UMH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C13 | doub | 1.21Å | 1.22Å | |
| C13 | O14 | sing | 1.35Å | 1.23Å | |
| C13 | C07 | sing | 1.48Å | 1.54Å | |
| C07 | C08 | doub | 1.41Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.36Å | Aromatic |
| C08 | N09 | sing | 1.31Å | 1.34Å | Aromatic |
| C06 | C05 | doub | 1.41Å | 1.44Å | Aromatic |
| N09 | C10 | doub | 1.34Å | 1.37Å | Aromatic |
| C05 | C10 | sing | 1.42Å | 1.37Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.43Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.37Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.38Å | Aromatic |
| C03 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.40Å | |
| O02 | C01 | sing | 1.43Å | 1.43Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| O14 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C13 | O14 | 122.8° | 120.0° |
| O15 | C13 | C07 | 119.6° | 120.0° |
| O14 | C13 | C07 | 117.6° | 119.9° |
| C13 | O14 | H9 | 109.5° | 116.9° |
| C13 | C07 | C08 | 117.9° | 120.3° |
| C13 | C07 | C06 | 124.3° | 120.2° |
| C08 | C07 | C06 | 117.8° | 119.4° |
| C07 | C08 | N09 | 122.9° | 121.6° |
| C07 | C08 | H6 | 118.5° | 119.2° |
| C07 | C06 | C05 | 121.3° | 118.0° |
| C07 | C06 | H5 | 119.3° | 121.0° |
| C08 | N09 | C10 | 119.1° | 121.7° |
| N09 | C08 | H6 | 118.5° | 119.2° |
| C06 | C05 | C10 | 116.6° | 119.1° |
| C06 | C05 | C04 | 125.0° | 121.2° |
| C05 | C06 | H5 | 119.4° | 121.0° |
| N09 | C10 | C05 | 122.3° | 120.2° |
| N09 | C10 | C11 | 117.6° | 120.8° |
| C10 | C05 | C04 | 118.4° | 119.7° |
| C05 | C10 | C11 | 120.1° | 119.1° |
| C05 | C04 | C03 | 120.7° | 119.6° |
| C05 | C04 | H4 | 119.6° | 120.2° |
| C10 | C11 | C12 | 122.0° | 119.9° |
| C10 | C11 | H7 | 119.0° | 120.1° |
| C04 | C03 | C12 | 120.0° | 120.7° |
| C04 | C03 | O02 | 122.1° | 119.6° |
| C03 | C04 | H4 | 119.7° | 120.2° |
| C11 | C12 | C03 | 118.8° | 121.0° |
| C12 | C11 | H7 | 119.0° | 120.0° |
| C11 | C12 | H8 | 120.6° | 119.5° |
| C12 | C03 | O02 | 117.9° | 119.7° |
| C03 | C12 | H8 | 120.6° | 119.5° |
| C03 | O02 | C01 | 116.7° | 117.0° |
| O02 | C01 | H1 | 109.5° | 109.5° |
| O02 | C01 | H2 | 109.4° | 109.4° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C13 | O14 | C07 | 178.4° | 180.0° |
| O15 | C13 | C07 | C08 | 33.0° | 180.0° |
| O15 | C13 | C07 | C06 | 149.5° | 0.0° |
| O15 | C13 | O14 | H9 | 0.0° | 0.0° |
| O14 | C13 | C07 | C08 | 145.4° | 0.0° |
| O14 | C13 | C07 | C06 | 32.0° | 180.0° |
| C13 | C07 | C08 | C06 | 177.7° | 180.0° |
| C13 | C07 | C08 | N09 | 177.4° | 179.7° |
| C13 | C07 | C06 | C05 | 178.1° | 180.0° |
| C13 | C07 | C06 | H5 | 1.9° | 0.0° |
| C13 | C07 | C08 | H6 | 2.6° | 0.0° |
| C07 | C13 | O14 | H9 | 178.4° | 180.0° |
| C07 | C08 | N09 | H6 | 180.0° | 179.8° |
| C08 | C07 | C06 | C05 | 0.6° | 0.0° |
| C07 | C08 | N09 | C10 | 1.3° | 0.6° |
| C08 | C07 | C06 | H5 | 179.4° | 180.0° |
| C06 | C07 | C08 | N09 | 0.3° | 0.3° |
| C07 | C06 | C05 | H5 | 180.0° | 180.0° |
| C07 | C06 | C05 | C10 | 0.4° | 0.0° |
| C07 | C06 | C05 | C04 | 179.8° | 180.0° |
| C06 | C07 | C08 | H6 | 179.7° | 179.9° |
| C08 | N09 | C10 | C05 | 1.4° | 0.6° |
| C08 | N09 | C10 | C11 | 178.6° | 179.7° |
| C06 | C05 | C10 | N09 | 0.6° | 0.3° |
| C06 | C05 | C10 | C04 | 179.8° | 180.0° |
| C06 | C05 | C10 | C11 | 179.5° | 180.0° |
| C06 | C05 | C04 | C03 | 180.0° | 180.0° |
| C06 | C05 | C04 | H4 | 0.0° | 0.1° |
| N09 | C10 | C05 | C11 | 179.9° | 179.7° |
| N09 | C10 | C05 | C04 | 179.2° | 179.8° |
| N09 | C10 | C11 | C12 | 179.5° | 179.8° |
| C10 | N09 | C08 | H6 | 178.7° | 179.7° |
| N09 | C10 | C11 | H7 | 0.5° | 0.3° |
| C10 | C05 | C04 | C03 | 0.2° | 0.0° |
| C05 | C10 | C11 | C12 | 0.5° | 0.0° |
| C10 | C05 | C04 | H4 | 179.8° | 180.0° |
| C10 | C05 | C06 | H5 | 179.6° | 180.0° |
| C05 | C10 | C11 | H7 | 179.5° | 180.0° |
| C04 | C05 | C10 | C11 | 0.7° | 0.0° |
| C05 | C04 | C03 | H4 | 180.0° | 179.9° |
| C05 | C04 | C03 | C12 | 0.6° | 0.0° |
| C05 | C04 | C03 | O02 | 179.8° | 180.0° |
| C04 | C05 | C06 | H5 | 0.2° | 0.0° |
| C10 | C11 | C12 | H7 | 180.0° | 179.9° |
| C10 | C11 | C12 | C03 | 0.3° | 0.0° |
| C10 | C11 | C12 | H8 | 179.6° | 179.9° |
| C04 | C03 | C12 | C11 | 0.9° | 0.0° |
| C04 | C03 | C12 | O02 | 179.2° | 180.0° |
| C04 | C03 | O02 | C01 | 147.4° | 180.0° |
| C04 | C03 | C12 | H8 | 179.1° | 179.9° |
| C11 | C12 | C03 | H8 | 180.0° | 180.0° |
| C11 | C12 | C03 | O02 | 179.9° | 180.0° |
| C12 | C03 | O02 | C01 | 33.4° | 0.0° |
| C12 | C03 | C04 | H4 | 179.4° | 180.0° |
| C03 | C12 | C11 | H7 | 179.7° | 180.0° |
| C03 | O02 | C01 | H1 | 180.0° | 59.9° |
| C03 | O02 | C01 | H2 | 60.0° | 60.0° |
| C03 | O02 | C01 | H3 | 60.0° | 180.0° |
| O02 | C03 | C04 | H4 | 0.2° | 0.0° |
| O02 | C03 | C12 | H8 | 0.1° | 0.1° |
| O02 | C01 | H1 | H2 | 120.0° | 119.9° |
| O02 | C01 | H1 | H3 | 120.0° | 120.1° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H7 | C11 | C12 | H8 | 0.4° | 0.0° |
