N88
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O1 | sing | 1.34Å | 1.26Å | |
| C1 | C | sing | 1.51Å | 1.52Å | |
| C1 | O30 | sing | 1.43Å | 1.43Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| O2 | C | doub | 1.21Å | 1.26Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | C3 | sing | 1.43Å | 1.44Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.50Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | C13 | sing | 1.47Å | 1.35Å | |
| C5 | C6 | doub | 1.31Å | 1.35Å | |
| C6 | C1 | sing | 1.50Å | 1.52Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | N14 | sing | 1.35Å | 1.35Å | |
| N14 | C15 | sing | 1.47Å | 1.47Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å | |
| C15 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | C15 | sing | 1.53Å | 1.53Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| O19 | C13 | doub | 1.22Å | 1.23Å | |
| O30 | HO30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C | C1 | 118.7° | 120.0° |
| C | O1 | HO1 | 109.5° | 117.0° |
| O1 | C | O2 | 122.8° | 120.0° |
| C | C1 | O30 | 110.2° | 109.3° |
| C | C1 | C2 | 108.4° | 109.3° |
| C1 | C | O2 | 118.5° | 120.0° |
| C | C1 | C6 | 109.9° | 109.4° |
| O30 | C1 | C2 | 109.6° | 109.3° |
| O30 | C1 | C6 | 106.4° | 109.4° |
| C1 | O30 | HO30 | 109.5° | 114.1° |
| C1 | C2 | H2 | 108.2° | 109.6° |
| C1 | C2 | H2A | 108.1° | 109.6° |
| C1 | C2 | C3 | 113.6° | 108.5° |
| C2 | C1 | C6 | 112.4° | 110.1° |
| H2 | C2 | H2A | 110.7° | 109.6° |
| H2 | C2 | C3 | 108.1° | 109.6° |
| H2A | C2 | C3 | 108.1° | 109.8° |
| C2 | C3 | H3 | 105.5° | 109.6° |
| C2 | C3 | O3 | 110.9° | 109.7° |
| C2 | C3 | C4 | 113.6° | 108.5° |
| H3 | C3 | O3 | 110.2° | 109.6° |
| H3 | C3 | C4 | 107.3° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.1° |
| O3 | C3 | C4 | 109.2° | 109.8° |
| C3 | C4 | C5 | 114.5° | 110.2° |
| C3 | C4 | H4 | 105.3° | 109.3° |
| C3 | C4 | O4 | 109.7° | 109.4° |
| C5 | C4 | H4 | 107.2° | 109.4° |
| C5 | C4 | O4 | 107.9° | 109.4° |
| C4 | C5 | C13 | 119.9° | 118.1° |
| C4 | C5 | C6 | 118.9° | 123.7° |
| H4 | C4 | O4 | 112.3° | 109.2° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C13 | C5 | C6 | 121.2° | 118.2° |
| C5 | C13 | N14 | 119.7° | 120.0° |
| C5 | C13 | O19 | 119.3° | 120.0° |
| C5 | C6 | C1 | 120.6° | 124.0° |
| C5 | C6 | H6 | 119.7° | 118.0° |
| C1 | C6 | H6 | 119.7° | 118.0° |
| C13 | N14 | C15 | 128.2° | 120.0° |
| C13 | N14 | HN14 | 115.9° | 120.0° |
| N14 | C13 | O19 | 121.1° | 120.1° |
| C15 | N14 | HN14 | 115.9° | 120.0° |
| N14 | C15 | C18 | 107.4° | 109.4° |
| N14 | C15 | C16 | 108.7° | 109.5° |
| N14 | C15 | C17 | 113.3° | 109.5° |
| C18 | C15 | C16 | 109.5° | 109.4° |
| C18 | C15 | C17 | 108.5° | 109.5° |
| C15 | C18 | H18 | 109.5° | 109.5° |
| C15 | C18 | H18A | 109.4° | 109.5° |
| C15 | C18 | H18B | 109.5° | 109.4° |
| C15 | C16 | H16 | 109.5° | 109.5° |
| C15 | C16 | H16A | 109.4° | 109.5° |
| C15 | C16 | H16B | 109.5° | 109.5° |
| C16 | C15 | C17 | 109.3° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.4° |
| H16 | C16 | H16B | 109.4° | 109.4° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| C15 | C17 | H17 | 109.5° | 109.5° |
| C15 | C17 | H17A | 109.4° | 109.5° |
| C15 | C17 | H17B | 109.5° | 109.4° |
| H17 | C17 | H17A | 109.5° | 109.6° |
| H17 | C17 | H17B | 109.5° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.4° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C | C1 | O2 | 179.7° | 179.7° |
| O1 | C | C1 | O30 | 37.5° | 35.0° |
| O1 | C | C1 | C2 | 157.4° | 154.7° |
| O1 | C | C1 | C6 | 79.4° | 84.7° |
| C | C1 | O30 | C2 | 119.2° | 119.7° |
| C | C1 | O30 | C6 | 119.1° | 119.7° |
| C1 | C | O1 | HO1 | 179.7° | 180.0° |
| C | C1 | C2 | C6 | 121.6° | 120.1° |
| C | C1 | C2 | H2 | 79.8° | 70.3° |
| C | C1 | C2 | H2A | 40.2° | 50.1° |
| C | C1 | C2 | C3 | 160.2° | 170.0° |
| C | C1 | C6 | C5 | 114.9° | 137.5° |
| C | C1 | C6 | H6 | 65.1° | 42.8° |
| C | C1 | O30 | HO30 | 180.0° | 60.0° |
| O30 | C1 | C2 | C6 | 118.1° | 120.2° |
| O30 | C1 | C2 | H2 | 40.5° | 49.4° |
| O30 | C1 | C2 | H2A | 160.5° | 169.7° |
| O30 | C1 | C | O2 | 142.2° | 145.3° |
| O30 | C1 | C2 | C3 | 79.5° | 70.4° |
| O30 | C1 | C6 | C5 | 125.7° | 102.7° |
| O30 | C1 | C6 | H6 | 54.3° | 76.9° |
| HO1 | O1 | C | O2 | 0.0° | 0.3° |
| C1 | C2 | H2 | H2A | 118.3° | 120.4° |
| C1 | C2 | H2 | C3 | 123.4° | 119.0° |
| C1 | C2 | H2A | C3 | 123.4° | 119.1° |
| C2 | C1 | C | O2 | 22.3° | 25.6° |
| C1 | C2 | C3 | H3 | 68.6° | 51.7° |
| C1 | C2 | C3 | O3 | 172.1° | 172.1° |
| C1 | C2 | C3 | C4 | 48.6° | 68.0° |
| C2 | C1 | C6 | C5 | 5.8° | 17.4° |
| C2 | C1 | C6 | H6 | 174.2° | 162.9° |
| C2 | C1 | O30 | HO30 | 60.9° | 179.7° |
| H2 | C2 | H2A | C3 | 118.3° | 120.5° |
| H2 | C2 | C3 | H3 | 51.4° | 68.0° |
| H2 | C2 | C3 | O3 | 67.9° | 52.4° |
| H2 | C2 | C3 | C4 | 168.6° | 172.3° |
| H2 | C2 | C1 | C6 | 158.6° | 169.5° |
| H2A | C2 | C3 | H3 | 171.4° | 171.5° |
| H2A | C2 | C3 | O3 | 52.1° | 68.1° |
| H2A | C2 | C3 | C4 | 71.4° | 51.8° |
| H2A | C2 | C1 | C6 | 81.5° | 70.1° |
| O2 | C | C1 | C6 | 100.8° | 95.0° |
| C2 | C3 | H3 | O3 | 119.8° | 120.4° |
| C2 | C3 | H3 | C4 | 121.4° | 119.0° |
| C2 | C3 | O3 | C4 | 125.9° | 119.1° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 15.9° | 49.7° |
| C2 | C3 | C4 | H4 | 101.6° | 70.5° |
| C2 | C3 | C4 | O4 | 137.4° | 170.0° |
| C3 | C2 | C1 | C6 | 38.6° | 49.8° |
| H3 | C3 | O3 | C4 | 117.6° | 120.5° |
| H3 | C3 | O3 | HO3 | 63.5° | 59.6° |
| H3 | C3 | C4 | C5 | 100.3° | 70.0° |
| H3 | C3 | C4 | H4 | 142.2° | 169.8° |
| H3 | C3 | C4 | O4 | 21.2° | 50.3° |
| O3 | C3 | C4 | C5 | 140.3° | 169.6° |
| O3 | C3 | C4 | H4 | 22.8° | 49.4° |
| O3 | C3 | C4 | O4 | 98.3° | 70.2° |
| HO3 | O3 | C3 | C4 | 54.1° | 60.9° |
| C3 | C4 | C5 | H4 | 116.5° | 120.2° |
| C3 | C4 | C5 | O4 | 122.4° | 120.2° |
| C3 | C4 | H4 | O4 | 119.3° | 119.7° |
| C3 | C4 | O4 | HO4 | 180.0° | 172.7° |
| C3 | C4 | C5 | C13 | 151.0° | 162.8° |
| C3 | C4 | C5 | C6 | 28.9° | 17.3° |
| C5 | C4 | H4 | O4 | 118.3° | 119.7° |
| C5 | C4 | O4 | HO4 | 54.7° | 66.6° |
| C4 | C5 | C13 | C6 | 179.9° | 179.9° |
| C4 | C5 | C6 | C1 | 41.0° | 0.7° |
| C4 | C5 | C6 | H6 | 139.0° | 179.6° |
| C4 | C5 | C13 | N14 | 179.9° | 173.6° |
| C4 | C5 | C13 | O19 | 1.4° | 6.5° |
| H4 | C4 | O4 | HO4 | 63.2° | 53.1° |
| H4 | C4 | C5 | C13 | 34.6° | 77.0° |
| H4 | C4 | C5 | C6 | 145.3° | 102.9° |
| O4 | C4 | C5 | C13 | 86.6° | 42.6° |
| O4 | C4 | C5 | C6 | 93.5° | 137.5° |
| C13 | C5 | C6 | C1 | 138.9° | 179.4° |
| C13 | C5 | C6 | H6 | 41.1° | 0.3° |
| C5 | C13 | N14 | O19 | 178.5° | 179.9° |
| C5 | C13 | N14 | C15 | 147.8° | 175.2° |
| C5 | C13 | N14 | HN14 | 32.2° | 4.9° |
| C5 | C6 | C1 | H6 | 180.0° | 179.7° |
| C6 | C5 | C13 | N14 | 0.0° | 6.5° |
| C6 | C5 | C13 | O19 | 178.5° | 173.4° |
| C6 | C1 | O30 | HO30 | 60.9° | 59.7° |
| C13 | N14 | C15 | HN14 | 180.0° | 180.0° |
| C13 | N14 | C15 | C18 | 139.6° | 60.1° |
| C13 | N14 | C15 | C16 | 102.0° | 180.0° |
| C13 | N14 | C15 | C17 | 19.8° | 59.9° |
| N14 | C15 | C18 | C16 | 117.9° | 120.0° |
| N14 | C15 | C18 | C17 | 122.9° | 120.0° |
| N14 | C15 | C16 | C17 | 124.2° | 120.0° |
| N14 | C15 | C16 | H16 | 180.0° | 60.0° |
| N14 | C15 | C16 | H16A | 60.0° | 180.0° |
| N14 | C15 | C16 | H16B | 60.0° | 59.9° |
| N14 | C15 | C17 | H17 | 180.0° | 59.9° |
| N14 | C15 | C17 | H17A | 60.0° | 180.0° |
| N14 | C15 | C17 | H17B | 60.0° | 60.0° |
| N14 | C15 | C18 | H18 | 180.0° | 60.0° |
| N14 | C15 | C18 | H18A | 60.0° | 180.0° |
| N14 | C15 | C18 | H18B | 60.0° | 60.0° |
| C15 | N14 | C13 | O19 | 33.7° | 4.7° |
| HN14 | N14 | C15 | C18 | 40.4° | 120.0° |
| HN14 | N14 | C15 | C16 | 78.0° | 0.0° |
| HN14 | N14 | C15 | C17 | 160.2° | 120.0° |
| HN14 | N14 | C13 | O19 | 146.3° | 175.2° |
| C18 | C15 | C16 | C17 | 118.7° | 120.0° |
| C18 | C15 | C16 | H16 | 62.9° | 180.0° |
| C18 | C15 | C16 | H16A | 177.1° | 60.1° |
| C18 | C15 | C16 | H16B | 57.1° | 60.0° |
| C18 | C15 | C17 | H17 | 60.8° | 60.0° |
| C18 | C15 | C17 | H17A | 59.2° | 60.1° |
| C18 | C15 | C17 | H17B | 179.2° | 180.0° |
| C15 | C18 | H18 | H18A | 120.0° | 120.0° |
| C15 | C18 | H18 | H18B | 120.0° | 120.0° |
| C15 | C18 | H18A | H18B | 120.0° | 120.0° |
| C15 | C16 | H16 | H16A | 120.0° | 120.0° |
| C15 | C16 | H16 | H16B | 120.0° | 120.0° |
| C15 | C16 | H16A | H16B | 120.0° | 120.1° |
| C16 | C15 | C17 | H17 | 58.5° | 180.0° |
| C16 | C15 | C17 | H17A | 178.5° | 59.9° |
| C16 | C15 | C17 | H17B | 61.5° | 60.0° |
| C16 | C15 | C18 | H18 | 62.1° | 60.0° |
| C16 | C15 | C18 | H18A | 57.9° | 60.0° |
| C16 | C15 | C18 | H18B | 177.9° | 180.0° |
| H16 | C16 | H16A | H16B | 120.0° | 119.9° |
| H16 | C16 | C15 | C17 | 55.8° | 60.0° |
| H16A | C16 | C15 | C17 | 64.2° | 60.0° |
| H16B | C16 | C15 | C17 | 175.8° | 180.0° |
| C15 | C17 | H17 | H17A | 120.0° | 120.0° |
| C15 | C17 | H17 | H17B | 120.0° | 120.0° |
| C15 | C17 | H17A | H17B | 120.0° | 119.9° |
| C17 | C15 | C18 | H18 | 57.2° | 180.0° |
| C17 | C15 | C18 | H18A | 177.1° | 60.0° |
| C17 | C15 | C18 | H18B | 62.9° | 60.0° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
