A1MBO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.55Å | 1.44Å | |
| C03 | C04 | sing | 1.55Å | 1.38Å | |
| C02 | N01 | sing | 1.47Å | 1.39Å | |
| C04 | C05 | sing | 1.54Å | 1.41Å | |
| N01 | C05 | sing | 1.47Å | 1.37Å | |
| N01 | C06 | sing | 1.35Å | 1.34Å | |
| O07 | C06 | doub | 1.22Å | 1.27Å | |
| C06 | O08 | sing | 1.35Å | 1.29Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| O08 | H5 | sing | 0.97Å | 0.95Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C03 | C04 | 109.3° | 101.6° |
| C03 | C02 | N01 | 103.5° | 104.9° |
| C03 | C02 | H1 | 110.9° | 110.3° |
| C02 | C03 | H2 | 109.5° | 111.0° |
| C03 | C02 | H6 | 110.9° | 110.4° |
| C02 | C03 | H7 | 109.5° | 111.0° |
| C03 | C04 | C05 | 108.4° | 103.0° |
| C04 | C03 | H2 | 109.5° | 111.1° |
| C03 | C04 | H3 | 109.7° | 110.7° |
| C04 | C03 | H7 | 109.5° | 111.0° |
| C03 | C04 | H8 | 109.7° | 110.7° |
| C02 | N01 | C05 | 112.7° | 108.7° |
| C02 | N01 | C06 | 121.3° | 125.7° |
| N01 | C02 | H1 | 111.0° | 110.4° |
| N01 | C02 | H6 | 111.0° | 110.4° |
| C04 | C05 | N01 | 106.1° | 107.3° |
| C05 | C04 | H3 | 109.8° | 110.7° |
| C04 | C05 | H4 | 110.3° | 109.7° |
| C05 | C04 | H8 | 109.8° | 110.7° |
| C04 | C05 | H9 | 110.3° | 110.1° |
| C05 | N01 | C06 | 123.9° | 125.7° |
| N01 | C05 | H4 | 110.3° | 109.9° |
| N01 | C05 | H9 | 110.3° | 109.9° |
| N01 | C06 | O07 | 112.8° | 120.0° |
| N01 | C06 | O08 | 125.0° | 120.0° |
| O07 | C06 | O08 | 121.4° | 120.0° |
| C06 | O08 | H5 | 109.5° | 117.0° |
| H1 | C02 | H6 | 109.5° | 110.3° |
| H2 | C03 | H7 | 109.5° | 110.9° |
| H3 | C04 | H8 | 109.5° | 110.8° |
| H4 | C05 | H9 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C03 | C04 | H2 | 119.9° | 118.1° |
| C02 | C03 | C04 | H7 | 120.0° | 118.0° |
| C03 | C02 | N01 | H1 | 119.0° | 118.8° |
| C03 | C02 | N01 | H6 | 119.0° | 118.9° |
| C02 | C03 | C04 | C05 | 2.2° | 35.4° |
| C03 | C02 | N01 | C05 | 1.2° | 24.1° |
| C03 | C02 | N01 | C06 | 165.4° | 155.6° |
| C03 | C02 | H1 | H6 | 122.7° | 122.3° |
| C02 | C03 | H2 | H7 | 120.1° | 123.9° |
| C02 | C03 | C04 | H3 | 117.6° | 82.9° |
| C02 | C03 | C04 | H8 | 122.1° | 153.8° |
| C04 | C03 | C02 | N01 | 0.7° | 37.0° |
| C03 | C04 | C05 | H3 | 119.8° | 118.4° |
| C03 | C04 | C05 | H8 | 119.8° | 118.4° |
| C03 | C04 | C05 | N01 | 2.9° | 22.1° |
| C04 | C03 | C02 | H1 | 119.7° | 81.9° |
| C04 | C03 | H2 | H7 | 120.1° | 123.9° |
| C03 | C04 | H3 | H8 | 120.5° | 123.2° |
| C03 | C04 | C05 | H4 | 122.3° | 97.2° |
| C04 | C03 | C02 | H6 | 118.4° | 155.9° |
| C03 | C04 | C05 | H9 | 116.6° | 141.7° |
| C02 | N01 | C05 | C04 | 2.5° | 1.1° |
| C02 | N01 | C05 | C06 | 163.7° | 179.8° |
| C02 | N01 | C06 | O07 | 4.0° | 179.7° |
| C02 | N01 | C06 | O08 | 165.9° | 0.3° |
| N01 | C02 | H1 | H6 | 122.8° | 122.3° |
| N01 | C02 | C03 | H2 | 120.6° | 155.1° |
| C02 | N01 | C05 | H4 | 122.0° | 120.3° |
| N01 | C02 | C03 | H7 | 119.3° | 81.0° |
| C02 | N01 | C05 | H9 | 116.9° | 118.6° |
| C04 | C05 | N01 | H4 | 119.5° | 119.2° |
| C04 | C05 | N01 | H9 | 119.4° | 119.7° |
| C04 | C05 | N01 | C06 | 166.2° | 178.6° |
| C05 | C04 | C03 | H2 | 122.2° | 153.6° |
| C05 | C04 | H3 | H8 | 120.5° | 123.2° |
| C04 | C05 | H4 | H9 | 121.6° | 121.2° |
| C05 | C04 | C03 | H7 | 117.8° | 82.6° |
| C05 | N01 | C06 | O07 | 166.3° | 0.0° |
| C05 | N01 | C06 | O08 | 3.5° | 179.9° |
| C05 | N01 | C02 | H1 | 117.9° | 94.7° |
| N01 | C05 | C04 | H3 | 117.0° | 96.2° |
| N01 | C05 | H4 | H9 | 121.6° | 121.1° |
| C05 | N01 | C02 | H6 | 120.2° | 143.1° |
| N01 | C05 | C04 | H8 | 122.7° | 140.6° |
| N01 | C06 | O07 | O08 | 170.2° | 180.0° |
| C06 | N01 | C02 | H1 | 46.3° | 85.6° |
| C06 | N01 | C05 | H4 | 74.3° | 59.4° |
| N01 | C06 | O08 | H5 | 169.0° | 180.0° |
| C06 | N01 | C02 | H6 | 75.6° | 36.7° |
| C06 | N01 | C05 | H9 | 46.8° | 61.6° |
| O07 | C06 | O08 | H5 | 0.0° | 0.1° |
| H1 | C02 | C03 | H2 | 120.3° | 36.2° |
| H1 | C02 | C03 | H7 | 0.3° | 160.1° |
| H2 | C03 | C04 | H3 | 2.3° | 35.2° |
| H2 | C03 | C02 | H6 | 1.6° | 86.0° |
| H2 | C03 | C04 | H8 | 118.0° | 88.0° |
| H3 | C04 | C05 | H4 | 2.5° | 144.5° |
| H3 | C04 | C03 | H7 | 122.4° | 159.1° |
| H3 | C04 | C05 | H9 | 123.6° | 23.4° |
| H4 | C05 | C04 | H8 | 117.8° | 21.3° |
| H6 | C02 | C03 | H7 | 121.6° | 37.9° |
| H7 | C03 | C04 | H8 | 2.1° | 35.8° |
| H8 | C04 | C05 | H9 | 3.2° | 99.9° |






