N81
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | sing | 1.43Å | 1.39Å | |
| O01 | HO01 | sing | 0.97Å | 0.95Å | |
| C11 | C02 | sing | 1.51Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C08 | C03 | sing | 1.51Å | 1.50Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C05 | C04 | sing | 1.51Å | 1.51Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H04A | sing | 1.09Å | 1.10Å | |
| O06 | C05 | doub | 1.21Å | 1.27Å | |
| C05 | O07 | sing | 1.34Å | 1.27Å | |
| O07 | HO07 | sing | 0.97Å | 0.95Å | |
| O10 | C08 | doub | 1.21Å | 1.28Å | |
| O09 | C08 | sing | 1.34Å | 1.27Å | |
| O09 | HO09 | sing | 0.97Å | 0.95Å | |
| O13 | C11 | doub | 1.21Å | 1.26Å | |
| C11 | O12 | sing | 1.34Å | 1.26Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | O01 | HO01 | 109.5° | 114.0° |
| O01 | C02 | C11 | 109.3° | 109.5° |
| O01 | C02 | C03 | 103.6° | 109.5° |
| O01 | C02 | H02 | 108.8° | 109.5° |
| C11 | C02 | C03 | 120.4° | 109.4° |
| C11 | C02 | H02 | 107.1° | 109.4° |
| C02 | C11 | O13 | 123.9° | 120.0° |
| C02 | C11 | O12 | 118.0° | 120.0° |
| C03 | C02 | H02 | 107.2° | 109.5° |
| C02 | C03 | C08 | 112.3° | 109.4° |
| C02 | C03 | C04 | 109.7° | 109.5° |
| C02 | C03 | H03 | 107.6° | 109.5° |
| C08 | C03 | C04 | 111.8° | 109.4° |
| C08 | C03 | H03 | 107.7° | 109.5° |
| C03 | C08 | O10 | 118.8° | 120.0° |
| C03 | C08 | O09 | 117.4° | 120.0° |
| C04 | C03 | H03 | 107.5° | 109.5° |
| C03 | C04 | C05 | 111.2° | 109.5° |
| C03 | C04 | H04 | 109.0° | 109.5° |
| C03 | C04 | H04A | 109.0° | 109.4° |
| C05 | C04 | H04 | 109.0° | 109.5° |
| C05 | C04 | H04A | 109.0° | 109.4° |
| C04 | C05 | O06 | 118.6° | 120.0° |
| C04 | C05 | O07 | 120.1° | 120.0° |
| H04 | C04 | H04A | 109.5° | 109.5° |
| O06 | C05 | O07 | 121.3° | 120.0° |
| C05 | O07 | HO07 | 109.5° | 117.0° |
| O10 | C08 | O09 | 123.8° | 120.0° |
| C08 | O09 | HO09 | 109.5° | 117.0° |
| O13 | C11 | O12 | 118.1° | 120.0° |
| C11 | O12 | HO12 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C11 | C03 | 119.7° | 120.0° |
| O01 | C02 | C11 | H02 | 117.7° | 120.0° |
| O01 | C02 | C03 | H02 | 115.0° | 120.0° |
| O01 | C02 | C03 | C08 | 138.3° | 64.9° |
| O01 | C02 | C03 | C04 | 96.8° | 55.0° |
| O01 | C02 | C03 | H03 | 19.9° | 175.0° |
| O01 | C02 | C11 | O13 | 89.7° | 4.9° |
| O01 | C02 | C11 | O12 | 89.9° | 175.1° |
| HO01 | O01 | C02 | C11 | 180.0° | 60.0° |
| HO01 | O01 | C02 | C03 | 50.5° | 60.0° |
| HO01 | O01 | C02 | H02 | 63.4° | 180.0° |
| C11 | C02 | C03 | H02 | 122.6° | 120.0° |
| C11 | C02 | C03 | C08 | 15.8° | 175.1° |
| C11 | C02 | C03 | C04 | 140.8° | 65.0° |
| C11 | C02 | C03 | H03 | 102.5° | 55.0° |
| C02 | C11 | O13 | O12 | 179.6° | 180.0° |
| C02 | C11 | O12 | HO12 | 179.6° | 180.0° |
| C02 | C03 | C08 | C04 | 123.8° | 120.0° |
| C02 | C03 | C08 | H03 | 118.3° | 120.1° |
| C02 | C03 | C04 | H03 | 116.8° | 120.1° |
| C02 | C03 | C04 | C05 | 169.4° | 175.0° |
| C02 | C03 | C04 | H04 | 70.4° | 64.9° |
| C02 | C03 | C04 | H04A | 49.1° | 55.1° |
| C02 | C03 | C08 | O10 | 129.9° | 85.8° |
| C02 | C03 | C08 | O09 | 48.9° | 94.2° |
| C03 | C02 | C11 | O13 | 30.0° | 115.1° |
| C03 | C02 | C11 | O12 | 150.4° | 64.9° |
| H02 | C02 | C03 | C08 | 106.8° | 55.1° |
| H02 | C02 | C03 | C04 | 18.2° | 175.0° |
| H02 | C02 | C03 | H03 | 134.9° | 64.9° |
| H02 | C02 | C11 | O13 | 152.6° | 124.9° |
| H02 | C02 | C11 | O12 | 27.8° | 55.1° |
| C08 | C03 | C04 | H03 | 118.0° | 120.0° |
| C08 | C03 | C04 | C05 | 65.4° | 65.1° |
| C08 | C03 | C04 | H04 | 54.9° | 55.0° |
| C08 | C03 | C04 | H04A | 174.4° | 175.0° |
| C03 | C08 | O10 | O09 | 178.7° | 180.0° |
| C03 | C08 | O09 | HO09 | 178.7° | 180.0° |
| C03 | C04 | C05 | H04 | 120.2° | 120.1° |
| C03 | C04 | C05 | H04A | 120.2° | 119.9° |
| C03 | C04 | H04 | H04A | 119.2° | 119.9° |
| C03 | C04 | C05 | O06 | 0.0° | 0.1° |
| C03 | C04 | C05 | O07 | 179.6° | 180.0° |
| C04 | C03 | C08 | O10 | 106.3° | 34.2° |
| C04 | C03 | C08 | O09 | 75.0° | 145.8° |
| H03 | C03 | C04 | C05 | 52.6° | 54.9° |
| H03 | C03 | C04 | H04 | 172.9° | 175.0° |
| H03 | C03 | C04 | H04A | 67.6° | 65.0° |
| H03 | C03 | C08 | O10 | 11.6° | 154.1° |
| H03 | C03 | C08 | O09 | 167.1° | 25.9° |
| C05 | C04 | H04 | H04A | 119.2° | 120.0° |
| C04 | C05 | O06 | O07 | 179.6° | 179.9° |
| C04 | C05 | O07 | HO07 | 179.6° | 180.0° |
| H04 | C04 | C05 | O06 | 120.2° | 120.0° |
| H04 | C04 | C05 | O07 | 59.4° | 59.9° |
| H04A | C04 | C05 | O06 | 120.3° | 120.0° |
| H04A | C04 | C05 | O07 | 60.1° | 60.1° |
| O06 | C05 | O07 | HO07 | 0.0° | 0.1° |
| O10 | C08 | O09 | HO09 | 0.0° | 0.0° |
| O13 | C11 | O12 | HO12 | 0.0° | 0.0° |
