480
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | sing | 1.53Å | 1.49Å | |
| C6 | C5 | sing | 1.53Å | 1.49Å | |
| C7 | C8 | sing | 1.53Å | 1.49Å | |
| C5 | C4 | sing | 1.53Å | 1.49Å | |
| C4 | C3 | sing | 1.53Å | 1.49Å | |
| C3 | C2 | sing | 1.53Å | 1.49Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| O19 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | O20 | sing | 1.34Å | 1.38Å | |
| O20 | C21 | sing | 1.45Å | 1.38Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C24 | C22 | sing | 1.53Å | 1.49Å | |
| C24 | O25 | sing | 1.43Å | 1.38Å | |
| C22 | O23 | sing | 1.43Å | 1.38Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| O25 | H21 | sing | 0.97Å | 0.95Å | |
| O23 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 109.3° | 109.4° |
| C6 | C7 | C8 | 109.5° | 109.5° |
| C6 | C7 | H6 | 109.5° | 109.5° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C7 | C6 | H8 | 109.5° | 109.5° |
| C7 | C6 | H9 | 109.5° | 109.5° |
| C6 | C5 | C4 | 108.3° | 109.4° |
| C5 | C6 | H8 | 109.5° | 109.4° |
| C5 | C6 | H9 | 109.5° | 109.4° |
| C6 | C5 | H10 | 109.8° | 109.5° |
| C6 | C5 | H11 | 109.8° | 109.5° |
| C7 | C8 | H1 | 109.5° | 109.5° |
| C7 | C8 | H2 | 109.4° | 109.5° |
| C7 | C8 | H3 | 109.4° | 109.5° |
| C8 | C7 | H6 | 109.5° | 109.5° |
| C8 | C7 | H7 | 109.5° | 109.5° |
| C5 | C4 | C3 | 109.1° | 109.4° |
| C4 | C5 | H10 | 109.8° | 109.5° |
| C4 | C5 | H11 | 109.8° | 109.4° |
| C5 | C4 | H12 | 109.6° | 109.5° |
| C5 | C4 | H13 | 109.5° | 109.5° |
| C4 | C3 | C2 | 110.4° | 109.4° |
| C3 | C4 | H12 | 109.6° | 109.5° |
| C3 | C4 | H13 | 109.6° | 109.5° |
| C4 | C3 | H14 | 109.2° | 109.5° |
| C4 | C3 | H15 | 109.3° | 109.4° |
| C3 | C2 | C1 | 107.7° | 109.5° |
| C2 | C3 | H14 | 109.2° | 109.5° |
| C2 | C3 | H15 | 109.3° | 109.5° |
| C3 | C2 | H16 | 109.9° | 109.5° |
| C3 | C2 | H17 | 109.9° | 109.5° |
| C2 | C1 | O19 | 118.6° | 120.0° |
| C2 | C1 | O20 | 117.2° | 120.0° |
| C1 | C2 | H16 | 109.9° | 109.5° |
| C1 | C2 | H17 | 109.9° | 109.4° |
| O19 | C1 | O20 | 119.2° | 120.0° |
| C1 | O20 | C21 | 120.7° | 117.0° |
| O20 | C21 | C22 | 110.2° | 109.5° |
| O20 | C21 | H18 | 109.3° | 109.5° |
| O20 | C21 | H19 | 109.3° | 109.5° |
| C21 | C22 | C24 | 110.5° | 109.5° |
| C21 | C22 | O23 | 110.5° | 109.5° |
| C22 | C21 | H18 | 109.3° | 109.5° |
| C22 | C21 | H19 | 109.3° | 109.4° |
| C21 | C22 | H20 | 108.3° | 109.4° |
| C22 | C24 | O25 | 109.4° | 109.5° |
| C24 | C22 | O23 | 109.2° | 109.5° |
| C22 | C24 | H4 | 109.5° | 109.5° |
| C22 | C24 | H5 | 109.5° | 109.5° |
| C24 | C22 | H20 | 108.4° | 109.5° |
| O25 | C24 | H4 | 109.5° | 109.5° |
| O25 | C24 | H5 | 109.5° | 109.5° |
| C24 | O25 | H21 | 109.5° | 114.0° |
| O23 | C22 | H20 | 110.0° | 109.5° |
| C22 | O23 | H22 | 109.5° | 114.0° |
| H1 | C8 | H2 | 109.5° | 109.5° |
| H1 | C8 | H3 | 109.5° | 109.5° |
| H2 | C8 | H3 | 109.5° | 109.4° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.4° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.5° |
| H12 | C4 | H13 | 109.5° | 109.5° |
| H14 | C3 | H15 | 109.4° | 109.5° |
| H16 | C2 | H17 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H8 | 120.0° | 120.0° |
| C7 | C6 | C5 | H9 | 120.0° | 120.0° |
| C6 | C7 | C8 | H6 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C7 | C6 | C5 | C4 | 64.7° | 180.0° |
| C6 | C7 | C8 | H1 | 180.0° | 180.0° |
| C6 | C7 | C8 | H2 | 60.0° | 60.0° |
| C6 | C7 | C8 | H3 | 60.0° | 60.0° |
| C6 | C7 | H6 | H7 | 120.0° | 120.0° |
| C7 | C6 | H8 | H9 | 120.1° | 120.1° |
| C7 | C6 | C5 | H10 | 55.1° | 60.0° |
| C7 | C6 | C5 | H11 | 175.5° | 60.0° |
| C5 | C6 | C7 | C8 | 50.2° | 180.0° |
| C6 | C5 | C4 | H10 | 119.8° | 120.0° |
| C6 | C5 | C4 | H11 | 119.8° | 120.0° |
| C6 | C5 | C4 | C3 | 109.5° | 180.0° |
| C5 | C6 | C7 | H6 | 69.8° | 60.0° |
| C5 | C6 | C7 | H7 | 170.3° | 60.0° |
| C5 | C6 | H8 | H9 | 120.1° | 120.0° |
| C6 | C5 | H10 | H11 | 120.6° | 120.1° |
| C6 | C5 | C4 | H12 | 130.5° | 60.0° |
| C6 | C5 | C4 | H13 | 10.5° | 60.0° |
| C7 | C8 | H1 | H2 | 120.0° | 120.0° |
| C7 | C8 | H1 | H3 | 120.0° | 120.0° |
| C7 | C8 | H2 | H3 | 119.9° | 120.0° |
| C8 | C7 | H6 | H7 | 120.0° | 120.0° |
| C8 | C7 | C6 | H8 | 69.8° | 60.0° |
| C8 | C7 | C6 | H9 | 170.2° | 60.0° |
| C5 | C4 | C3 | H12 | 120.0° | 120.0° |
| C5 | C4 | C3 | H13 | 119.9° | 120.0° |
| C5 | C4 | C3 | C2 | 110.4° | 180.0° |
| C4 | C5 | C6 | H8 | 175.3° | 60.0° |
| C4 | C5 | C6 | H9 | 55.3° | 60.0° |
| C4 | C5 | H10 | H11 | 120.5° | 120.0° |
| C5 | C4 | H12 | H13 | 120.1° | 120.0° |
| C5 | C4 | C3 | H14 | 9.7° | 60.0° |
| C5 | C4 | C3 | H15 | 129.4° | 60.0° |
| C4 | C3 | C2 | H14 | 120.1° | 120.0° |
| C4 | C3 | C2 | H15 | 120.2° | 120.0° |
| C4 | C3 | C2 | C1 | 128.6° | 180.0° |
| C3 | C4 | C5 | H10 | 10.3° | 60.0° |
| C3 | C4 | C5 | H11 | 130.7° | 60.0° |
| C3 | C4 | H12 | H13 | 120.2° | 120.1° |
| C4 | C3 | H14 | H15 | 119.6° | 120.0° |
| C4 | C3 | C2 | H16 | 8.8° | 60.0° |
| C4 | C3 | C2 | H17 | 111.7° | 60.0° |
| C3 | C2 | C1 | H16 | 119.7° | 120.0° |
| C3 | C2 | C1 | H17 | 119.7° | 120.0° |
| C3 | C2 | C1 | O19 | 122.9° | 0.0° |
| C3 | C2 | C1 | O20 | 31.9° | 180.0° |
| C2 | C3 | C4 | H12 | 129.6° | 60.0° |
| C2 | C3 | C4 | H13 | 9.5° | 60.0° |
| C2 | C3 | H14 | H15 | 119.6° | 120.1° |
| C3 | C2 | H16 | H17 | 120.8° | 120.1° |
| C2 | C1 | O19 | O20 | 154.3° | 180.0° |
| C2 | C1 | O20 | C21 | 131.1° | 180.0° |
| C1 | C2 | C3 | H14 | 111.3° | 60.0° |
| C1 | C2 | C3 | H15 | 8.4° | 60.0° |
| C1 | C2 | H16 | H17 | 120.8° | 119.9° |
| O19 | C1 | O20 | C21 | 23.5° | 0.0° |
| O19 | C1 | C2 | H16 | 3.2° | 120.0° |
| O19 | C1 | C2 | H17 | 117.4° | 120.0° |
| C1 | O20 | C21 | C22 | 161.7° | 180.0° |
| O20 | C1 | C2 | H16 | 151.6° | 60.0° |
| O20 | C1 | C2 | H17 | 87.8° | 60.0° |
| C1 | O20 | C21 | H18 | 78.2° | 60.0° |
| C1 | O20 | C21 | H19 | 41.6° | 60.0° |
| O20 | C21 | C22 | H18 | 120.1° | 120.0° |
| O20 | C21 | C22 | H19 | 120.1° | 120.0° |
| O20 | C21 | C22 | C24 | 134.4° | 175.0° |
| O20 | C21 | C22 | O23 | 13.5° | 65.0° |
| O20 | C21 | H18 | H19 | 119.7° | 120.0° |
| O20 | C21 | C22 | H20 | 107.0° | 55.0° |
| C21 | C22 | C24 | O23 | 121.7° | 120.0° |
| C21 | C22 | C24 | H20 | 118.5° | 120.0° |
| C21 | C22 | C24 | O25 | 155.9° | 175.0° |
| C21 | C22 | O23 | H20 | 119.5° | 120.0° |
| C21 | C22 | C24 | H4 | 35.9° | 65.0° |
| C21 | C22 | C24 | H5 | 84.1° | 55.0° |
| C22 | C21 | H18 | H19 | 119.7° | 119.9° |
| C21 | C22 | O23 | H22 | 180.0° | 60.0° |
| C22 | C24 | O25 | H4 | 120.0° | 120.0° |
| C22 | C24 | O25 | H5 | 120.0° | 120.0° |
| C24 | C22 | O23 | H20 | 118.8° | 120.0° |
| C22 | C24 | H4 | H5 | 120.0° | 120.0° |
| C24 | C22 | C21 | H18 | 14.3° | 55.0° |
| C24 | C22 | C21 | H19 | 105.5° | 65.0° |
| C22 | C24 | O25 | H21 | 180.0° | 180.0° |
| C24 | C22 | O23 | H22 | 58.2° | 60.0° |
| O25 | C24 | C22 | O23 | 34.2° | 65.0° |
| O25 | C24 | H4 | H5 | 120.1° | 120.0° |
| O25 | C24 | C22 | H20 | 85.6° | 55.0° |
| O23 | C22 | C24 | H4 | 85.8° | 55.0° |
| O23 | C22 | C24 | H5 | 154.2° | 175.0° |
| O23 | C22 | C21 | H18 | 106.6° | 175.0° |
| O23 | C22 | C21 | H19 | 133.6° | 55.1° |
| H1 | C8 | H2 | H3 | 120.0° | 120.0° |
| H1 | C8 | C7 | H6 | 60.0° | 59.9° |
| H1 | C8 | C7 | H7 | 60.0° | 60.0° |
| H2 | C8 | C7 | H6 | 180.0° | 60.0° |
| H2 | C8 | C7 | H7 | 60.0° | 180.0° |
| H3 | C8 | C7 | H6 | 60.0° | 180.0° |
| H3 | C8 | C7 | H7 | 180.0° | 60.0° |
| H4 | C24 | C22 | H20 | 154.5° | 175.0° |
| H4 | C24 | O25 | H21 | 60.1° | 60.0° |
| H5 | C24 | C22 | H20 | 34.4° | 65.0° |
| H5 | C24 | O25 | H21 | 60.0° | 60.0° |
| H6 | C7 | C6 | H8 | 170.2° | 179.9° |
| H6 | C7 | C6 | H9 | 50.2° | 60.0° |
| H7 | C7 | C6 | H8 | 50.3° | 60.0° |
| H7 | C7 | C6 | H9 | 69.8° | 180.0° |
| H8 | C6 | C5 | H10 | 64.9° | 180.0° |
| H8 | C6 | C5 | H11 | 55.5° | 59.9° |
| H9 | C6 | C5 | H10 | 175.1° | 60.0° |
| H9 | C6 | C5 | H11 | 64.6° | 179.9° |
| H10 | C5 | C4 | H12 | 109.6° | 180.0° |
| H10 | C5 | C4 | H13 | 130.3° | 60.0° |
| H11 | C5 | C4 | H12 | 10.7° | 60.0° |
| H11 | C5 | C4 | H13 | 109.4° | 180.0° |
| H12 | C4 | C3 | H14 | 110.3° | 180.0° |
| H12 | C4 | C3 | H15 | 9.4° | 60.0° |
| H13 | C4 | C3 | H14 | 129.6° | 60.0° |
| H13 | C4 | C3 | H15 | 110.7° | 180.0° |
| H14 | C3 | C2 | H16 | 129.0° | 180.0° |
| H14 | C3 | C2 | H17 | 8.4° | 60.0° |
| H15 | C3 | C2 | H16 | 111.3° | 60.0° |
| H15 | C3 | C2 | H17 | 128.1° | 180.0° |
| H18 | C21 | C22 | H20 | 132.9° | 65.0° |
| H19 | C21 | C22 | H20 | 13.1° | 175.0° |
| H20 | C22 | O23 | H22 | 60.5° | 180.0° |
