64Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C1 | sing | 1.51Å | 1.51Å | |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | doub | 1.31Å | 1.34Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C8 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.31Å | 1.34Å | |
| O | C7 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| O | H15 | sing | 0.97Å | 0.95Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C1 | C | 121.3° | 120.0° |
| C9 | C1 | C2 | 117.5° | 120.0° |
| C1 | C9 | H12 | 109.5° | 109.5° |
| C1 | C9 | H13 | 109.5° | 109.5° |
| C1 | C9 | H14 | 109.5° | 109.5° |
| C | C1 | C2 | 121.1° | 120.0° |
| C1 | C | H16 | 109.5° | 109.5° |
| C1 | C | H17 | 109.5° | 109.4° |
| C1 | C | H18 | 109.4° | 109.4° |
| C1 | C2 | C3 | 120.5° | 120.0° |
| C1 | C2 | H1 | 119.7° | 120.0° |
| C2 | C3 | C4 | 103.4° | 109.5° |
| C3 | C2 | H1 | 119.8° | 120.0° |
| C2 | C3 | H2 | 111.0° | 109.5° |
| C2 | C3 | H3 | 111.0° | 109.5° |
| C3 | C4 | C5 | 109.7° | 109.5° |
| C4 | C3 | H2 | 111.0° | 109.5° |
| C4 | C3 | H3 | 111.0° | 109.5° |
| C3 | C4 | H4 | 109.4° | 109.5° |
| C3 | C4 | H5 | 109.4° | 109.5° |
| C4 | C5 | C8 | 120.1° | 120.0° |
| C4 | C5 | C6 | 119.4° | 120.0° |
| C5 | C4 | H4 | 109.4° | 109.5° |
| C5 | C4 | H5 | 109.4° | 109.4° |
| C8 | C5 | C6 | 120.6° | 120.0° |
| C5 | C8 | H9 | 109.5° | 109.5° |
| C5 | C8 | H10 | 109.5° | 109.5° |
| C5 | C8 | H11 | 109.4° | 109.4° |
| C5 | C6 | C7 | 119.3° | 120.0° |
| C5 | C6 | H6 | 120.3° | 120.0° |
| O | C7 | C6 | 110.0° | 109.5° |
| O | C7 | H7 | 109.3° | 109.4° |
| O | C7 | H8 | 109.3° | 109.5° |
| C7 | O | H15 | 109.5° | 114.0° |
| C7 | C6 | H6 | 120.4° | 120.0° |
| C6 | C7 | H7 | 109.3° | 109.5° |
| C6 | C7 | H8 | 109.3° | 109.5° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.4° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.4° | 109.5° |
| H9 | C8 | H11 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.4° |
| H12 | C9 | H14 | 109.5° | 109.4° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| H16 | C | H17 | 109.5° | 109.6° |
| H16 | C | H18 | 109.5° | 109.5° |
| H17 | C | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C1 | C | C2 | 179.5° | 179.7° |
| C9 | C1 | C2 | C3 | 179.4° | 5.9° |
| C9 | C1 | C2 | H1 | 0.6° | 174.0° |
| C1 | C9 | H12 | H13 | 120.0° | 120.0° |
| C1 | C9 | H12 | H14 | 120.0° | 120.0° |
| C1 | C9 | H13 | H14 | 120.0° | 120.0° |
| C9 | C1 | C | H16 | 180.0° | 179.7° |
| C9 | C1 | C | H17 | 60.0° | 60.2° |
| C9 | C1 | C | H18 | 60.0° | 59.7° |
| C | C1 | C2 | C3 | 1.0° | 173.8° |
| C | C1 | C2 | H1 | 178.9° | 6.3° |
| C | C1 | C9 | H12 | 180.0° | 94.9° |
| C | C1 | C9 | H13 | 60.0° | 25.0° |
| C | C1 | C9 | H14 | 60.0° | 145.1° |
| C1 | C | H16 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H18 | 120.0° | 120.0° |
| C1 | C | H17 | H18 | 120.0° | 119.9° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 139.8° | 121.3° |
| C1 | C2 | C3 | H2 | 20.8° | 118.8° |
| C1 | C2 | C3 | H3 | 101.1° | 1.3° |
| C2 | C1 | C9 | H12 | 0.5° | 84.8° |
| C2 | C1 | C9 | H13 | 119.5° | 155.3° |
| C2 | C1 | C9 | H14 | 120.5° | 35.2° |
| C2 | C1 | C | H16 | 0.5° | 0.0° |
| C2 | C1 | C | H17 | 120.5° | 120.1° |
| C2 | C1 | C | H18 | 119.5° | 120.0° |
| C2 | C3 | C4 | H2 | 119.0° | 120.0° |
| C2 | C3 | C4 | H3 | 119.0° | 120.0° |
| C2 | C3 | C4 | C5 | 171.9° | 180.0° |
| C2 | C3 | H2 | H3 | 122.8° | 120.0° |
| C2 | C3 | C4 | H4 | 68.0° | 60.0° |
| C2 | C3 | C4 | H5 | 51.9° | 60.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.1° |
| C3 | C4 | C5 | H5 | 120.1° | 120.0° |
| C3 | C4 | C5 | C8 | 39.3° | 85.0° |
| C3 | C4 | C5 | C6 | 140.5° | 95.0° |
| C4 | C3 | C2 | H1 | 40.2° | 58.7° |
| C4 | C3 | H2 | H3 | 122.8° | 120.0° |
| C3 | C4 | H4 | H5 | 119.9° | 120.0° |
| C4 | C5 | C8 | C6 | 179.9° | 180.0° |
| C4 | C5 | C6 | C7 | 179.5° | 180.0° |
| C5 | C4 | C3 | H2 | 52.9° | 60.0° |
| C5 | C4 | C3 | H3 | 69.0° | 60.1° |
| C5 | C4 | H4 | H5 | 119.9° | 119.9° |
| C4 | C5 | C6 | H6 | 0.5° | 0.0° |
| C4 | C5 | C8 | H9 | 180.0° | 90.0° |
| C4 | C5 | C8 | H10 | 60.0° | 150.0° |
| C4 | C5 | C8 | H11 | 60.0° | 30.0° |
| C8 | C5 | C6 | C7 | 0.6° | 0.0° |
| C8 | C5 | C4 | H4 | 159.4° | 155.0° |
| C8 | C5 | C4 | H5 | 80.7° | 35.0° |
| C8 | C5 | C6 | H6 | 179.4° | 180.0° |
| C5 | C8 | H9 | H10 | 120.0° | 120.0° |
| C5 | C8 | H9 | H11 | 120.0° | 120.0° |
| C5 | C8 | H10 | H11 | 120.0° | 120.0° |
| C5 | C6 | C7 | O | 81.1° | 135.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 20.5° | 25.1° |
| C6 | C5 | C4 | H5 | 99.4° | 145.0° |
| C5 | C6 | C7 | H7 | 158.9° | 105.0° |
| C5 | C6 | C7 | H8 | 39.0° | 15.0° |
| C6 | C5 | C8 | H9 | 0.1° | 90.0° |
| C6 | C5 | C8 | H10 | 120.1° | 30.0° |
| C6 | C5 | C8 | H11 | 119.9° | 150.0° |
| O | C7 | C6 | H7 | 120.1° | 119.9° |
| O | C7 | C6 | H8 | 120.1° | 120.0° |
| O | C7 | C6 | H6 | 98.9° | 45.0° |
| O | C7 | H7 | H8 | 119.7° | 120.0° |
| C6 | C7 | H7 | H8 | 119.7° | 120.0° |
| C6 | C7 | O | H15 | 180.0° | 179.9° |
| H1 | C2 | C3 | H2 | 159.2° | 61.3° |
| H1 | C2 | C3 | H3 | 78.8° | 178.7° |
| H2 | C3 | C4 | H4 | 172.9° | 179.9° |
| H2 | C3 | C4 | H5 | 67.1° | 60.0° |
| H3 | C3 | C4 | H4 | 51.0° | 60.0° |
| H3 | C3 | C4 | H5 | 170.9° | 180.0° |
| H6 | C6 | C7 | H7 | 21.1° | 75.0° |
| H6 | C6 | C7 | H8 | 141.0° | 165.0° |
| H7 | C7 | O | H15 | 59.9° | 60.1° |
| H8 | C7 | O | H15 | 60.0° | 59.9° |
| H9 | C8 | H10 | H11 | 120.0° | 120.0° |
| H12 | C9 | H13 | H14 | 120.0° | 119.9° |
| H16 | C | H17 | H18 | 120.0° | 120.0° |
