AUM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C08 | doub | 1.21Å | 1.26Å | |
| C08 | O09 | sing | 1.34Å | 1.26Å | |
| C08 | C03 | sing | 1.51Å | 1.53Å | |
| C03 | N02 | sing | 1.47Å | 1.45Å | |
| N02 | C01 | sing | 1.46Å | 1.46Å | |
| N02 | N11 | sing | 1.29Å | 1.41Å | |
| O06 | P04 | doub | 1.48Å | 1.51Å | |
| C01 | P04 | sing | 1.82Å | 1.87Å | |
| O12 | N11 | doub | 1.22Å | 1.17Å | |
| P04 | O05 | sing | 1.61Å | 1.52Å | |
| P04 | O07 | sing | 1.61Å | 1.52Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| O05 | H5 | sing | 0.97Å | 0.95Å | |
| O07 | H6 | sing | 0.97Å | 0.95Å | |
| O09 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C08 | O09 | 120.3° | 120.0° |
| O10 | C08 | C03 | 119.8° | 120.0° |
| O09 | C08 | C03 | 119.9° | 120.0° |
| C08 | O09 | H7 | 109.5° | 117.0° |
| C08 | C03 | N02 | 110.5° | 109.5° |
| C08 | C03 | H3 | 109.2° | 109.5° |
| C08 | C03 | H4 | 109.2° | 109.4° |
| C03 | N02 | C01 | 119.1° | 120.0° |
| C03 | N02 | N11 | 118.9° | 120.0° |
| N02 | C03 | H3 | 109.2° | 109.5° |
| N02 | C03 | H4 | 109.2° | 109.5° |
| C01 | N02 | N11 | 118.7° | 120.0° |
| N02 | C01 | P04 | 108.0° | 109.4° |
| N02 | C01 | H1 | 109.8° | 109.5° |
| N02 | C01 | H2 | 109.8° | 109.5° |
| N02 | N11 | O12 | 120.6° | 120.0° |
| O06 | P04 | C01 | 108.1° | 109.4° |
| O06 | P04 | O05 | 107.9° | 109.5° |
| O06 | P04 | O07 | 110.5° | 109.5° |
| C01 | P04 | O05 | 112.1° | 109.5° |
| C01 | P04 | O07 | 108.7° | 109.4° |
| P04 | C01 | H1 | 109.8° | 109.5° |
| P04 | C01 | H2 | 109.8° | 109.4° |
| O05 | P04 | O07 | 109.4° | 109.5° |
| P04 | O05 | H5 | 109.5° | 114.0° |
| P04 | O07 | H6 | 109.5° | 114.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H3 | C03 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C08 | O09 | C03 | 179.9° | 179.9° |
| O10 | C08 | C03 | N02 | 105.4° | 0.1° |
| O10 | C08 | C03 | H3 | 14.8° | 120.0° |
| O10 | C08 | C03 | H4 | 134.5° | 120.0° |
| O10 | C08 | O09 | H7 | 0.0° | 0.0° |
| O09 | C08 | C03 | N02 | 74.7° | 180.0° |
| O09 | C08 | C03 | H3 | 165.1° | 60.0° |
| O09 | C08 | C03 | H4 | 45.4° | 60.0° |
| C08 | C03 | N02 | H3 | 120.2° | 120.1° |
| C08 | C03 | N02 | H4 | 120.1° | 120.0° |
| C08 | C03 | N02 | C01 | 126.9° | 90.0° |
| C08 | C03 | N02 | N11 | 73.7° | 89.9° |
| C08 | C03 | H3 | H4 | 119.6° | 120.0° |
| C03 | C08 | O09 | H7 | 179.9° | 179.9° |
| C03 | N02 | C01 | N11 | 159.4° | 180.0° |
| C03 | N02 | C01 | P04 | 51.3° | 90.0° |
| C03 | N02 | N11 | O12 | 121.2° | 180.0° |
| C03 | N02 | C01 | H1 | 171.1° | 150.0° |
| C03 | N02 | C01 | H2 | 68.4° | 29.9° |
| N02 | C03 | H3 | H4 | 119.5° | 120.0° |
| N02 | C01 | P04 | O06 | 73.0° | 55.0° |
| N02 | C01 | P04 | H1 | 119.7° | 120.0° |
| N02 | C01 | P04 | H2 | 119.7° | 119.9° |
| C01 | N02 | N11 | O12 | 79.3° | 0.1° |
| N02 | C01 | P04 | O05 | 168.1° | 65.0° |
| N02 | C01 | P04 | O07 | 47.0° | 175.0° |
| N02 | C01 | H1 | H2 | 120.7° | 120.0° |
| C01 | N02 | C03 | H3 | 6.7° | 30.0° |
| C01 | N02 | C03 | H4 | 113.0° | 150.0° |
| N11 | N02 | C01 | P04 | 108.1° | 90.0° |
| N11 | N02 | C01 | H1 | 11.6° | 30.0° |
| N11 | N02 | C01 | H2 | 132.1° | 150.0° |
| N11 | N02 | C03 | H3 | 166.1° | 150.0° |
| N11 | N02 | C03 | H4 | 46.4° | 30.0° |
| O06 | P04 | C01 | O05 | 118.9° | 120.0° |
| O06 | P04 | C01 | O07 | 120.0° | 120.0° |
| O06 | P04 | O05 | O07 | 120.3° | 120.1° |
| O06 | P04 | C01 | H1 | 167.3° | 65.0° |
| O06 | P04 | C01 | H2 | 46.7° | 175.0° |
| O06 | P04 | O05 | H5 | 0.0° | 179.9° |
| O06 | P04 | O07 | H6 | 0.0° | 60.0° |
| C01 | P04 | O05 | O07 | 120.7° | 120.0° |
| P04 | C01 | H1 | H2 | 120.7° | 120.0° |
| C01 | P04 | O05 | H5 | 119.0° | 60.0° |
| C01 | P04 | O07 | H6 | 118.5° | 180.0° |
| O05 | P04 | C01 | H1 | 48.4° | 175.0° |
| O05 | P04 | C01 | H2 | 72.2° | 54.9° |
| O05 | P04 | O07 | H6 | 118.7° | 60.0° |
| O07 | P04 | C01 | H1 | 72.7° | 55.0° |
| O07 | P04 | C01 | H2 | 166.7° | 65.1° |
| O07 | P04 | O05 | H5 | 120.3° | 60.0° |
