HZZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C08 | sing | 1.51Å | 1.52Å | |
| C08 | C07 | doub | 1.31Å | 1.32Å | |
| C08 | C09 | sing | 1.51Å | 1.53Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | doub | 1.31Å | 1.32Å | |
| C11 | C09 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C14 | C13 | sing | 1.51Å | 1.53Å | |
| C13 | C15 | sing | 1.51Å | 1.53Å | |
| C06 | O05 | sing | 1.43Å | 1.40Å | |
| O05 | P02 | sing | 1.61Å | 1.65Å | |
| O04 | P02 | doub | 1.48Å | 1.51Å | |
| P02 | O03 | sing | 1.61Å | 1.51Å | |
| P02 | O01 | sing | 1.61Å | 1.51Å | |
| C06 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| O01 | H18 | sing | 0.97Å | 0.95Å | |
| O03 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C08 | C07 | 119.5° | 120.0° |
| C10 | C08 | C09 | 119.9° | 120.0° |
| C08 | C10 | H6 | 109.5° | 109.4° |
| C08 | C10 | H7 | 109.5° | 109.4° |
| C08 | C10 | H8 | 109.5° | 109.5° |
| C07 | C08 | C09 | 120.6° | 120.0° |
| C08 | C07 | C06 | 120.5° | 120.0° |
| C08 | C07 | H3 | 119.7° | 120.1° |
| C08 | C09 | C11 | 112.3° | 109.5° |
| C08 | C09 | H4 | 108.7° | 109.5° |
| C08 | C09 | H5 | 108.7° | 109.4° |
| C11 | C12 | C13 | 120.7° | 120.0° |
| C12 | C11 | C09 | 112.3° | 109.5° |
| C12 | C11 | H9 | 108.7° | 109.4° |
| C12 | C11 | H10 | 108.7° | 109.4° |
| C11 | C12 | H11 | 119.6° | 120.0° |
| C12 | C13 | C14 | 119.8° | 120.0° |
| C12 | C13 | C15 | 120.4° | 120.0° |
| C13 | C12 | H11 | 119.6° | 120.0° |
| C11 | C09 | H4 | 108.8° | 109.5° |
| C11 | C09 | H5 | 108.8° | 109.5° |
| C09 | C11 | H9 | 108.8° | 109.5° |
| C09 | C11 | H10 | 108.7° | 109.5° |
| C07 | C06 | O05 | 108.5° | 109.5° |
| C07 | C06 | H1 | 109.7° | 109.5° |
| C07 | C06 | H2 | 109.7° | 109.5° |
| C06 | C07 | H3 | 119.7° | 120.0° |
| C14 | C13 | C15 | 119.8° | 120.0° |
| C13 | C14 | H12 | 109.5° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.5° |
| C13 | C14 | H14 | 109.4° | 109.5° |
| C13 | C15 | H15 | 109.5° | 109.4° |
| C13 | C15 | H16 | 109.5° | 109.4° |
| C13 | C15 | H17 | 109.5° | 109.5° |
| C06 | O05 | P02 | 118.1° | 123.0° |
| O05 | C06 | H1 | 109.7° | 109.5° |
| O05 | C06 | H2 | 109.7° | 109.4° |
| O05 | P02 | O04 | 109.1° | 109.5° |
| O05 | P02 | O03 | 109.5° | 109.5° |
| O05 | P02 | O01 | 109.6° | 109.5° |
| O04 | P02 | O03 | 109.5° | 109.4° |
| O04 | P02 | O01 | 109.6° | 109.5° |
| O03 | P02 | O01 | 109.6° | 109.5° |
| P02 | O03 | H19 | 109.5° | 114.0° |
| P02 | O01 | H18 | 109.5° | 114.0° |
| H1 | C06 | H2 | 109.5° | 109.4° |
| H4 | C09 | H5 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H6 | C10 | H8 | 109.5° | 109.4° |
| H7 | C10 | H8 | 109.4° | 109.6° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H12 | C14 | H14 | 109.4° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.4° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H17 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C08 | C07 | C09 | 179.9° | 180.0° |
| C10 | C08 | C09 | C11 | 22.1° | 89.0° |
| C10 | C08 | C07 | C06 | 179.9° | 175.5° |
| C10 | C08 | C07 | H3 | 0.1° | 4.5° |
| C10 | C08 | C09 | H4 | 142.5° | 31.1° |
| C10 | C08 | C09 | H5 | 98.3° | 151.1° |
| C08 | C10 | H6 | H7 | 120.0° | 119.9° |
| C08 | C10 | H6 | H8 | 120.0° | 120.0° |
| C08 | C10 | H7 | H8 | 120.0° | 120.0° |
| C07 | C08 | C09 | C11 | 158.0° | 91.0° |
| C08 | C07 | C06 | H3 | 180.0° | 180.0° |
| C08 | C07 | C06 | O05 | 125.4° | 135.6° |
| C08 | C07 | C06 | H1 | 114.7° | 15.5° |
| C08 | C07 | C06 | H2 | 5.6° | 104.5° |
| C07 | C08 | C09 | H4 | 37.5° | 148.9° |
| C07 | C08 | C09 | H5 | 81.6° | 28.9° |
| C07 | C08 | C10 | H6 | 180.0° | 90.0° |
| C07 | C08 | C10 | H7 | 60.0° | 150.0° |
| C07 | C08 | C10 | H8 | 60.0° | 29.9° |
| C08 | C09 | C11 | C12 | 135.4° | 180.0° |
| C08 | C09 | C11 | H4 | 120.4° | 120.0° |
| C08 | C09 | C11 | H5 | 120.4° | 119.9° |
| C09 | C08 | C07 | C06 | 0.0° | 4.5° |
| C09 | C08 | C07 | H3 | 180.0° | 175.5° |
| C08 | C09 | H4 | H5 | 118.7° | 120.0° |
| C09 | C08 | C10 | H6 | 0.1° | 90.0° |
| C09 | C08 | C10 | H7 | 119.9° | 29.9° |
| C09 | C08 | C10 | H8 | 120.1° | 150.0° |
| C08 | C09 | C11 | H9 | 104.1° | 60.0° |
| C08 | C09 | C11 | H10 | 15.0° | 60.1° |
| C11 | C12 | C13 | H11 | 180.0° | 179.9° |
| C12 | C11 | C09 | H9 | 120.4° | 120.0° |
| C12 | C11 | C09 | H10 | 120.4° | 120.0° |
| C11 | C12 | C13 | C14 | 180.0° | 171.8° |
| C11 | C12 | C13 | C15 | 0.1° | 8.2° |
| C12 | C11 | C09 | H4 | 104.2° | 60.0° |
| C12 | C11 | C09 | H5 | 15.0° | 60.0° |
| C12 | C11 | H9 | H10 | 118.7° | 120.0° |
| C13 | C12 | C11 | C09 | 112.6° | 116.0° |
| C12 | C13 | C14 | C15 | 180.0° | 180.0° |
| C13 | C12 | C11 | H9 | 7.9° | 123.9° |
| C13 | C12 | C11 | H10 | 127.0° | 3.9° |
| C12 | C13 | C14 | H12 | 180.0° | 90.0° |
| C12 | C13 | C14 | H13 | 60.0° | 150.0° |
| C12 | C13 | C14 | H14 | 60.0° | 30.0° |
| C12 | C13 | C15 | H15 | 180.0° | 5.7° |
| C12 | C13 | C15 | H16 | 60.0° | 125.7° |
| C12 | C13 | C15 | H17 | 60.0° | 114.3° |
| C11 | C09 | H4 | H5 | 118.7° | 120.0° |
| C09 | C11 | H9 | H10 | 118.7° | 120.0° |
| C09 | C11 | C12 | H11 | 67.4° | 63.9° |
| C07 | C06 | O05 | H1 | 119.8° | 120.0° |
| C07 | C06 | O05 | H2 | 119.8° | 120.0° |
| C07 | C06 | O05 | P02 | 129.3° | 180.0° |
| C07 | C06 | H1 | H2 | 120.4° | 120.0° |
| C14 | C13 | C12 | H11 | 0.0° | 8.3° |
| C13 | C14 | H12 | H13 | 120.0° | 120.0° |
| C13 | C14 | H12 | H14 | 120.0° | 120.1° |
| C13 | C14 | H13 | H14 | 120.0° | 120.0° |
| C14 | C13 | C15 | H15 | 0.0° | 174.3° |
| C14 | C13 | C15 | H16 | 120.0° | 54.3° |
| C14 | C13 | C15 | H17 | 120.0° | 65.7° |
| C15 | C13 | C12 | H11 | 179.9° | 171.8° |
| C15 | C13 | C14 | H12 | 0.0° | 90.0° |
| C15 | C13 | C14 | H13 | 120.1° | 30.0° |
| C15 | C13 | C14 | H14 | 120.0° | 150.0° |
| C13 | C15 | H15 | H16 | 120.0° | 119.9° |
| C13 | C15 | H15 | H17 | 120.0° | 120.0° |
| C13 | C15 | H16 | H17 | 120.0° | 120.0° |
| C06 | O05 | P02 | O04 | 73.1° | 55.1° |
| C06 | O05 | P02 | O03 | 46.7° | 175.0° |
| C06 | O05 | P02 | O01 | 166.9° | 65.0° |
| O05 | C06 | H1 | H2 | 120.5° | 119.9° |
| O05 | C06 | C07 | H3 | 54.6° | 44.4° |
| O05 | P02 | O04 | O03 | 119.8° | 120.0° |
| O05 | P02 | O04 | O01 | 120.0° | 120.0° |
| O05 | P02 | O03 | O01 | 120.3° | 120.0° |
| P02 | O05 | C06 | H1 | 9.5° | 59.9° |
| P02 | O05 | C06 | H2 | 110.8° | 60.0° |
| O05 | P02 | O01 | H18 | 119.6° | 60.1° |
| O05 | P02 | O03 | H19 | 119.6° | 180.0° |
| O04 | P02 | O03 | O01 | 120.2° | 120.0° |
| O04 | P02 | O01 | H18 | 0.0° | 179.9° |
| O04 | P02 | O03 | H19 | 0.0° | 60.0° |
| O03 | P02 | O01 | H18 | 120.1° | 59.9° |
| O01 | P02 | O03 | H19 | 120.2° | 60.0° |
| H1 | C06 | C07 | H3 | 65.3° | 164.5° |
| H2 | C06 | C07 | H3 | 174.4° | 75.6° |
| H4 | C09 | C11 | H9 | 16.3° | 180.0° |
| H4 | C09 | C11 | H10 | 135.4° | 59.9° |
| H5 | C09 | C11 | H9 | 135.5° | 59.9° |
| H5 | C09 | C11 | H10 | 105.4° | NaN° |
| H6 | C10 | H7 | H8 | 120.0° | 120.0° |
| H9 | C11 | C12 | H11 | 172.1° | 56.1° |
| H10 | C11 | C12 | H11 | 53.0° | 176.1° |
| H12 | C14 | H13 | H14 | 120.0° | 120.0° |
| H15 | C15 | H16 | H17 | 120.0° | 120.1° |
