UL6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C5 | sing | 1.43Å | 1.42Å | |
| O2 | C4 | sing | 1.43Å | 1.44Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| 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 | 1.42Å | |
| C6 | O5 | sing | 1.43Å | 1.44Å | |
| C3 | N1 | sing | 1.46Å | 1.46Å | |
| C3 | C8 | sing | 1.53Å | 1.55Å | |
| O5 | C8 | sing | 1.43Å | 1.43Å | |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| C8 | O6 | sing | 1.43Å | 1.40Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| O6 | C9 | sing | 1.43Å | 1.49Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| O8 | C10 | sing | 1.43Å | 1.44Å | |
| O8 | C13 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | sing | 1.53Å | 1.49Å | |
| C11 | O7 | sing | 1.43Å | 1.43Å | |
| C13 | C12 | sing | 1.53Å | 1.50Å | |
| C12 | O7 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C5 | C4 | 111.0° | 109.5° |
| O3 | C5 | C6 | 107.8° | 109.5° |
| O3 | C5 | H8 | 109.9° | 109.6° |
| C5 | O3 | H9 | 109.5° | 114.0° |
| O2 | C4 | C5 | 112.0° | 109.6° |
| O2 | C4 | C3 | 112.1° | 109.6° |
| O2 | C4 | H6 | 108.1° | 109.5° |
| C4 | O2 | H7 | 109.5° | 114.0° |
| C4 | C5 | C6 | 111.4° | 109.2° |
| C5 | C4 | C3 | 110.3° | 109.1° |
| C5 | C4 | H6 | 106.9° | 109.5° |
| C4 | C5 | H8 | 108.4° | 109.5° |
| C5 | C6 | C7 | 112.5° | 109.5° |
| C5 | C6 | O5 | 107.5° | 109.5° |
| C6 | C5 | H8 | 108.3° | 109.5° |
| C5 | C6 | H10 | 109.7° | 109.5° |
| C4 | C3 | N1 | 110.5° | 109.6° |
| C4 | C3 | C8 | 108.9° | 109.2° |
| C4 | C3 | H5 | 107.7° | 109.6° |
| C3 | C4 | H6 | 107.1° | 109.6° |
| C6 | C7 | O4 | 111.6° | 109.5° |
| C7 | C6 | O5 | 105.6° | 109.5° |
| C7 | C6 | H10 | 110.3° | 109.5° |
| C6 | C7 | H11 | 109.0° | 109.4° |
| C6 | C7 | H12 | 108.9° | 109.5° |
| O4 | C7 | H11 | 109.0° | 109.5° |
| O4 | C7 | H12 | 108.9° | 109.5° |
| C7 | O4 | H13 | 109.5° | 114.0° |
| C6 | O5 | C8 | 111.9° | 114.1° |
| O5 | C6 | H10 | 111.1° | 109.4° |
| N1 | C3 | C8 | 113.6° | 109.5° |
| C3 | N1 | C2 | 127.0° | 120.0° |
| C3 | N1 | H4 | 116.5° | 120.0° |
| N1 | C3 | H5 | 108.6° | 109.6° |
| C3 | C8 | O5 | 111.6° | 109.4° |
| C3 | C8 | O6 | 111.0° | 109.5° |
| C8 | C3 | H5 | 107.3° | 109.5° |
| C3 | C8 | H14 | 107.7° | 109.5° |
| O5 | C8 | O6 | 107.6° | 109.5° |
| O5 | C8 | H14 | 109.4° | 109.5° |
| N1 | C2 | O1 | 121.0° | 120.0° |
| N1 | C2 | C1 | 117.5° | 120.0° |
| C2 | N1 | H4 | 116.5° | 120.0° |
| C8 | O6 | C9 | 114.4° | 114.0° |
| O6 | C8 | H14 | 109.7° | 109.5° |
| O1 | C2 | C1 | 121.5° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| O6 | C9 | C10 | 110.7° | 109.4° |
| O6 | C9 | H15 | 109.2° | 109.5° |
| O6 | C9 | H16 | 109.1° | 109.5° |
| C9 | C10 | O8 | 110.9° | 109.6° |
| C9 | C10 | C11 | 117.6° | 109.5° |
| C10 | C9 | H15 | 109.2° | 109.5° |
| C10 | C9 | H16 | 109.2° | 109.5° |
| C9 | C10 | H17 | 106.4° | 109.6° |
| C10 | O8 | C13 | 112.0° | 113.6° |
| O8 | C10 | C11 | 107.2° | 109.1° |
| O8 | C10 | H17 | 107.4° | 109.6° |
| O8 | C13 | C12 | 110.4° | 109.2° |
| O8 | C13 | H22 | 109.2° | 109.6° |
| O8 | C13 | H23 | 109.2° | 109.6° |
| C10 | C11 | O7 | 109.6° | 109.1° |
| C11 | C10 | H17 | 106.8° | 109.5° |
| C10 | C11 | H18 | 109.4° | 109.5° |
| C10 | C11 | H19 | 109.5° | 109.6° |
| C11 | O7 | C12 | 112.3° | 113.6° |
| O7 | C11 | H18 | 109.4° | 109.5° |
| O7 | C11 | H19 | 109.4° | 109.5° |
| C13 | C12 | O7 | 113.1° | 109.1° |
| C13 | C12 | H20 | 108.6° | 109.5° |
| C13 | C12 | H21 | 108.6° | 109.6° |
| C12 | C13 | H22 | 109.2° | 109.5° |
| C12 | C13 | H23 | 109.2° | 109.5° |
| O7 | C12 | H20 | 108.6° | 109.5° |
| O7 | C12 | H21 | 108.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.4° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.6° |
| H20 | C12 | H21 | 109.4° | 109.5° |
| H22 | C13 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C5 | C4 | O2 | 60.3° | 63.1° |
| O3 | C5 | C4 | C6 | 120.1° | 120.0° |
| O3 | C5 | C4 | H8 | 120.8° | 120.2° |
| O3 | C5 | C6 | H8 | 118.9° | 120.2° |
| O3 | C5 | C4 | C3 | 174.0° | 176.9° |
| O3 | C5 | C6 | C7 | 63.4° | 62.5° |
| O3 | C5 | C6 | O5 | 179.3° | 177.5° |
| O3 | C5 | C4 | H6 | 57.9° | 57.0° |
| O3 | C5 | C6 | H10 | 59.8° | 57.6° |
| O2 | C4 | C5 | C3 | 125.7° | 119.9° |
| O2 | C4 | C5 | H6 | 118.2° | 120.2° |
| O2 | C4 | C5 | C6 | 179.6° | 176.9° |
| O2 | C4 | C3 | H6 | 118.4° | 120.2° |
| O2 | C4 | C3 | N1 | 58.6° | 63.2° |
| O2 | C4 | C3 | C8 | 175.9° | 176.9° |
| O2 | C4 | C3 | H5 | 59.8° | 57.0° |
| O2 | C4 | C5 | H8 | 60.5° | 57.0° |
| C4 | C5 | C6 | H8 | 119.1° | 119.9° |
| C5 | C4 | C3 | H6 | 116.0° | 119.9° |
| C4 | C5 | C6 | C7 | 174.6° | 177.6° |
| C4 | C5 | C6 | O5 | 58.7° | 57.5° |
| C5 | C4 | C3 | N1 | 175.8° | 176.9° |
| C5 | C4 | C3 | C8 | 50.3° | 57.0° |
| C5 | C4 | C3 | H5 | 65.8° | 62.9° |
| C5 | C4 | O2 | H7 | 180.0° | 60.4° |
| C4 | C5 | O3 | H9 | 180.0° | 180.0° |
| C4 | C5 | C6 | H10 | 62.2° | 62.4° |
| C6 | C5 | C4 | C3 | 53.9° | 57.0° |
| C5 | C6 | C7 | O5 | 117.0° | 120.0° |
| C5 | C6 | C7 | H10 | 122.9° | 120.1° |
| C5 | C6 | C7 | O4 | 178.6° | 175.0° |
| C5 | C6 | O5 | H10 | 120.0° | 120.0° |
| C5 | C6 | O5 | C8 | 64.0° | 61.1° |
| C6 | C5 | C4 | H6 | 62.2° | 62.9° |
| C6 | C5 | O3 | H9 | 57.8° | 60.2° |
| C5 | C6 | C7 | H11 | 58.3° | 55.0° |
| C5 | C6 | C7 | H12 | 61.1° | 65.0° |
| C4 | C3 | N1 | C8 | 122.8° | 119.7° |
| C4 | C3 | N1 | H5 | 117.9° | 120.2° |
| C4 | C3 | C8 | H5 | 116.3° | 120.0° |
| C4 | C3 | C8 | O5 | 55.5° | 57.6° |
| C4 | C3 | N1 | C2 | 125.6° | 155.3° |
| C4 | C3 | C8 | O6 | 175.4° | 177.6° |
| C4 | C3 | N1 | H4 | 54.4° | 24.7° |
| C3 | C4 | O2 | H7 | 55.3° | 180.0° |
| C3 | C4 | C5 | H8 | 65.1° | 62.9° |
| C4 | C3 | C8 | H14 | 64.5° | 62.3° |
| C6 | C7 | O4 | H11 | 120.3° | 120.0° |
| C6 | C7 | O4 | H12 | 120.3° | 120.0° |
| C7 | C6 | O5 | H10 | 119.6° | 120.0° |
| C7 | C6 | O5 | C8 | 175.7° | 178.8° |
| C7 | C6 | C5 | H8 | 55.5° | 57.7° |
| C6 | C7 | H11 | H12 | 119.0° | 120.0° |
| C6 | C7 | O4 | H13 | 180.0° | 180.0° |
| O4 | C7 | C6 | O5 | 64.4° | 65.0° |
| O4 | C7 | C6 | H10 | 55.8° | 54.9° |
| O4 | C7 | H11 | H12 | 119.0° | 120.0° |
| C6 | O5 | C8 | C3 | 64.0° | 61.1° |
| C6 | O5 | C8 | O6 | 174.0° | 178.9° |
| O5 | C6 | C5 | H8 | 60.4° | 62.3° |
| O5 | C6 | C7 | H11 | 175.3° | 175.0° |
| O5 | C6 | C7 | H12 | 55.9° | 55.0° |
| C6 | O5 | C8 | H14 | 55.0° | 58.8° |
| N1 | C3 | C8 | H5 | 120.0° | 120.1° |
| N1 | C3 | C8 | O5 | 179.1° | 177.5° |
| C3 | N1 | C2 | H4 | 180.0° | 180.0° |
| N1 | C3 | C8 | O6 | 60.9° | 62.5° |
| C3 | N1 | C2 | O1 | 3.5° | 0.1° |
| C3 | N1 | C2 | C1 | 174.0° | 180.0° |
| N1 | C3 | C4 | H6 | 59.8° | 57.0° |
| N1 | C3 | C8 | H14 | 59.1° | 57.6° |
| C3 | C8 | O5 | O6 | 121.9° | 120.0° |
| C3 | C8 | O5 | H14 | 119.0° | 119.9° |
| C8 | C3 | N1 | C2 | 111.6° | 85.0° |
| C3 | C8 | O6 | H14 | 118.9° | 120.1° |
| C3 | C8 | O6 | C9 | 159.3° | 175.0° |
| C8 | C3 | N1 | H4 | 68.4° | 95.0° |
| C8 | C3 | C4 | H6 | 65.7° | 62.9° |
| O5 | C8 | O6 | H14 | 118.8° | 120.0° |
| O5 | C8 | O6 | C9 | 78.4° | 65.1° |
| O5 | C8 | C3 | H5 | 60.9° | 62.4° |
| C8 | O5 | C6 | H10 | 56.1° | 58.8° |
| N1 | C2 | O1 | C1 | 177.4° | 180.0° |
| N1 | C2 | C1 | H1 | 177.5° | 180.0° |
| N1 | C2 | C1 | H2 | 62.5° | 60.0° |
| N1 | C2 | C1 | H3 | 57.5° | 60.0° |
| C2 | N1 | C3 | H5 | 7.7° | 35.1° |
| C8 | O6 | C9 | C10 | 117.7° | 180.0° |
| O6 | C8 | C3 | H5 | 59.1° | 57.6° |
| C8 | O6 | C9 | H15 | 2.5° | 60.0° |
| C8 | O6 | C9 | H16 | 122.1° | 60.0° |
| O1 | C2 | C1 | H1 | 0.0° | 0.0° |
| O1 | C2 | C1 | H2 | 120.0° | 120.0° |
| O1 | C2 | C1 | H3 | 120.0° | 120.0° |
| O1 | C2 | N1 | H4 | 176.5° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | N1 | H4 | 6.0° | 0.0° |
| O6 | C9 | C10 | H15 | 120.2° | 120.0° |
| O6 | C9 | C10 | H16 | 120.2° | 120.0° |
| O6 | C9 | C10 | O8 | 13.6° | 65.3° |
| O6 | C9 | C10 | C11 | 137.4° | 175.0° |
| C9 | O6 | C8 | H14 | 40.4° | 55.0° |
| O6 | C9 | H15 | H16 | 119.4° | 120.0° |
| O6 | C9 | C10 | H17 | 102.9° | 54.9° |
| C9 | C10 | O8 | C11 | 129.6° | 119.9° |
| C9 | C10 | O8 | H17 | 115.9° | 120.2° |
| C9 | C10 | O8 | C13 | 167.2° | 177.8° |
| C9 | C10 | C11 | H17 | 119.5° | 120.1° |
| C9 | C10 | C11 | O7 | 171.8° | 175.2° |
| C10 | C9 | H15 | H16 | 119.4° | 120.0° |
| C9 | C10 | C11 | H18 | 68.2° | 55.3° |
| C9 | C10 | C11 | H19 | 51.8° | 64.9° |
| O8 | C10 | C11 | H17 | 114.8° | 120.0° |
| O8 | C10 | C11 | O7 | 62.5° | 55.3° |
| C10 | O8 | C13 | C12 | 55.8° | 57.9° |
| O8 | C10 | C9 | H15 | 106.6° | 54.6° |
| O8 | C10 | C9 | H16 | 133.8° | 174.6° |
| O8 | C10 | C11 | H18 | 57.5° | 64.6° |
| O8 | C10 | C11 | H19 | 177.4° | 175.2° |
| C10 | O8 | C13 | H22 | 64.3° | 177.9° |
| C10 | O8 | C13 | H23 | 176.0° | 61.9° |
| C13 | O8 | C10 | C11 | 63.2° | 58.0° |
| O8 | C13 | C12 | H22 | 120.1° | 120.0° |
| O8 | C13 | C12 | H23 | 120.2° | 120.0° |
| O8 | C13 | C12 | O7 | 48.0° | 55.3° |
| C13 | O8 | C10 | H17 | 51.4° | 61.9° |
| O8 | C13 | C12 | H20 | 168.6° | 64.6° |
| O8 | C13 | C12 | H21 | 72.5° | 175.2° |
| O8 | C13 | H22 | H23 | 119.6° | 120.2° |
| C10 | C11 | O7 | H18 | 120.0° | 119.9° |
| C10 | C11 | O7 | H19 | 120.0° | 119.9° |
| C10 | C11 | O7 | C12 | 57.1° | 58.0° |
| C11 | C10 | C9 | H15 | 17.2° | 65.0° |
| C11 | C10 | C9 | H16 | 102.4° | 55.0° |
| C10 | C11 | H18 | H19 | 120.0° | 120.2° |
| C11 | O7 | C12 | C13 | 49.9° | 57.9° |
| O7 | C11 | C10 | H17 | 52.3° | 64.6° |
| O7 | C11 | H18 | H19 | 119.9° | 120.2° |
| C11 | O7 | C12 | H20 | 170.4° | 61.9° |
| C11 | O7 | C12 | H21 | 70.7° | 178.0° |
| C13 | C12 | O7 | H20 | 120.6° | 119.8° |
| C13 | C12 | O7 | H21 | 120.6° | 120.0° |
| C13 | C12 | H20 | H21 | 118.4° | 120.2° |
| C12 | C13 | H22 | H23 | 119.6° | 120.0° |
| C12 | O7 | C11 | H18 | 62.9° | 61.9° |
| C12 | O7 | C11 | H19 | 177.2° | 177.9° |
| O7 | C12 | H20 | H21 | 118.3° | 120.1° |
| O7 | C12 | C13 | H22 | 72.1° | 175.2° |
| O7 | C12 | C13 | H23 | 168.2° | 64.7° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | N1 | C3 | H5 | 172.3° | 144.9° |
| H5 | C3 | C4 | H6 | 178.2° | 177.2° |
| H5 | C3 | C8 | H14 | 179.1° | 177.7° |
| H6 | C4 | O2 | H7 | 62.5° | 59.8° |
| H6 | C4 | C5 | H8 | 178.7° | 177.2° |
| H8 | C5 | O3 | H9 | 60.1° | 59.9° |
| H8 | C5 | C6 | H10 | 178.7° | 177.8° |
| H10 | C6 | C7 | H11 | 64.6° | 65.1° |
| H10 | C6 | C7 | H12 | 176.1° | 174.9° |
| H11 | C7 | O4 | H13 | 59.7° | 60.0° |
| H12 | C7 | O4 | H13 | 59.7° | 60.0° |
| H15 | C9 | C10 | H17 | 136.9° | 174.9° |
| H16 | C9 | C10 | H17 | 17.3° | 65.1° |
| H17 | C10 | C11 | H18 | 172.3° | 175.5° |
| H17 | C10 | C11 | H19 | 67.7° | 55.3° |
| H20 | C12 | C13 | H22 | 48.4° | 55.4° |
| H20 | C12 | C13 | H23 | 71.3° | 175.5° |
| H21 | C12 | C13 | H22 | 167.4° | 64.8° |
| H21 | C12 | C13 | H23 | 47.7° | 55.3° |
