UM9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C5 | sing | 1.43Å | 1.43Å | |
| O2 | C4 | sing | 1.43Å | 1.44Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.49Å | |
| C7 | O4 | sing | 1.43Å | 1.43Å | |
| C6 | O5 | sing | 1.43Å | 1.43Å | |
| C3 | N1 | sing | 1.46Å | 1.44Å | |
| C3 | C8 | sing | 1.53Å | 1.55Å | |
| O5 | C8 | sing | 1.43Å | 1.42Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| C8 | O6 | sing | 1.43Å | 1.39Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.51Å | 1.48Å | |
| O6 | C9 | sing | 1.43Å | 1.44Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C10 | C13 | sing | 1.51Å | 1.50Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| O7 | C13 | doub | 1.21Å | 1.24Å | |
| C13 | C14 | sing | 1.51Å | 1.49Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| N1 | H15 | sing | 0.97Å | 1.00Å | |
| O2 | H16 | sing | 0.97Å | 0.95Å | |
| O3 | H17 | sing | 0.97Å | 0.95Å | |
| O4 | H18 | sing | 0.97Å | 0.95Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C5 | C4 | 110.6° | 109.5° |
| O3 | C5 | C6 | 108.7° | 109.6° |
| O3 | C5 | H10 | 109.8° | 109.6° |
| C5 | O3 | H17 | 109.5° | 114.0° |
| O2 | C4 | C5 | 112.1° | 109.7° |
| O2 | C4 | C3 | 111.1° | 109.5° |
| O2 | C4 | H9 | 108.4° | 109.5° |
| C4 | O2 | H16 | 109.5° | 114.0° |
| C4 | C5 | C6 | 111.0° | 109.2° |
| C5 | C4 | C3 | 110.5° | 109.0° |
| C5 | C4 | H9 | 107.3° | 109.6° |
| C4 | C5 | H10 | 108.4° | 109.5° |
| C5 | C6 | C7 | 112.7° | 109.5° |
| C5 | C6 | O5 | 110.0° | 109.4° |
| C6 | C5 | H10 | 108.3° | 109.5° |
| C5 | C6 | H11 | 108.9° | 109.5° |
| C4 | C3 | N1 | 109.1° | 109.5° |
| C4 | C3 | C8 | 108.7° | 109.2° |
| C4 | C3 | H8 | 107.8° | 109.6° |
| C3 | C4 | H9 | 107.3° | 109.5° |
| C6 | C7 | O4 | 111.4° | 109.5° |
| C7 | C6 | O5 | 105.2° | 109.5° |
| C6 | C7 | H6 | 109.0° | 109.4° |
| C6 | C7 | H7 | 109.0° | 109.5° |
| C7 | C6 | H11 | 109.6° | 109.5° |
| O4 | C7 | H6 | 109.0° | 109.5° |
| O4 | C7 | H7 | 109.0° | 109.5° |
| C7 | O4 | H18 | 109.5° | 114.0° |
| C6 | O5 | C8 | 112.2° | 114.1° |
| O5 | C6 | H11 | 110.3° | 109.5° |
| N1 | C3 | C8 | 114.6° | 109.5° |
| C3 | N1 | C2 | 126.7° | 120.0° |
| N1 | C3 | H8 | 108.9° | 109.5° |
| C3 | N1 | H15 | 116.6° | 120.0° |
| C3 | C8 | O5 | 110.7° | 109.4° |
| C3 | C8 | O6 | 110.4° | 109.5° |
| C8 | C3 | H8 | 107.5° | 109.5° |
| C3 | C8 | H19 | 107.5° | 109.4° |
| O5 | C8 | O6 | 109.4° | 109.5° |
| O5 | C8 | H19 | 109.1° | 109.4° |
| N1 | C2 | O1 | 122.5° | 120.0° |
| N1 | C2 | C1 | 116.5° | 120.0° |
| C2 | N1 | H15 | 116.7° | 120.0° |
| C8 | O6 | C9 | 112.8° | 114.0° |
| O6 | C8 | H19 | 109.7° | 109.5° |
| O1 | C2 | C1 | 121.0° | 120.0° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.4° | 109.5° |
| C2 | C1 | H14 | 109.4° | 109.5° |
| O6 | C9 | C10 | 112.2° | 109.5° |
| O6 | C9 | H4 | 108.8° | 109.5° |
| O6 | C9 | H5 | 108.8° | 109.4° |
| C9 | C10 | C11 | 117.6° | 109.5° |
| C9 | C10 | C13 | 106.0° | 109.4° |
| C9 | C10 | C12 | 108.2° | 109.5° |
| C10 | C9 | H4 | 108.8° | 109.5° |
| C10 | C9 | H5 | 108.8° | 109.5° |
| C11 | C10 | C13 | 103.2° | 109.4° |
| C11 | C10 | C12 | 109.4° | 109.5° |
| C10 | C11 | H20 | 109.5° | 109.4° |
| C10 | C11 | H21 | 109.5° | 109.5° |
| C10 | C11 | H22 | 109.5° | 109.5° |
| C13 | C10 | C12 | 112.4° | 109.5° |
| C10 | C13 | O7 | 119.2° | 120.0° |
| C10 | C13 | C14 | 116.9° | 120.0° |
| C10 | C12 | H1 | 109.5° | 109.5° |
| C10 | C12 | H2 | 109.5° | 109.5° |
| C10 | C12 | H3 | 109.4° | 109.4° |
| O7 | C13 | C14 | 123.5° | 120.0° |
| C13 | C14 | H23 | 109.5° | 109.4° |
| C13 | C14 | H24 | 109.5° | 109.5° |
| C13 | C14 | H25 | 109.5° | 109.5° |
| H1 | C12 | H2 | 109.4° | 109.4° |
| H1 | C12 | H3 | 109.5° | 109.5° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H4 | C9 | H5 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.4° |
| H12 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.4° |
| H20 | C11 | H22 | 109.4° | 109.4° |
| H21 | C11 | H22 | 109.4° | 109.5° |
| H23 | C14 | H24 | 109.4° | 109.5° |
| H23 | C14 | H25 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C5 | C4 | O2 | 62.4° | 63.2° |
| O3 | C5 | C4 | C6 | 120.7° | 119.9° |
| O3 | C5 | C4 | H10 | 120.4° | 120.2° |
| O3 | C5 | C6 | H10 | 119.3° | 120.2° |
| O3 | C5 | C4 | C3 | 173.1° | 176.9° |
| O3 | C5 | C6 | C7 | 66.1° | 62.5° |
| O3 | C5 | C6 | O5 | 176.7° | 177.5° |
| O3 | C5 | C4 | H9 | 56.5° | 57.0° |
| O3 | C5 | C6 | H11 | 55.7° | 57.5° |
| O2 | C4 | C5 | C3 | 124.5° | 119.9° |
| O2 | C4 | C5 | H9 | 118.9° | 120.2° |
| O2 | C4 | C5 | C6 | 176.9° | 176.9° |
| O2 | C4 | C3 | H9 | 118.3° | 120.1° |
| O2 | C4 | C3 | N1 | 56.4° | 63.1° |
| O2 | C4 | C3 | C8 | 178.0° | 176.9° |
| O2 | C4 | C3 | H8 | 61.7° | 57.0° |
| O2 | C4 | C5 | H10 | 58.0° | 57.0° |
| C4 | C5 | C6 | H10 | 118.9° | 119.9° |
| C5 | C4 | C3 | H9 | 116.6° | 119.9° |
| C4 | C5 | C6 | C7 | 172.1° | 177.6° |
| C4 | C5 | C6 | O5 | 54.9° | 57.6° |
| C5 | C4 | C3 | N1 | 178.5° | 176.9° |
| C5 | C4 | C3 | C8 | 52.9° | 56.9° |
| C5 | C4 | C3 | H8 | 63.4° | 63.0° |
| C4 | C5 | C6 | H11 | 66.1° | 62.4° |
| C5 | C4 | O2 | H16 | 180.0° | 60.4° |
| C4 | C5 | O3 | H17 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 52.4° | 56.9° |
| C5 | C6 | C7 | O5 | 119.9° | 119.9° |
| C5 | C6 | C7 | H11 | 121.4° | 120.0° |
| C5 | C6 | C7 | O4 | 173.2° | 175.0° |
| C5 | C6 | O5 | H11 | 120.2° | 120.0° |
| C5 | C6 | O5 | C8 | 61.0° | 61.1° |
| C5 | C6 | C7 | H6 | 52.9° | 55.0° |
| C5 | C6 | C7 | H7 | 66.5° | 65.0° |
| C6 | C5 | C4 | H9 | 64.3° | 62.9° |
| C6 | C5 | O3 | H17 | 57.9° | 60.3° |
| C4 | C3 | N1 | C8 | 122.2° | 119.8° |
| C4 | C3 | N1 | H8 | 117.4° | 120.1° |
| C4 | C3 | C8 | H8 | 116.5° | 120.0° |
| C4 | C3 | C8 | O5 | 58.2° | 57.5° |
| C4 | C3 | N1 | C2 | 122.9° | 155.3° |
| C4 | C3 | C8 | O6 | 179.5° | 177.6° |
| C3 | C4 | C5 | H10 | 66.5° | 63.0° |
| C4 | C3 | N1 | H15 | 57.1° | 24.8° |
| C3 | C4 | O2 | H16 | 55.9° | 180.0° |
| C4 | C3 | C8 | H19 | 61.0° | 62.4° |
| C6 | C7 | O4 | H6 | 120.3° | 120.0° |
| C6 | C7 | O4 | H7 | 120.3° | 120.0° |
| C7 | C6 | O5 | H11 | 118.1° | 120.0° |
| C7 | C6 | O5 | C8 | 177.3° | 178.9° |
| C6 | C7 | H6 | H7 | 119.2° | 120.0° |
| C7 | C6 | C5 | H10 | 53.2° | 57.7° |
| C6 | C7 | O4 | H18 | 180.0° | 180.0° |
| O4 | C7 | C6 | O5 | 66.8° | 65.1° |
| O4 | C7 | H6 | H7 | 119.1° | 120.0° |
| O4 | C7 | C6 | H11 | 51.8° | 54.9° |
| C6 | O5 | C8 | C3 | 63.4° | 61.1° |
| C6 | O5 | C8 | O6 | 174.8° | 178.8° |
| O5 | C6 | C7 | H6 | 172.9° | 174.9° |
| O5 | C6 | C7 | H7 | 53.4° | 55.0° |
| O5 | C6 | C5 | H10 | 64.0° | 62.3° |
| C6 | O5 | C8 | H19 | 54.8° | 58.8° |
| N1 | C3 | C8 | H8 | 121.2° | 120.1° |
| N1 | C3 | C8 | O5 | 179.4° | 177.5° |
| C3 | N1 | C2 | H15 | 180.0° | 179.9° |
| N1 | C3 | C8 | O6 | 58.2° | 62.5° |
| C3 | N1 | C2 | O1 | 3.1° | 0.1° |
| C3 | N1 | C2 | C1 | 175.0° | 179.9° |
| N1 | C3 | C4 | H9 | 61.9° | 57.1° |
| N1 | C3 | C8 | H19 | 61.4° | 57.6° |
| C3 | C8 | O5 | O6 | 121.8° | 120.1° |
| C3 | C8 | O5 | H19 | 118.2° | 119.9° |
| C8 | C3 | N1 | C2 | 115.0° | 84.9° |
| C3 | C8 | O6 | H19 | 118.3° | 120.0° |
| C3 | C8 | O6 | C9 | 161.1° | 175.0° |
| C8 | C3 | C4 | H9 | 63.7° | 62.9° |
| C8 | C3 | N1 | H15 | 65.1° | 95.0° |
| O5 | C8 | O6 | H19 | 119.6° | 120.0° |
| O5 | C8 | O6 | C9 | 76.8° | 65.1° |
| O5 | C8 | C3 | H8 | 58.2° | 62.4° |
| C8 | O5 | C6 | H11 | 59.1° | 58.9° |
| N1 | C2 | O1 | C1 | 178.0° | 180.0° |
| C2 | N1 | C3 | H8 | 5.5° | 35.2° |
| N1 | C2 | C1 | H12 | 178.1° | 90.0° |
| N1 | C2 | C1 | H13 | 61.9° | 30.0° |
| N1 | C2 | C1 | H14 | 58.1° | 150.0° |
| C8 | O6 | C9 | C10 | 120.5° | 180.0° |
| C8 | O6 | C9 | H4 | 0.1° | 60.0° |
| C8 | O6 | C9 | H5 | 119.0° | 60.0° |
| O6 | C8 | C3 | H8 | 63.0° | 57.6° |
| O1 | C2 | C1 | H12 | 0.0° | 90.0° |
| O1 | C2 | C1 | H13 | 120.0° | 150.0° |
| O1 | C2 | C1 | H14 | 120.0° | 30.0° |
| O1 | C2 | N1 | H15 | 176.9° | 180.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C1 | C2 | N1 | H15 | 5.1° | 0.0° |
| O6 | C9 | C10 | H4 | 120.4° | 120.0° |
| O6 | C9 | C10 | H5 | 120.4° | 120.0° |
| O6 | C9 | C10 | C11 | 61.6° | 60.0° |
| O6 | C9 | C10 | C13 | 53.1° | 180.0° |
| O6 | C9 | C10 | C12 | 173.9° | 60.0° |
| O6 | C9 | H4 | H5 | 118.8° | 120.0° |
| C9 | O6 | C8 | H19 | 42.8° | 55.0° |
| C9 | C10 | C11 | C13 | 116.2° | 120.0° |
| C9 | C10 | C11 | C12 | 124.0° | 120.0° |
| C9 | C10 | C13 | C12 | 118.0° | 120.0° |
| C9 | C10 | C13 | O7 | 118.8° | 0.0° |
| C9 | C10 | C13 | C14 | 55.0° | 180.0° |
| C9 | C10 | C12 | H1 | 180.0° | 60.0° |
| C9 | C10 | C12 | H2 | 60.0° | 179.9° |
| C9 | C10 | C12 | H3 | 60.0° | 60.0° |
| C10 | C9 | H4 | H5 | 118.8° | 120.1° |
| C9 | C10 | C11 | H20 | 180.0° | 60.0° |
| C9 | C10 | C11 | H21 | 60.0° | 180.0° |
| C9 | C10 | C11 | H22 | 60.0° | 59.9° |
| C11 | C10 | C13 | C12 | 117.7° | 120.0° |
| C11 | C10 | C13 | O7 | 5.5° | 120.0° |
| C11 | C10 | C13 | C14 | 179.2° | 60.0° |
| C11 | C10 | C12 | H1 | 50.7° | 179.9° |
| C11 | C10 | C12 | H2 | 69.3° | 60.0° |
| C11 | C10 | C12 | H3 | 170.7° | 60.0° |
| C11 | C10 | C9 | H4 | 58.8° | 59.9° |
| C11 | C10 | C9 | H5 | 178.0° | 180.0° |
| C10 | C11 | H20 | H21 | 120.0° | 120.0° |
| C10 | C11 | H20 | H22 | 120.0° | 120.0° |
| C10 | C11 | H21 | H22 | 120.0° | 120.1° |
| C10 | C13 | O7 | C14 | 173.3° | 180.0° |
| C13 | C10 | C12 | H1 | 63.4° | 60.0° |
| C13 | C10 | C12 | H2 | 176.7° | 60.0° |
| C13 | C10 | C12 | H3 | 56.7° | 180.0° |
| C13 | C10 | C9 | H4 | 173.5° | 60.0° |
| C13 | C10 | C9 | H5 | 67.3° | 60.0° |
| C13 | C10 | C11 | H20 | 63.8° | 180.0° |
| C13 | C10 | C11 | H21 | 56.3° | 60.1° |
| C13 | C10 | C11 | H22 | 176.2° | 60.1° |
| C10 | C13 | C14 | H23 | 173.5° | 0.0° |
| C10 | C13 | C14 | H24 | 66.5° | 120.0° |
| C10 | C13 | C14 | H25 | 53.4° | 120.0° |
| C12 | C10 | C13 | O7 | 123.2° | 120.0° |
| C12 | C10 | C13 | C14 | 63.0° | 60.0° |
| C10 | C12 | H1 | H2 | 120.0° | 120.0° |
| C10 | C12 | H1 | H3 | 120.0° | 120.0° |
| C10 | C12 | H2 | H3 | 120.0° | 120.0° |
| C12 | C10 | C9 | H4 | 65.7° | 180.0° |
| C12 | C10 | C9 | H5 | 53.5° | 59.9° |
| C12 | C10 | C11 | H20 | 56.0° | 60.0° |
| C12 | C10 | C11 | H21 | 176.1° | 59.9° |
| C12 | C10 | C11 | H22 | 64.0° | 180.0° |
| O7 | C13 | C14 | H23 | 0.0° | 180.0° |
| O7 | C13 | C14 | H24 | 120.0° | 60.0° |
| O7 | C13 | C14 | H25 | 120.0° | 60.0° |
| C13 | C14 | H23 | H24 | 120.0° | 120.0° |
| C13 | C14 | H23 | H25 | 120.0° | 119.9° |
| C13 | C14 | H24 | H25 | 120.0° | 120.0° |
| H1 | C12 | H2 | H3 | 120.0° | 120.1° |
| H6 | C7 | C6 | H11 | 68.5° | 65.0° |
| H6 | C7 | O4 | H18 | 59.7° | 60.0° |
| H7 | C7 | C6 | H11 | 172.1° | 175.0° |
| H7 | C7 | O4 | H18 | 59.7° | 60.0° |
| H8 | C3 | C4 | H9 | 180.0° | 177.1° |
| H8 | C3 | N1 | H15 | 174.5° | 144.9° |
| H8 | C3 | C8 | H19 | 177.4° | 177.7° |
| H9 | C4 | C5 | H10 | 176.9° | 177.2° |
| H9 | C4 | O2 | H16 | 61.8° | 59.9° |
| H10 | C5 | C6 | H11 | 175.0° | 177.7° |
| H10 | C5 | O3 | H17 | 60.4° | 59.9° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H20 | C11 | H21 | H22 | 120.0° | 119.9° |
| H23 | C14 | H24 | H25 | 120.0° | 120.0° |
