Obsolete: T6P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C1 | O5 | sing | 1.43Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| C2 | O2 | sing | 1.43Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | O3 | sing | 1.43Å | 1.46Å | |
| C4 | O4 | sing | 1.43Å | 1.45Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.49Å | |
| C5 | O5 | sing | 1.43Å | 1.47Å | |
| C6 | O6 | sing | 1.43Å | 1.40Å | |
| O1 | C7 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | O10 | sing | 1.43Å | 1.45Å | |
| C8 | O7 | sing | 1.43Å | 1.43Å | |
| C8 | C9 | sing | 1.53Å | 1.48Å | |
| C9 | O8 | sing | 1.43Å | 1.47Å | |
| C9 | C10 | sing | 1.53Å | 1.47Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | O9 | sing | 1.43Å | 1.44Å | |
| C11 | O10 | sing | 1.43Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| C12 | O11 | sing | 1.43Å | 1.38Å | |
| O11 | P1 | sing | 1.61Å | 1.59Å | |
| P1 | O13 | doub | 1.48Å | 1.52Å | |
| P1 | O12 | sing | 1.61Å | 1.50Å | |
| P1 | O14 | sing | 1.61Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| O4 | H10 | sing | 0.97Å | 0.95Å | |
| O6 | H11 | sing | 0.97Å | 0.95Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| O7 | H19 | sing | 0.97Å | 0.95Å | |
| O8 | H20 | sing | 0.97Å | 0.95Å | |
| O9 | H21 | sing | 0.97Å | 0.95Å | |
| O12 | H22 | sing | 0.97Å | 0.95Å | |
| O14 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 111.0° | 109.5° |
| C2 | C1 | O5 | 110.2° | 109.4° |
| C1 | C2 | C3 | 111.1° | 109.1° |
| C1 | C2 | O2 | 106.4° | 109.5° |
| C2 | C1 | H1 | 108.1° | 109.4° |
| C1 | C2 | H2 | 108.7° | 109.5° |
| O1 | C1 | O5 | 109.0° | 109.5° |
| C1 | O1 | C7 | 111.6° | 114.0° |
| O1 | C1 | H1 | 109.8° | 109.5° |
| C1 | O5 | C5 | 112.9° | 114.1° |
| O5 | C1 | H1 | 108.7° | 109.5° |
| C3 | C2 | O2 | 112.0° | 109.5° |
| C2 | C3 | C4 | 112.6° | 109.0° |
| C2 | C3 | O3 | 111.1° | 109.5° |
| C3 | C2 | H2 | 109.0° | 109.5° |
| C2 | C3 | H3 | 108.3° | 109.5° |
| O2 | C2 | H2 | 109.7° | 109.6° |
| C2 | O2 | H8 | 109.5° | 114.0° |
| C4 | C3 | O3 | 107.9° | 109.6° |
| C3 | C4 | O4 | 108.9° | 109.5° |
| C3 | C4 | C5 | 110.8° | 109.2° |
| C4 | C3 | H3 | 108.2° | 109.6° |
| C3 | C4 | H4 | 108.8° | 109.6° |
| O3 | C3 | H3 | 108.7° | 109.6° |
| C3 | O3 | H9 | 109.5° | 114.1° |
| O4 | C4 | C5 | 110.4° | 109.5° |
| O4 | C4 | H4 | 109.5° | 109.5° |
| C4 | O4 | H10 | 109.5° | 114.0° |
| C4 | C5 | C6 | 113.7° | 109.5° |
| C4 | C5 | O5 | 111.7° | 109.4° |
| C5 | C4 | H4 | 108.4° | 109.6° |
| C4 | C5 | H5 | 107.7° | 109.5° |
| C6 | C5 | O5 | 106.8° | 109.5° |
| C5 | C6 | O6 | 110.6° | 109.5° |
| C6 | C5 | H5 | 108.2° | 109.5° |
| C5 | C6 | H6 | 109.2° | 109.4° |
| C5 | C6 | H7 | 109.2° | 109.5° |
| O5 | C5 | H5 | 108.5° | 109.4° |
| O6 | C6 | H6 | 109.2° | 109.5° |
| O6 | C6 | H7 | 109.2° | 109.5° |
| C6 | O6 | H11 | 109.5° | 114.0° |
| O1 | C7 | C8 | 109.2° | 109.5° |
| O1 | C7 | O10 | 109.9° | 109.5° |
| O1 | C7 | H12 | 110.0° | 109.5° |
| C8 | C7 | O10 | 109.8° | 109.4° |
| C7 | C8 | O7 | 108.0° | 109.5° |
| C7 | C8 | C9 | 110.9° | 109.2° |
| C8 | C7 | H12 | 108.4° | 109.5° |
| C7 | C8 | H13 | 108.4° | 109.6° |
| C7 | O10 | C11 | 111.6° | 114.1° |
| O10 | C7 | H12 | 109.5° | 109.5° |
| O7 | C8 | C9 | 110.7° | 109.5° |
| O7 | C8 | H13 | 109.8° | 109.5° |
| C8 | O7 | H19 | 109.5° | 113.9° |
| C8 | C9 | O8 | 108.8° | 109.5° |
| C8 | C9 | C10 | 112.5° | 109.0° |
| C9 | C8 | H13 | 109.0° | 109.6° |
| C8 | C9 | H14 | 108.6° | 109.5° |
| O8 | C9 | C10 | 109.3° | 109.6° |
| O8 | C9 | H14 | 108.8° | 109.5° |
| C9 | O8 | H20 | 109.5° | 114.0° |
| C9 | C10 | C11 | 110.6° | 109.2° |
| C9 | C10 | O9 | 110.5° | 109.5° |
| C10 | C9 | H14 | 108.8° | 109.6° |
| C9 | C10 | H15 | 109.5° | 109.6° |
| C11 | C10 | O9 | 107.6° | 109.5° |
| C10 | C11 | O10 | 109.4° | 109.4° |
| C10 | C11 | C12 | 112.2° | 109.5° |
| C11 | C10 | H15 | 108.8° | 109.5° |
| C10 | C11 | H16 | 107.9° | 109.4° |
| O9 | C10 | H15 | 109.9° | 109.5° |
| C10 | O9 | H21 | 109.5° | 113.9° |
| O10 | C11 | C12 | 110.7° | 109.5° |
| O10 | C11 | H16 | 108.4° | 109.5° |
| C11 | C12 | O11 | 109.4° | 109.5° |
| C12 | C11 | H16 | 108.1° | 109.5° |
| C11 | C12 | H17 | 109.5° | 109.5° |
| C11 | C12 | H18 | 109.5° | 109.5° |
| C12 | O11 | P1 | 120.8° | 123.0° |
| O11 | C12 | H17 | 109.5° | 109.5° |
| O11 | C12 | H18 | 109.5° | 109.5° |
| O11 | P1 | O13 | 109.2° | 109.5° |
| O11 | P1 | O12 | 110.7° | 109.5° |
| O11 | P1 | O14 | 107.8° | 109.5° |
| O13 | P1 | O12 | 109.4° | 109.5° |
| O13 | P1 | O14 | 110.3° | 109.5° |
| O12 | P1 | O14 | 109.4° | 109.5° |
| P1 | O12 | H22 | 109.5° | 114.0° |
| P1 | O14 | H23 | 109.5° | 114.0° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H17 | C12 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O5 | 121.6° | 120.0° |
| C2 | C1 | O1 | H1 | 119.4° | 120.0° |
| C2 | C1 | O5 | H1 | 118.3° | 119.9° |
| C1 | C2 | C3 | O2 | 118.7° | 119.9° |
| C1 | C2 | C3 | H2 | 119.7° | 119.8° |
| C1 | C2 | O2 | H2 | 117.3° | 120.2° |
| C1 | C2 | C3 | C4 | 54.2° | 57.0° |
| C1 | C2 | C3 | O3 | 175.3° | 176.9° |
| C2 | C1 | O5 | C5 | 56.8° | 61.1° |
| C2 | C1 | O1 | C7 | 175.2° | 170.0° |
| C1 | C2 | C3 | H3 | 65.4° | 62.9° |
| C1 | C2 | O2 | H8 | 180.0° | 60.0° |
| O1 | C1 | O5 | H1 | 119.6° | 120.0° |
| O1 | C1 | C2 | C3 | 65.7° | 62.4° |
| O1 | C1 | C2 | O2 | 56.4° | 57.5° |
| O1 | C1 | O5 | C5 | 65.3° | 58.9° |
| C1 | O1 | C7 | C8 | 165.9° | 170.0° |
| C1 | O1 | C7 | O10 | 73.6° | 70.1° |
| O1 | C1 | C2 | H2 | 174.4° | 177.8° |
| C1 | O1 | C7 | H12 | 47.0° | 50.0° |
| O5 | C1 | C2 | C3 | 55.2° | 57.6° |
| O5 | C1 | C2 | O2 | 177.3° | 177.5° |
| C1 | O5 | C5 | C4 | 55.8° | 61.1° |
| C1 | O5 | C5 | C6 | 179.2° | 178.9° |
| O5 | C1 | O1 | C7 | 63.3° | 70.0° |
| O5 | C1 | C2 | H2 | 64.8° | 62.2° |
| C1 | O5 | C5 | H5 | 62.8° | 58.9° |
| C3 | C2 | O2 | H2 | 121.2° | 120.2° |
| C2 | C3 | C4 | O3 | 122.9° | 119.8° |
| C2 | C3 | C4 | H3 | 119.6° | 119.9° |
| C2 | C3 | O3 | H3 | 119.0° | 120.2° |
| C2 | C3 | C4 | O4 | 173.9° | 176.9° |
| C2 | C3 | C4 | C5 | 52.3° | 57.0° |
| C3 | C2 | C1 | H1 | 173.9° | 177.6° |
| C2 | C3 | C4 | H4 | 66.8° | 63.0° |
| C3 | C2 | O2 | H8 | 58.5° | 179.6° |
| C2 | C3 | O3 | H9 | 180.0° | 60.0° |
| O2 | C2 | C3 | C4 | 172.9° | 176.9° |
| O2 | C2 | C3 | O3 | 65.9° | 63.3° |
| O2 | C2 | C1 | H1 | 64.0° | 62.5° |
| O2 | C2 | C3 | H3 | 53.4° | 57.0° |
| C4 | C3 | O3 | H3 | 117.1° | 120.3° |
| C3 | C4 | O4 | C5 | 121.9° | 119.7° |
| C3 | C4 | O4 | H4 | 118.8° | 120.1° |
| C3 | C4 | C5 | H4 | 119.3° | 120.0° |
| C3 | C4 | C5 | C6 | 173.4° | 177.6° |
| C3 | C4 | C5 | O5 | 52.3° | 57.6° |
| C4 | C3 | C2 | H2 | 65.5° | 62.8° |
| C3 | C4 | C5 | H5 | 66.7° | 62.3° |
| C4 | C3 | O3 | H9 | 56.1° | 179.5° |
| C3 | C4 | O4 | H10 | 180.0° | 60.0° |
| O3 | C3 | C4 | O4 | 63.2° | 63.2° |
| O3 | C3 | C4 | C5 | 175.2° | 176.8° |
| O3 | C3 | C2 | H2 | 55.6° | 57.0° |
| O3 | C3 | C4 | H4 | 56.1° | 56.8° |
| O4 | C4 | C5 | H4 | 119.9° | 120.1° |
| O4 | C4 | C5 | C6 | 65.9° | 62.5° |
| O4 | C4 | C5 | O5 | 173.1° | 177.5° |
| O4 | C4 | C3 | H3 | 54.3° | 57.1° |
| O4 | C4 | C5 | H5 | 54.1° | 57.6° |
| C4 | C5 | C6 | O5 | 123.8° | 120.0° |
| C4 | C5 | C6 | H5 | 119.6° | 120.1° |
| C4 | C5 | O5 | H5 | 118.6° | 120.0° |
| C4 | C5 | C6 | O6 | 63.6° | 175.0° |
| C5 | C4 | C3 | H3 | 67.3° | 62.8° |
| C4 | C5 | C6 | H6 | 176.3° | 55.0° |
| C4 | C5 | C6 | H7 | 56.6° | 64.9° |
| C5 | C4 | O4 | H10 | 58.1° | 179.7° |
| C6 | C5 | O5 | H5 | 116.4° | 120.0° |
| C5 | C6 | O6 | H6 | 120.2° | 120.0° |
| C5 | C6 | O6 | H7 | 120.2° | 120.0° |
| C6 | C5 | C4 | H4 | 54.1° | 57.6° |
| C5 | C6 | H6 | H7 | 119.5° | 120.0° |
| C5 | C6 | O6 | H11 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 60.2° | 65.0° |
| C5 | O5 | C1 | H1 | 175.1° | 178.9° |
| O5 | C5 | C4 | H4 | 67.0° | 62.4° |
| O5 | C5 | C6 | H6 | 60.0° | 175.0° |
| O5 | C5 | C6 | H7 | 179.6° | 55.0° |
| O6 | C6 | C5 | H5 | 176.8° | 54.9° |
| O6 | C6 | H6 | H7 | 119.5° | 120.0° |
| O1 | C7 | C8 | O10 | 120.6° | 120.0° |
| O1 | C7 | C8 | H12 | 119.8° | 120.0° |
| O1 | C7 | O10 | H12 | 120.9° | 120.0° |
| O1 | C7 | C8 | O7 | 55.5° | 57.5° |
| O1 | C7 | C8 | C9 | 65.9° | 62.4° |
| O1 | C7 | O10 | C11 | 60.9° | 58.8° |
| C7 | O1 | C1 | H1 | 55.7° | 50.0° |
| O1 | C7 | C8 | H13 | 174.4° | 177.6° |
| C8 | C7 | O10 | H12 | 118.9° | 120.0° |
| C7 | C8 | O7 | C9 | 121.6° | 119.7° |
| C7 | C8 | O7 | H13 | 118.0° | 120.2° |
| C7 | C8 | C9 | H13 | 119.3° | 120.0° |
| C7 | C8 | C9 | O8 | 174.6° | 176.9° |
| C7 | C8 | C9 | C10 | 53.3° | 57.0° |
| C8 | C7 | O10 | C11 | 59.2° | 61.2° |
| C7 | C8 | C9 | H14 | 67.2° | 62.9° |
| C7 | C8 | O7 | H19 | 180.0° | 60.0° |
| O10 | C7 | C8 | O7 | 176.1° | 177.5° |
| O10 | C7 | C8 | C9 | 54.6° | 57.6° |
| C7 | O10 | C11 | C10 | 60.5° | 61.2° |
| C7 | O10 | C11 | C12 | 175.4° | 178.8° |
| O10 | C7 | C8 | H13 | 65.0° | 62.4° |
| C7 | O10 | C11 | H16 | 56.9° | 58.8° |
| O7 | C8 | C9 | H13 | 120.9° | 120.1° |
| O7 | C8 | C9 | O8 | 65.6° | 63.2° |
| O7 | C8 | C9 | C10 | 173.1° | 176.9° |
| O7 | C8 | C7 | H12 | 64.3° | 62.5° |
| O7 | C8 | C9 | H14 | 52.7° | 57.0° |
| C8 | C9 | O8 | C10 | 123.2° | 119.6° |
| C8 | C9 | O8 | H14 | 118.1° | 120.2° |
| C8 | C9 | C10 | H14 | 120.3° | 119.9° |
| C8 | C9 | C10 | C11 | 54.6° | 56.9° |
| C8 | C9 | C10 | O9 | 173.6° | 176.9° |
| C9 | C8 | C7 | H12 | 174.2° | 177.6° |
| C8 | C9 | C10 | H15 | 65.3° | 62.9° |
| C9 | C8 | O7 | H19 | 58.5° | 179.7° |
| C8 | C9 | O8 | H20 | 180.0° | 60.0° |
| O8 | C9 | C10 | H14 | 118.7° | 120.2° |
| O8 | C9 | C10 | C11 | 175.6° | 176.8° |
| O8 | C9 | C10 | O9 | 65.4° | 63.3° |
| O8 | C9 | C8 | H13 | 55.3° | 56.9° |
| O8 | C9 | C10 | H15 | 55.7° | 56.9° |
| C9 | C10 | C11 | O9 | 120.8° | 119.9° |
| C9 | C10 | C11 | H15 | 120.3° | 119.9° |
| C9 | C10 | O9 | H15 | 120.9° | 120.2° |
| C9 | C10 | C11 | O10 | 56.9° | 57.6° |
| C9 | C10 | C11 | C12 | 179.9° | 177.6° |
| C10 | C9 | C8 | H13 | 66.0° | 63.0° |
| C9 | C10 | C11 | H16 | 60.9° | 62.4° |
| C10 | C9 | O8 | H20 | 56.8° | 179.6° |
| C9 | C10 | O9 | H21 | 180.0° | 60.0° |
| C11 | C10 | O9 | H15 | 118.3° | 120.1° |
| C10 | C11 | O10 | C12 | 124.1° | 120.0° |
| C10 | C11 | O10 | H16 | 117.4° | 119.9° |
| C10 | C11 | C12 | H16 | 118.8° | 120.0° |
| C10 | C11 | C12 | O11 | 52.5° | 175.0° |
| C11 | C10 | C9 | H14 | 65.7° | 62.9° |
| C10 | C11 | C12 | H17 | 172.5° | 55.0° |
| C10 | C11 | C12 | H18 | 67.5° | 65.0° |
| C11 | C10 | O9 | H21 | 59.2° | 179.8° |
| O9 | C10 | C11 | O10 | 177.6° | 177.5° |
| O9 | C10 | C11 | C12 | 59.1° | 62.5° |
| O9 | C10 | C9 | H14 | 53.3° | 57.0° |
| O9 | C10 | C11 | H16 | 59.9° | 57.6° |
| O10 | C11 | C12 | H16 | 118.7° | 120.1° |
| O10 | C11 | C12 | O11 | 70.0° | 65.1° |
| C11 | O10 | C7 | H12 | 178.2° | 178.8° |
| O10 | C11 | C10 | H15 | 63.4° | 62.4° |
| O10 | C11 | C12 | H17 | 50.0° | 174.9° |
| O10 | C11 | C12 | H18 | 170.1° | 54.9° |
| C11 | C12 | O11 | H17 | 120.0° | 120.0° |
| C11 | C12 | O11 | H18 | 120.0° | 120.0° |
| C11 | C12 | O11 | P1 | 144.6° | 180.0° |
| C12 | C11 | C10 | H15 | 59.8° | 57.6° |
| C11 | C12 | H17 | H18 | 120.0° | 120.0° |
| C12 | O11 | P1 | O13 | 65.5° | 55.0° |
| C12 | O11 | P1 | O12 | 54.9° | 65.0° |
| C12 | O11 | P1 | O14 | 174.6° | 175.0° |
| O11 | C12 | C11 | H16 | 171.4° | 55.0° |
| O11 | C12 | H17 | H18 | 120.1° | 120.0° |
| O11 | P1 | O13 | O12 | 121.2° | 120.0° |
| O11 | P1 | O13 | O14 | 118.3° | 120.0° |
| O11 | P1 | O12 | O14 | 118.7° | 120.0° |
| P1 | O11 | C12 | H17 | 95.4° | 60.0° |
| P1 | O11 | C12 | H18 | 24.7° | 59.9° |
| O11 | P1 | O12 | H22 | 120.3° | 60.0° |
| O11 | P1 | O14 | H23 | 119.2° | 180.0° |
| O13 | P1 | O12 | O14 | 121.0° | 120.0° |
| O13 | P1 | O12 | H22 | 0.0° | 180.0° |
| O13 | P1 | O14 | H23 | 0.0° | 60.0° |
| O12 | P1 | O14 | H23 | 120.4° | 60.0° |
| O14 | P1 | O12 | H22 | 121.0° | 60.0° |
| H1 | C1 | C2 | H2 | 53.9° | 57.7° |
| H2 | C2 | C3 | H3 | 174.9° | 177.3° |
| H2 | C2 | O2 | H8 | 62.7° | 60.2° |
| H3 | C3 | C4 | H4 | 173.6° | 177.1° |
| H3 | C3 | O3 | H9 | 60.9° | 60.2° |
| H4 | C4 | C5 | H5 | 174.0° | 177.7° |
| H4 | C4 | O4 | H10 | 61.2° | 60.2° |
| H5 | C5 | C6 | H6 | 56.6° | 65.1° |
| H5 | C5 | C6 | H7 | 63.0° | 175.0° |
| H6 | C6 | O6 | H11 | 59.8° | 60.1° |
| H7 | C6 | O6 | H11 | 59.9° | 59.9° |
| H12 | C7 | C8 | H13 | 54.6° | 57.6° |
| H13 | C8 | C9 | H14 | 173.5° | 177.1° |
| H13 | C8 | O7 | H19 | 61.9° | 60.2° |
| H14 | C9 | C10 | H15 | 174.4° | 177.2° |
| H14 | C9 | O8 | H20 | 61.8° | 60.1° |
| H15 | C10 | C11 | H16 | 178.8° | 177.7° |
| H15 | C10 | O9 | H21 | 59.1° | 60.2° |
| H16 | C11 | C12 | H17 | 68.6° | 65.0° |
| H16 | C11 | C12 | H18 | 51.4° | 175.0° |
