RDZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C2 | sing | 1.51Å | 1.49Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.31Å | 1.32Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C9 | sing | 1.51Å | 1.50Å | |
| C6 | C7 | doub | 1.31Å | 1.32Å | |
| C7 | C8 | sing | 1.51Å | 1.48Å | |
| C8 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | P1 | sing | 1.61Å | 1.63Å | |
| P1 | O4 | doub | 1.48Å | 1.54Å | |
| P1 | O3 | sing | 1.61Å | 1.48Å | |
| P1 | O2 | sing | 1.61Å | 1.49Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| O2 | H22 | sing | 0.97Å | 0.95Å | |
| O3 | H23 | sing | 0.97Å | 0.95Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C2 | C1 | 114.3° | 120.0° |
| C10 | C2 | C3 | 122.7° | 120.0° |
| C2 | C10 | H16 | 109.5° | 109.5° |
| C2 | C10 | H17 | 109.4° | 109.5° |
| C2 | C10 | H15 | 109.5° | 109.4° |
| C1 | C2 | C3 | 123.0° | 120.0° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C3 | C4 | 129.3° | 120.0° |
| C2 | C3 | H4 | 115.4° | 120.0° |
| C3 | C4 | C5 | 116.9° | 109.5° |
| C4 | C3 | H4 | 115.4° | 120.0° |
| C3 | C4 | H5 | 107.6° | 109.5° |
| C3 | C4 | H6 | 107.6° | 109.5° |
| C4 | C5 | C6 | 114.6° | 109.5° |
| C5 | C4 | H5 | 107.6° | 109.5° |
| C5 | C4 | H6 | 107.6° | 109.5° |
| C4 | C5 | H7 | 108.2° | 109.5° |
| C4 | C5 | H8 | 108.2° | 109.5° |
| C5 | C6 | C9 | 115.8° | 120.0° |
| C5 | C6 | C7 | 120.7° | 120.0° |
| C6 | C5 | H7 | 108.2° | 109.4° |
| C6 | C5 | H8 | 108.1° | 109.4° |
| C9 | C6 | C7 | 123.5° | 120.0° |
| C6 | C9 | H13 | 109.5° | 109.5° |
| C6 | C9 | H14 | 109.5° | 109.4° |
| C6 | C9 | H12 | 109.4° | 109.4° |
| C6 | C7 | C8 | 127.4° | 120.0° |
| C6 | C7 | H9 | 116.3° | 120.0° |
| C7 | C8 | O1 | 107.9° | 109.5° |
| C8 | C7 | H9 | 116.3° | 120.0° |
| C7 | C8 | H10 | 109.8° | 109.5° |
| C7 | C8 | H11 | 109.9° | 109.5° |
| C8 | O1 | P1 | 121.0° | 123.0° |
| O1 | C8 | H10 | 109.9° | 109.4° |
| O1 | C8 | H11 | 109.9° | 109.5° |
| O1 | P1 | O4 | 107.0° | 109.5° |
| O1 | P1 | O3 | 100.9° | 109.5° |
| O1 | P1 | O2 | 111.9° | 109.5° |
| O4 | P1 | O3 | 113.5° | 109.5° |
| O4 | P1 | O2 | 109.2° | 109.4° |
| O3 | P1 | O2 | 114.0° | 109.5° |
| P1 | O3 | H23 | 109.5° | 114.0° |
| P1 | O2 | H22 | 109.5° | 114.0° |
| H2 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.4° | 109.4° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| H13 | C9 | H12 | 109.5° | 109.5° |
| H14 | C9 | H12 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H16 | C10 | H15 | 109.4° | 109.5° |
| H17 | C10 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C2 | C1 | C3 | 179.3° | 180.0° |
| C10 | C2 | C3 | C4 | 126.5° | 174.5° |
| C10 | C2 | C1 | H2 | 180.0° | 125.0° |
| C10 | C2 | C1 | H3 | 60.0° | 5.1° |
| C10 | C2 | C1 | H1 | 60.0° | 115.0° |
| C10 | C2 | C3 | H4 | 53.5° | 5.4° |
| C2 | C10 | H16 | H17 | 120.0° | 120.0° |
| C2 | C10 | H16 | H15 | 120.0° | 119.9° |
| C2 | C10 | H17 | H15 | 120.0° | 119.9° |
| C1 | C2 | C3 | C4 | 52.8° | 5.5° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H1 | 120.0° | 120.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.1° |
| C1 | C2 | C3 | H4 | 127.2° | 174.6° |
| C1 | C2 | C10 | H16 | 180.0° | 0.0° |
| C1 | C2 | C10 | H17 | 60.0° | 120.0° |
| C1 | C2 | C10 | H15 | 60.0° | 120.0° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 32.2° | 125.4° |
| C3 | C2 | C1 | H2 | 0.7° | 55.0° |
| C3 | C2 | C1 | H3 | 119.3° | 174.9° |
| C3 | C2 | C1 | H1 | 120.7° | 65.0° |
| C2 | C3 | C4 | H5 | 153.3° | 114.6° |
| C2 | C3 | C4 | H6 | 88.8° | 5.4° |
| C3 | C2 | C10 | H16 | 0.6° | 180.0° |
| C3 | C2 | C10 | H17 | 120.7° | 59.9° |
| C3 | C2 | C10 | H15 | 119.3° | 60.0° |
| C3 | C4 | C5 | H5 | 121.1° | 120.0° |
| C3 | C4 | C5 | H6 | 121.1° | 120.0° |
| C3 | C4 | C5 | C6 | 148.3° | 180.0° |
| C3 | C4 | H5 | H6 | 116.6° | 120.0° |
| C3 | C4 | C5 | H7 | 90.9° | 60.0° |
| C3 | C4 | C5 | H8 | 27.6° | 60.0° |
| C4 | C5 | C6 | H7 | 120.8° | 120.0° |
| C4 | C5 | C6 | H8 | 120.8° | 120.0° |
| C4 | C5 | C6 | C9 | 168.6° | 84.9° |
| C4 | C5 | C6 | C7 | 12.4° | 95.0° |
| C5 | C4 | C3 | H4 | 147.8° | 54.5° |
| C5 | C4 | H5 | H6 | 116.6° | 120.0° |
| C4 | C5 | H7 | H8 | 117.7° | 120.0° |
| C5 | C6 | C9 | C7 | 179.0° | 179.9° |
| C5 | C6 | C7 | C8 | 164.9° | 179.9° |
| C6 | C5 | C4 | H5 | 27.3° | 60.0° |
| C6 | C5 | C4 | H6 | 90.6° | 60.0° |
| C6 | C5 | H7 | H8 | 117.6° | 119.9° |
| C5 | C6 | C7 | H9 | 15.1° | 0.1° |
| C5 | C6 | C9 | H13 | 180.0° | 89.9° |
| C5 | C6 | C9 | H14 | 60.0° | 150.1° |
| C5 | C6 | C9 | H12 | 60.0° | 30.1° |
| C9 | C6 | C7 | C8 | 16.1° | 0.0° |
| C9 | C6 | C5 | H7 | 70.7° | 155.0° |
| C9 | C6 | C5 | H8 | 47.8° | 35.0° |
| C9 | C6 | C7 | H9 | 163.8° | 180.0° |
| C6 | C9 | H13 | H14 | 120.0° | 120.0° |
| C6 | C9 | H13 | H12 | 120.0° | 120.0° |
| C6 | C9 | H14 | H12 | 120.0° | 120.0° |
| C6 | C7 | C8 | H9 | 180.0° | 180.0° |
| C6 | C7 | C8 | O1 | 108.4° | 135.1° |
| C7 | C6 | C5 | H7 | 108.3° | 25.1° |
| C7 | C6 | C5 | H8 | 133.2° | 145.1° |
| C6 | C7 | C8 | H10 | 131.9° | 105.0° |
| C6 | C7 | C8 | H11 | 11.4° | 15.0° |
| C7 | C6 | C9 | H13 | 1.0° | 90.0° |
| C7 | C6 | C9 | H14 | 119.0° | 30.0° |
| C7 | C6 | C9 | H12 | 121.0° | 150.0° |
| C7 | C8 | O1 | H10 | 119.7° | 120.0° |
| C7 | C8 | O1 | H11 | 119.8° | 120.1° |
| C7 | C8 | O1 | P1 | 150.5° | 180.0° |
| C7 | C8 | H10 | H11 | 120.7° | 120.1° |
| C8 | O1 | P1 | O4 | 61.0° | 55.0° |
| C8 | O1 | P1 | O3 | 179.9° | 65.0° |
| C8 | O1 | P1 | O2 | 58.5° | 175.0° |
| O1 | C8 | C7 | H9 | 71.6° | 44.9° |
| O1 | C8 | H10 | H11 | 120.7° | 120.0° |
| O1 | P1 | O4 | O3 | 110.3° | 120.0° |
| O1 | P1 | O4 | O2 | 121.3° | 120.0° |
| O1 | P1 | O3 | O2 | 120.1° | 120.0° |
| P1 | O1 | C8 | H10 | 30.8° | 60.0° |
| P1 | O1 | C8 | H11 | 89.7° | 59.9° |
| O1 | P1 | O2 | H22 | 118.3° | 180.0° |
| O1 | P1 | O3 | H23 | 114.0° | 60.0° |
| O4 | P1 | O3 | O2 | 125.9° | 119.9° |
| O4 | P1 | O2 | H22 | 0.0° | 60.0° |
| O4 | P1 | O3 | H23 | 0.0° | 180.0° |
| O3 | P1 | O2 | H22 | 128.1° | 60.0° |
| O2 | P1 | O3 | H23 | 125.9° | 60.0° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 26.7° | 65.5° |
| H4 | C3 | C4 | H6 | 91.2° | 174.6° |
| H5 | C4 | C5 | H7 | 148.0° | 180.0° |
| H5 | C4 | C5 | H8 | 93.5° | 60.0° |
| H6 | C4 | C5 | H7 | 30.2° | 60.0° |
| H6 | C4 | C5 | H8 | 148.7° | 180.0° |
| H9 | C7 | C8 | H10 | 48.1° | 75.0° |
| H9 | C7 | C8 | H11 | 168.6° | 165.0° |
| H13 | C9 | H14 | H12 | 120.0° | 120.0° |
| H16 | C10 | H17 | H15 | 120.0° | 120.0° |
