A1MBN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C04 | O10 | sing | 1.43Å | 1.40Å | |
| C04 | C06 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | sing | 1.51Å | 1.53Å | |
| C07 | O09 | doub | 1.21Å | 1.26Å | |
| C07 | O08 | sing | 1.34Å | 1.26Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| O08 | H13 | sing | 0.97Å | 0.95Å | |
| O10 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 112.3° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.8° | 109.4° |
| C01 | C02 | H5 | 108.8° | 109.5° |
| C02 | C03 | C04 | 112.0° | 109.5° |
| C03 | C02 | H4 | 108.8° | 109.4° |
| C03 | C02 | H5 | 108.8° | 109.5° |
| C02 | C03 | H6 | 108.8° | 109.4° |
| C02 | C03 | H7 | 108.8° | 109.5° |
| C03 | C04 | C05 | 109.2° | 109.5° |
| C03 | C04 | O10 | 109.7° | 109.4° |
| C03 | C04 | C06 | 109.7° | 109.5° |
| C04 | C03 | H6 | 108.8° | 109.5° |
| C04 | C03 | H7 | 108.9° | 109.5° |
| C05 | C04 | O10 | 109.5° | 109.5° |
| C05 | C04 | C06 | 109.4° | 109.5° |
| C04 | C05 | H8 | 109.5° | 109.5° |
| C04 | C05 | H9 | 109.5° | 109.5° |
| C04 | C05 | H10 | 109.5° | 109.5° |
| O10 | C04 | C06 | 109.3° | 109.5° |
| C04 | O10 | H14 | 109.5° | 114.0° |
| C04 | C06 | C07 | 111.8° | 109.5° |
| C04 | C06 | H11 | 108.9° | 109.5° |
| C04 | C06 | H12 | 108.9° | 109.4° |
| C06 | C07 | O09 | 120.0° | 119.9° |
| C06 | C07 | O08 | 120.0° | 120.1° |
| C07 | C06 | H11 | 108.9° | 109.5° |
| C07 | C06 | H12 | 108.9° | 109.5° |
| O09 | C07 | O08 | 120.0° | 120.0° |
| C07 | O08 | H13 | 109.5° | 117.1° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.4° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H8 | C05 | H9 | 109.5° | 109.5° |
| H8 | C05 | H10 | 109.5° | 109.4° |
| H9 | C05 | H10 | 109.5° | 109.5° |
| H11 | C06 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H4 | 120.4° | 120.0° |
| C01 | C02 | C03 | H5 | 120.4° | 120.0° |
| C01 | C02 | C03 | C04 | 177.4° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 118.7° | 120.0° |
| C01 | C02 | C03 | H6 | 62.2° | 60.0° |
| C01 | C02 | C03 | H7 | 57.0° | 60.0° |
| C02 | C03 | C04 | H6 | 120.4° | 120.0° |
| C02 | C03 | C04 | H7 | 120.4° | 120.0° |
| C02 | C03 | C04 | C05 | 60.8° | 55.0° |
| C02 | C03 | C04 | O10 | 179.1° | 65.0° |
| C02 | C03 | C04 | C06 | 59.1° | 175.0° |
| C03 | C02 | C01 | H1 | 180.0° | 180.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | H4 | H5 | 118.7° | 120.0° |
| C02 | C03 | H6 | H7 | 118.8° | 120.0° |
| C03 | C04 | C05 | O10 | 120.2° | 119.9° |
| C03 | C04 | C05 | C06 | 120.1° | 120.1° |
| C03 | C04 | O10 | C06 | 120.3° | 120.0° |
| C03 | C04 | C06 | C07 | 173.0° | 180.0° |
| C04 | C03 | C02 | H4 | 57.0° | 60.0° |
| C04 | C03 | C02 | H5 | 62.2° | 60.0° |
| C04 | C03 | H6 | H7 | 118.9° | 120.0° |
| C03 | C04 | C05 | H8 | 180.0° | 59.9° |
| C03 | C04 | C05 | H9 | 60.0° | 180.0° |
| C03 | C04 | C05 | H10 | 60.0° | 60.0° |
| C03 | C04 | C06 | H11 | 52.7° | 59.9° |
| C03 | C04 | C06 | H12 | 66.6° | 60.0° |
| C03 | C04 | O10 | H14 | 142.4° | 60.0° |
| C05 | C04 | O10 | C06 | 119.8° | 120.0° |
| C05 | C04 | C06 | C07 | 67.1° | 60.0° |
| C05 | C04 | C03 | H6 | 59.5° | 175.0° |
| C05 | C04 | C03 | H7 | 178.8° | 65.0° |
| C04 | C05 | H8 | H9 | 120.0° | 120.1° |
| C04 | C05 | H8 | H10 | 120.0° | 120.0° |
| C04 | C05 | H9 | H10 | 120.0° | 120.0° |
| C05 | C04 | C06 | H11 | 172.5° | 180.0° |
| C05 | C04 | C06 | H12 | 53.2° | 60.0° |
| C05 | C04 | O10 | H14 | 97.7° | 180.0° |
| O10 | C04 | C06 | C07 | 52.7° | 60.0° |
| O10 | C04 | C03 | H6 | 60.5° | 55.0° |
| O10 | C04 | C03 | H7 | 58.7° | 175.0° |
| O10 | C04 | C05 | H8 | 59.8° | 60.0° |
| O10 | C04 | C05 | H9 | 179.8° | 60.0° |
| O10 | C04 | C05 | H10 | 60.2° | 179.9° |
| O10 | C04 | C06 | H11 | 67.7° | 60.0° |
| O10 | C04 | C06 | H12 | 173.1° | 180.0° |
| C04 | C06 | C07 | H11 | 120.4° | 120.1° |
| C04 | C06 | C07 | H12 | 120.4° | 120.0° |
| C04 | C06 | C07 | O09 | 72.6° | 0.1° |
| C04 | C06 | C07 | O08 | 107.1° | 180.0° |
| C06 | C04 | C03 | H6 | 179.4° | 65.0° |
| C06 | C04 | C03 | H7 | 61.3° | 55.0° |
| C06 | C04 | C05 | H8 | 59.9° | 180.0° |
| C06 | C04 | C05 | H9 | 60.1° | 60.0° |
| C06 | C04 | C05 | H10 | 179.9° | 60.1° |
| C04 | C06 | H11 | H12 | 118.9° | 119.9° |
| C06 | C04 | O10 | H14 | 22.0° | 60.0° |
| C06 | C07 | O09 | O08 | 179.6° | 180.0° |
| C07 | C06 | H11 | H12 | 118.9° | 120.0° |
| C06 | C07 | O08 | H13 | 179.6° | 180.0° |
| O09 | C07 | C06 | H11 | 47.8° | 120.0° |
| O09 | C07 | C06 | H12 | 167.1° | 120.0° |
| O09 | C07 | O08 | H13 | 0.0° | 0.0° |
| O08 | C07 | C06 | H11 | 132.6° | 59.9° |
| O08 | C07 | C06 | H12 | 13.3° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.6° | 60.0° |
| H1 | C01 | C02 | H5 | 59.6° | 60.0° |
| H2 | C01 | C02 | H4 | 60.4° | 60.0° |
| H2 | C01 | C02 | H5 | 179.6° | NaN° |
| H3 | C01 | C02 | H4 | 179.6° | 180.0° |
| H3 | C01 | C02 | H5 | 60.4° | 60.0° |
| H4 | C02 | C03 | H6 | 177.4° | 180.0° |
| H4 | C02 | C03 | H7 | 63.4° | 60.0° |
| H5 | C02 | C03 | H6 | 58.2° | 60.0° |
| H5 | C02 | C03 | H7 | 177.4° | 180.0° |
| H8 | C05 | H9 | H10 | 120.0° | 119.9° |
