9 | H92 | 112.3° | 109.4° |
| O9 | C9 | H91 | 112.3° | 109.5° |
| C9 | O9 | HO9 | 109.2° | 106.8° |
| H92 | C9 | H91 | 98.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1 | O1B | C2 | 177.4° | 180.0° |
| O1A | C1 | O1B | HO1B | 180.0° | 0.0° |
| O1A | C1 | C2 | C12 | 87.1° | 96.0° |
| O1A | C1 | C2 | C3 | 33.4° | 23.8° |
| O1A | C1 | C2 | O6 | 153.8° | 144.1° |
| O1B | C1 | C2 | C12 | 90.4° | 84.0° |
| O1B | C1 | C2 | C3 | 149.0° | 156.1° |
| O1B | C1 | C2 | O6 | 28.7° | 35.8° |
| C2 | C1 | O1B | HO1B | 2.5° | 180.0° |
| C1 | C2 | C12 | C3 | 119.0° | 119.9° |
| C1 | C2 | C12 | O6 | 115.7° | 119.8° |
| C1 | C2 | C3 | O6 | 117.7° | 120.1° |
| C1 | C2 | C12 | C13 | 43.4° | 60.1° |
| C1 | C2 | C12 | H121 | 168.6° | 59.8° |
| C1 | C2 | C12 | H122 | 81.9° | 179.9° |
| C1 | C2 | C3 | C4 | 144.0° | 58.8° |
| C1 | C2 | C3 | H32 | 90.7° | 61.1° |
| C1 | C2 | C3 | H31 | 18.7° | 178.7° |
| C1 | C2 | O6 | C6 | 176.3° | 52.5° |
| C12 | C2 | C3 | O6 | 125.6° | 120.1° |
| C2 | C12 | C13 | H121 | 125.3° | 119.9° |
| C2 | C12 | C13 | H122 | 125.3° | 120.0° |
| C2 | C12 | H121 | H122 | 113.9° | 120.1° |
| C2 | C12 | C13 | C14 | 171.3° | 120.0° |
| C2 | C12 | C13 | H13 | 8.7° | 60.0° |
| C12 | C2 | C3 | C4 | 99.3° | 178.7° |
| C12 | C2 | C3 | H32 | 26.0° | 58.8° |
| C12 | C2 | C3 | H31 | 135.4° | 61.5° |
| C12 | C2 | O6 | C6 | 68.7° | 172.4° |
| C3 | C2 | C12 | C13 | 75.7° | 180.0° |
| C3 | C2 | C12 | H121 | 49.6° | 60.1° |
| C3 | C2 | C12 | H122 | 159.1° | 60.0° |
| C2 | C3 | C4 | H32 | 125.3° | 119.8° |
| C2 | C3 | C4 | H31 | 125.3° | 119.9° |
| C2 | C3 | H32 | H31 | 116.3° | 120.3° |
| C2 | C3 | C4 | O4 | 149.6° | 173.6° |
| C2 | C3 | C4 | C5 | 28.6° | 53.7° |
| C2 | C3 | C4 | H4 | 90.3° | 66.0° |
| C3 | C2 | O6 | C6 | 56.9° | 67.6° |
| O6 | C2 | C12 | C13 | 159.1° | 59.7° |
| O6 | C2 | C12 | H121 | 75.7° | 179.6° |
| O6 | C2 | C12 | H122 | 33.8° | 60.3° |
| O6 | C2 | C3 | C4 | 26.3° | 61.3° |
| O6 | C2 | C3 | H32 | 151.6° | 178.9° |
| O6 | C2 | C3 | H31 | 99.0° | 58.6° |
| C2 | O6 | C6 | C5 | 26.7° | 67.5° |
| C2 | O6 | C6 | C7 | 99.8° | 172.4° |
| C2 | O6 | C6 | H6 | 142.9° | 52.5° |
| C13 | C12 | H121 | H122 | 113.8° | 120.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | H141 | 0.0° | 180.0° |
| C12 | C13 | C14 | H142 | 180.0° | 0.0° |
| H121 | C12 | C13 | C14 | 63.4° | 0.0° |
| H121 | C12 | C13 | H13 | 116.6° | 180.0° |
| H122 | C12 | C13 | C14 | 46.0° | 120.0° |
| H122 | C12 | C13 | H13 | 133.9° | 60.0° |
| C13 | C14 | H141 | H142 | 180.0° | 180.0° |
| H13 | C13 | C14 | H141 | 179.9° | 0.0° |
| H13 | C13 | C14 | H142 | 0.0° | 180.0° |
| C4 | C3 | H32 | H31 | 116.5° | 120.2° |
| C3 | C4 | O4 | C5 | 122.5° | 119.3° |
| C3 | C4 | O4 | H4 | 118.5° | 120.4° |
| C3 | C4 | C5 | H4 | 118.4° | 119.7° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.7° |
| C3 | C4 | C5 | N5 | 179.3° | 173.6° |
| C3 | C4 | C5 | C6 | 58.5° | 53.6° |
| C3 | C4 | C5 | H5 | 60.3° | 66.3° |
| H32 | C3 | C4 | O4 | 24.3° | 66.5° |
| H32 | C3 | C4 | C5 | 96.7° | 173.5° |
| H32 | C3 | C4 | H4 | 144.4° | 53.8° |
| H31 | C3 | C4 | O4 | 85.2° | 53.7° |
| H31 | C3 | C4 | C5 | 153.8° | 66.2° |
| H31 | C3 | C4 | H4 | 34.9° | 174.1° |
| O4 | C4 | C5 | H4 | 120.2° | 120.3° |
| O4 | C4 | C5 | N5 | 59.3° | 66.4° |
| O4 | C4 | C5 | C6 | 179.9° | 173.6° |
| O4 | C4 | C5 | H5 | 61.1° | 53.7° |
| C5 | C4 | O4 | HO4 | 57.5° | 180.0° |
| C4 | C5 | N5 | C6 | 121.8° | 119.7° |
| C4 | C5 | N5 | H5 | 119.2° | 120.1° |
| C4 | C5 | C6 | H5 | 119.2° | 119.9° |
| C4 | C5 | N5 | C10 | 144.6° | 90.1° |
| C4 | C5 | N5 | HN5 | 35.4° | 89.9° |
| C4 | C5 | C6 | O6 | 31.4° | 61.1° |
| C4 | C5 | C6 | C7 | 158.1° | 178.8° |
| C4 | C5 | C6 | H6 | 84.6° | 59.0° |
| H4 | C4 | O4 | HO4 | 61.6° | 59.7° |
| H4 | C4 | C5 | N5 | 60.8° | 53.9° |
| H4 | C4 | C5 | C6 | 59.9° | 66.1° |
| H4 | C4 | C5 | H5 | 178.8° | 174.0° |
| N5 | C5 | C6 | H5 | 120.4° | 120.2° |
| C5 | N5 | C10 | HN5 | 180.0° | 180.0° |
| C5 | N5 | C10 | O10 | 2.6° | 0.0° |
| C5 | N5 | C10 | C11 | 179.4° | 180.0° |
| N5 | C5 | C6 | O6 | 151.9° | 179.0° |
| N5 | C5 | C6 | C7 | 81.5° | 58.8° |
| N5 | C5 | C6 | H6 | 35.9° | 60.9° |
| C6 | C5 | N5 | C10 | 93.6° | 150.2° |
| C6 | C5 | N5 | HN5 | 86.4° | 29.8° |
| C5 | C6 | O6 | C7 | 126.5° | 120.2° |
| C5 | C6 | O6 | H6 | 116.2° | 120.0° |
| C5 | C6 | C7 | H6 | 116.4° | 119.7° |
| C5 | C6 | C7 | O7 | 39.0° | 60.4° |
| C5 | C6 | C7 | C8 | 162.4° | 179.6° |
| C5 | C6 | C7 | H7 | 81.0° | 59.6° |
| H5 | C5 | N5 | C10 | 25.3° | 30.0° |
| H5 | C5 | N5 | HN5 | 154.7° | 150.0° |
| H5 | C5 | C6 | O6 | 87.7° | 58.8° |
| H5 | C5 | C6 | C7 | 38.9° | 61.4° |
| H5 | C5 | C6 | H6 | 156.3° | 178.9° |
| N5 | C10 | O10 | C11 | 178.0° | 179.9° |
| N5 | C10 | C11 | H111 | 180.0° | 180.0° |
| N5 | C10 | C11 | H113 | 54.7° | 60.1° |
| N5 | C10 | C11 | H112 | 54.7° | 60.0° |
| HN5 | N5 | C10 | O10 | 177.4° | 180.0° |
| HN5 | N5 | C10 | C11 | 0.6° | 0.1° |
| O10 | C10 | C11 | H111 | 1.9° | 0.0° |
| O10 | C10 | C11 | H113 | 127.1° | 120.0° |
| O10 | C10 | C11 | H112 | 123.4° | 120.0° |
| C10 | C11 | H111 | H113 | 125.2° | 120.0° |
| C10 | C11 | H111 | H112 | 125.3° | 120.0° |
| C10 | C11 | H113 | H112 | 115.2° | 120.1° |
| H111 | C11 | H113 | H112 | 115.3° | 119.9° |
| O6 | C6 | C7 | H6 | 116.2° | 119.9° |
| O6 | C6 | C7 | O7 | 88.4° | 60.0° |
| O6 | C6 | C7 | C8 | 35.0° | 60.0° |
| O6 | C6 | C7 | H7 | 151.6° | 180.0° |
| C6 | C7 | O7 | C8 | 127.2° | 120.0° |
| C6 | C7 | O7 | H7 | 115.6° | 120.0° |
| C6 | C7 | C8 | H7 | 115.2° | 120.0° |
| C6 | C7 | O7 | HO7 | 179.9° | 60.0° |
| C6 | C7 | C8 | O8 | 66.5° | 60.0° |
| C6 | C7 | C8 | C9 | 56.4° | 180.0° |
| C6 | C7 | C8 | H8 | 174.7° | 59.9° |
| H6 | C6 | C7 | O7 | 155.4° | 179.9° |
| H6 | C6 | C7 | C8 | 81.2° | 59.9° |
| H6 | C6 | C7 | H7 | 35.4° | 60.1° |
| O7 | C7 | C8 | H7 | 120.3° | 120.0° |
| O7 | C7 | C8 | O8 | 58.1° | NaN° |
| O7 | C7 | C8 | C9 | 179.1° | 60.0° |
| O7 | C7 | C8 | H8 | 60.7° | 60.1° |
| C8 | C7 | O7 | HO7 | 52.8° | 60.0° |
| C7 | C8 | O8 | C9 | 124.1° | 120.0° |
| C7 | C8 | O8 | H8 | 117.5° | 120.0° |
| C7 | C8 | C9 | H8 | 117.4° | 120.1° |
| C7 | C8 | O8 | HO8 | 180.0° | 60.1° |
| C7 | C8 | C9 | O9 | 106.7° | 180.0° |
| C7 | C8 | C9 | H92 | 128.1° | 60.0° |
| C7 | C8 | C9 | H91 | 18.6° | 60.0° |
| H7 | C7 | O7 | HO7 | 64.5° | 180.0° |
| H7 | C7 | C8 | O8 | 178.4° | 60.0° |
| H7 | C7 | C8 | C9 | 58.8° | 60.0° |
| H7 | C7 | C8 | H8 | 59.6° | 180.0° |
| O8 | C8 | C9 | H8 | 118.9° | 119.9° |
| O8 | C8 | C9 | O9 | 17.0° | 60.0° |
| O8 | C8 | C9 | H92 | 108.2° | 180.0° |
| O8 | C8 | C9 | H91 | 142.3° | 60.0° |
| C9 | C8 | O8 | HO8 | 55.9° | 59.9° |
| C8 | C9 | O9 | H92 | 125.2° | 120.0° |
| C8 | C9 | O9 | H91 | 125.2° | 120.0° |
| C8 | C9 | H92 | H91 | 118.2° | 120.0° |
| C8 | C9 | O9 | HO9 | 180.0° | 180.0° |
| H8 | C8 | O8 | HO8 | 62.5° | 179.9° |
| H8 | C8 | C9 | O9 | 135.9° | 59.9° |
| H8 | C8 | C9 | H92 | 10.7° | 60.1° |
| H8 | C8 | C9 | H91 | 98.8° | 179.9° |
| O9 | C9 | H92 | H91 | 118.3° | 120.0° |
| H92 | C9 | O9 | HO9 | 54.8° | 60.0° |
| H91 | C9 | O9 | HO9 | 54.8° | 60.0° |
