8Z9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CG | CF | sing | 1.53Å | 1.54Å | |
| O2 | C1 | doub | 1.21Å | 1.28Å | |
| CF | CE | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.34Å | 1.28Å | |
| C1 | C2 | sing | 1.51Å | 1.56Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| CE | CD | sing | 1.53Å | 1.54Å | |
| CD | CC | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| CC | CB | sing | 1.53Å | 1.54Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| CA | C9 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | doub | 1.31Å | 1.35Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| CA | H16 | sing | 1.09Å | 1.10Å | |
| CA | H17 | sing | 1.09Å | 1.10Å | |
| CB | H18 | sing | 1.09Å | 1.10Å | |
| CC | H19 | sing | 1.09Å | 1.10Å | |
| CD | H20 | sing | 1.09Å | 1.10Å | |
| CD | H21 | sing | 1.09Å | 1.10Å | |
| CE | H22 | sing | 1.09Å | 1.10Å | |
| CE | H23 | sing | 1.09Å | 1.10Å | |
| CF | H24 | sing | 1.09Å | 1.10Å | |
| CF | H25 | sing | 1.09Å | 1.10Å | |
| CG | H26 | sing | 1.09Å | 1.10Å | |
| CG | H27 | sing | 1.09Å | 1.10Å | |
| CG | H28 | sing | 1.09Å | 1.10Å | |
| CB | H29 | sing | 1.09Å | 1.10Å | |
| CC | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CG | CF | CE | 114.6° | 109.4° |
| CG | CF | H24 | 108.2° | 109.5° |
| CG | CF | H25 | 108.2° | 109.5° |
| CF | CG | H26 | 109.5° | 109.4° |
| CF | CG | H27 | 109.5° | 109.5° |
| CF | CG | H28 | 109.5° | 109.5° |
| O2 | C1 | O1 | 120.3° | 120.0° |
| O2 | C1 | C2 | 119.6° | 120.0° |
| CF | CE | CD | 114.7° | 109.5° |
| CF | CE | H22 | 108.2° | 109.5° |
| CF | CE | H23 | 108.2° | 109.5° |
| CE | CF | H24 | 108.2° | 109.5° |
| CE | CF | H25 | 108.2° | 109.5° |
| O1 | C1 | C2 | 120.0° | 120.0° |
| C1 | O1 | H1 | 109.5° | 117.0° |
| C1 | C2 | C3 | 114.1° | 109.5° |
| C1 | C2 | H2 | 108.3° | 109.5° |
| C1 | C2 | H3 | 108.3° | 109.5° |
| C2 | C3 | C4 | 114.9° | 109.5° |
| C3 | C2 | H2 | 108.3° | 109.5° |
| C3 | C2 | H3 | 108.3° | 109.4° |
| C2 | C3 | H4 | 108.1° | 109.5° |
| C2 | C3 | H5 | 108.1° | 109.4° |
| CE | CD | CC | 115.3° | 109.5° |
| CE | CD | H20 | 108.0° | 109.5° |
| CE | CD | H21 | 108.0° | 109.5° |
| CD | CE | H22 | 108.1° | 109.5° |
| CD | CE | H23 | 108.1° | 109.4° |
| CD | CC | CB | 115.2° | 109.5° |
| CD | CC | H19 | 108.0° | 109.4° |
| CC | CD | H20 | 108.0° | 109.5° |
| CC | CD | H21 | 108.0° | 109.5° |
| CD | CC | H30 | 108.0° | 109.5° |
| C3 | C4 | C5 | 116.2° | 109.4° |
| C4 | C3 | H4 | 108.1° | 109.5° |
| C4 | C3 | H5 | 108.1° | 109.5° |
| C3 | C4 | H6 | 107.8° | 109.5° |
| C3 | C4 | H7 | 107.8° | 109.5° |
| CC | CB | CA | 115.3° | 109.5° |
| CC | CB | H18 | 108.0° | 109.5° |
| CB | CC | H19 | 108.0° | 109.4° |
| CC | CB | H29 | 108.0° | 109.5° |
| CB | CC | H30 | 108.0° | 109.5° |
| CB | CA | C9 | 114.9° | 109.5° |
| CB | CA | H16 | 108.1° | 109.5° |
| CB | CA | H17 | 108.1° | 109.5° |
| CA | CB | H18 | 108.0° | 109.5° |
| CA | CB | H29 | 108.0° | 109.5° |
| C4 | C5 | C6 | 116.6° | 109.5° |
| C5 | C4 | H6 | 107.7° | 109.5° |
| C5 | C4 | H7 | 107.7° | 109.4° |
| C4 | C5 | H8 | 107.7° | 109.5° |
| C4 | C5 | H9 | 107.6° | 109.5° |
| C5 | C6 | C7 | 125.4° | 120.0° |
| C6 | C5 | H8 | 107.7° | 109.5° |
| C6 | C5 | H9 | 107.7° | 109.4° |
| C5 | C6 | H10 | 117.3° | 120.0° |
| CA | C9 | C8 | 115.8° | 109.5° |
| CA | C9 | H14 | 107.8° | 109.5° |
| CA | C9 | H15 | 107.9° | 109.5° |
| C9 | CA | H16 | 108.1° | 109.5° |
| C9 | CA | H17 | 108.1° | 109.5° |
| C6 | C7 | C8 | 124.8° | 120.0° |
| C7 | C6 | H10 | 117.3° | 120.0° |
| C6 | C7 | H11 | 117.6° | 120.0° |
| C7 | C8 | C9 | 116.4° | 109.5° |
| C8 | C7 | H11 | 117.6° | 120.0° |
| C7 | C8 | H12 | 107.7° | 109.4° |
| C7 | C8 | H13 | 107.7° | 109.5° |
| C9 | C8 | H12 | 107.7° | 109.4° |
| C9 | C8 | H13 | 107.7° | 109.5° |
| C8 | C9 | H14 | 107.9° | 109.4° |
| C8 | C9 | H15 | 107.9° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| H16 | CA | H17 | 109.5° | 109.5° |
| H18 | CB | H29 | 109.5° | 109.5° |
| H19 | CC | H30 | 109.5° | 109.5° |
| H20 | CD | H21 | 109.4° | 109.4° |
| H22 | CE | H23 | 109.5° | 109.4° |
| H24 | CF | H25 | 109.5° | 109.5° |
| H26 | CG | H27 | 109.5° | 109.5° |
| H26 | CG | H28 | 109.5° | 109.4° |
| H27 | CG | H28 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG | CF | CE | H24 | 120.8° | 120.0° |
| CG | CF | CE | H25 | 120.7° | 120.0° |
| CG | CF | CE | CD | 6.2° | 180.0° |
| CG | CF | CE | H22 | 127.0° | 60.0° |
| CG | CF | CE | H23 | 114.5° | 60.0° |
| CG | CF | H24 | H25 | 117.7° | 120.0° |
| CF | CG | H26 | H27 | 120.0° | 120.1° |
| CF | CG | H26 | H28 | 120.0° | 119.9° |
| CF | CG | H27 | H28 | 120.0° | 120.0° |
| O2 | C1 | O1 | C2 | 179.9° | 179.7° |
| O2 | C1 | C2 | C3 | 167.2° | 0.3° |
| O2 | C1 | O1 | H1 | 0.0° | 0.3° |
| O2 | C1 | C2 | H2 | 46.5° | 119.8° |
| O2 | C1 | C2 | H3 | 72.1° | 120.3° |
| CF | CE | CD | H22 | 120.8° | 120.1° |
| CF | CE | CD | H23 | 120.8° | 120.0° |
| CF | CE | CD | CC | 144.2° | 180.0° |
| CF | CE | CD | H20 | 23.3° | 60.0° |
| CF | CE | CD | H21 | 95.0° | 60.0° |
| CF | CE | H22 | H23 | 117.7° | 120.0° |
| CE | CF | H24 | H25 | 117.7° | 120.0° |
| CE | CF | CG | H26 | 180.0° | 60.0° |
| CE | CF | CG | H27 | 60.0° | 60.0° |
| CE | CF | CG | H28 | 60.0° | 179.9° |
| O1 | C1 | C2 | C3 | 12.8° | 180.0° |
| O1 | C1 | C2 | H2 | 133.5° | 59.9° |
| O1 | C1 | C2 | H3 | 107.9° | 60.1° |
| C1 | C2 | C3 | H2 | 120.7° | 120.1° |
| C1 | C2 | C3 | H3 | 120.7° | 120.0° |
| C1 | C2 | C3 | C4 | 119.9° | 180.0° |
| C2 | C1 | O1 | H1 | 179.9° | 180.0° |
| C1 | C2 | H2 | H3 | 117.9° | 120.0° |
| C1 | C2 | C3 | H4 | 119.3° | 60.0° |
| C1 | C2 | C3 | H5 | 0.9° | 60.0° |
| C2 | C3 | C4 | H4 | 120.8° | 120.0° |
| C2 | C3 | C4 | H5 | 120.8° | 120.0° |
| C2 | C3 | C4 | C5 | 22.2° | 180.0° |
| C3 | C2 | H2 | H3 | 117.8° | 119.9° |
| C2 | C3 | H4 | H5 | 117.6° | 119.9° |
| C2 | C3 | C4 | H6 | 143.1° | 60.0° |
| C2 | C3 | C4 | H7 | 98.8° | 60.0° |
| CE | CD | CC | H20 | 120.9° | 120.0° |
| CE | CD | CC | H21 | 120.9° | 120.1° |
| CE | CD | CC | CB | 179.4° | 180.0° |
| CE | CD | CC | H19 | 59.8° | 60.0° |
| CE | CD | H20 | H21 | 117.3° | 120.0° |
| CD | CE | H22 | H23 | 117.6° | 119.9° |
| CD | CE | CF | H24 | 114.5° | 60.0° |
| CD | CE | CF | H25 | 127.0° | 60.0° |
| CE | CD | CC | H30 | 58.5° | 60.0° |
| CD | CC | CB | H19 | 120.8° | 120.0° |
| CD | CC | CB | H30 | 120.8° | 120.0° |
| CD | CC | CB | CA | 162.4° | 180.0° |
| CD | CC | CB | H18 | 76.8° | 60.0° |
| CD | CC | H19 | H30 | 117.4° | 120.0° |
| CC | CD | H20 | H21 | 117.3° | 120.0° |
| CC | CD | CE | H22 | 95.1° | 59.9° |
| CC | CD | CE | H23 | 23.4° | 60.0° |
| CD | CC | CB | H29 | 41.5° | 60.0° |
| C3 | C4 | C5 | H6 | 121.0° | 120.0° |
| C3 | C4 | C5 | H7 | 121.0° | 120.0° |
| C3 | C4 | C5 | C6 | 133.0° | 180.0° |
| C4 | C3 | C2 | H2 | 0.8° | 60.0° |
| C4 | C3 | C2 | H3 | 119.4° | 60.0° |
| C4 | C3 | H4 | H5 | 117.5° | 120.1° |
| C3 | C4 | H6 | H7 | 117.0° | 120.0° |
| C3 | C4 | C5 | H8 | 105.9° | 60.0° |
| C3 | C4 | C5 | H9 | 12.0° | 60.0° |
| CC | CB | CA | H18 | 120.8° | 120.0° |
| CC | CB | CA | H29 | 120.9° | 120.0° |
| CC | CB | CA | C9 | 105.8° | 180.0° |
| CC | CB | CA | H16 | 14.9° | 60.0° |
| CC | CB | CA | H17 | 133.4° | 60.0° |
| CC | CB | H18 | H29 | 117.4° | 120.0° |
| CB | CC | H19 | H30 | 117.4° | 120.0° |
| CB | CC | CD | H20 | 58.5° | 60.0° |
| CB | CC | CD | H21 | 59.8° | 59.9° |
| CB | CA | C9 | H16 | 120.8° | 120.0° |
| CB | CA | C9 | H17 | 120.8° | 120.0° |
| CB | CA | C9 | C8 | 76.6° | 180.0° |
| CB | CA | C9 | H14 | 44.3° | 60.0° |
| CB | CA | C9 | H15 | 162.5° | 60.0° |
| CB | CA | H16 | H17 | 117.5° | 120.0° |
| CA | CB | H18 | H29 | 117.3° | 120.0° |
| CA | CB | CC | H19 | 41.5° | 60.0° |
| CA | CB | CC | H30 | 76.8° | 60.0° |
| C4 | C5 | C6 | H8 | 121.0° | 120.1° |
| C4 | C5 | C6 | H9 | 121.0° | 119.9° |
| C4 | C5 | C6 | C7 | 143.7° | 127.6° |
| C5 | C4 | C3 | H4 | 98.6° | 60.0° |
| C5 | C4 | C3 | H5 | 143.0° | 60.0° |
| C5 | C4 | H6 | H7 | 116.9° | 120.0° |
| C4 | C5 | H8 | H9 | 116.8° | 120.0° |
| C4 | C5 | C6 | H10 | 36.3° | 52.3° |
| C5 | C6 | C7 | H10 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.2° | 7.6° |
| C6 | C5 | C4 | H6 | 12.1° | 60.0° |
| C6 | C5 | C4 | H7 | 106.0° | 60.1° |
| C6 | C5 | H8 | H9 | 116.8° | 119.9° |
| C5 | C6 | C7 | H11 | 179.8° | 172.4° |
| CA | C9 | C8 | C7 | 54.1° | 180.0° |
| CA | C9 | C8 | H14 | 120.9° | 120.0° |
| CA | C9 | C8 | H15 | 120.9° | 120.1° |
| CA | C9 | C8 | H12 | 175.0° | 60.0° |
| CA | C9 | C8 | H13 | 66.9° | 60.0° |
| CA | C9 | H14 | H15 | 117.1° | 120.1° |
| C9 | CA | H16 | H17 | 117.5° | 120.0° |
| C9 | CA | CB | H18 | 133.3° | 60.0° |
| C9 | CA | CB | H29 | 15.0° | 60.0° |
| C6 | C7 | C8 | H11 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 142.2° | 126.3° |
| C7 | C6 | C5 | H8 | 22.6° | 7.5° |
| C7 | C6 | C5 | H9 | 95.3° | 112.4° |
| C6 | C7 | C8 | H12 | 96.8° | 113.7° |
| C6 | C7 | C8 | H13 | 21.2° | 6.3° |
| C7 | C8 | C9 | H12 | 121.0° | 119.9° |
| C7 | C8 | C9 | H13 | 121.0° | 120.0° |
| C8 | C7 | C6 | H10 | 179.8° | 172.5° |
| C7 | C8 | H12 | H13 | 116.9° | 120.0° |
| C7 | C8 | C9 | H14 | 175.0° | 60.0° |
| C7 | C8 | C9 | H15 | 66.9° | 59.9° |
| C9 | C8 | C7 | H11 | 37.8° | 53.7° |
| C9 | C8 | H12 | H13 | 116.9° | 120.0° |
| C8 | C9 | H14 | H15 | 117.1° | 119.9° |
| C8 | C9 | CA | H16 | 162.6° | 60.0° |
| C8 | C9 | CA | H17 | 44.2° | 60.0° |
| H2 | C2 | C3 | H4 | 119.9° | 180.0° |
| H2 | C2 | C3 | H5 | 121.6° | 60.1° |
| H3 | C2 | C3 | H4 | 1.4° | 60.0° |
| H3 | C2 | C3 | H5 | 119.8° | 180.0° |
| H4 | C3 | C4 | H6 | 22.3° | 180.0° |
| H4 | C3 | C4 | H7 | 140.4° | 59.9° |
| H5 | C3 | C4 | H6 | 96.1° | 60.0° |
| H5 | C3 | C4 | H7 | 22.0° | 180.0° |
| H6 | C4 | C5 | H8 | 133.1° | 180.0° |
| H6 | C4 | C5 | H9 | 108.9° | 59.9° |
| H7 | C4 | C5 | H8 | 15.1° | 60.0° |
| H7 | C4 | C5 | H9 | 133.0° | 180.0° |
| H8 | C5 | C6 | H10 | 157.4° | 172.4° |
| H9 | C5 | C6 | H10 | 84.7° | 67.6° |
| H10 | C6 | C7 | H11 | 0.2° | 7.5° |
| H11 | C7 | C8 | H12 | 83.2° | 66.3° |
| H11 | C7 | C8 | H13 | 158.8° | 173.7° |
| H12 | C8 | C9 | H14 | 64.1° | 179.9° |
| H12 | C8 | C9 | H15 | 54.1° | 60.0° |
| H13 | C8 | C9 | H14 | 54.0° | 60.0° |
| H13 | C8 | C9 | H15 | 172.1° | 180.0° |
| H14 | C9 | CA | H16 | 76.5° | 180.0° |
| H14 | C9 | CA | H17 | 165.1° | 60.0° |
| H15 | C9 | CA | H16 | 41.7° | 60.0° |
| H15 | C9 | CA | H17 | 76.8° | 180.0° |
| H16 | CA | CB | H18 | 105.9° | NaN° |
| H16 | CA | CB | H29 | 135.8° | 60.0° |
| H17 | CA | CB | H18 | 12.6° | 60.0° |
| H17 | CA | CB | H29 | 105.7° | 180.0° |
| H18 | CB | CC | H19 | 162.4° | 180.0° |
| H18 | CB | CC | H30 | 44.1° | 60.0° |
| H19 | CC | CD | H20 | 179.3° | 179.9° |
| H19 | CC | CD | H21 | 61.1° | 60.0° |
| H19 | CC | CB | H29 | 79.3° | 60.0° |
| H20 | CD | CE | H22 | 144.1° | 180.0° |
| H20 | CD | CE | H23 | 97.5° | 60.0° |
| H20 | CD | CC | H30 | 62.4° | 60.0° |
| H21 | CD | CE | H22 | 25.8° | 60.1° |
| H21 | CD | CE | H23 | 144.2° | 179.9° |
| H21 | CD | CC | H30 | 179.4° | 179.9° |
| H22 | CE | CF | H24 | 6.2° | 180.0° |
| H22 | CE | CF | H25 | 112.3° | 60.0° |
| H23 | CE | CF | H24 | 124.7° | 60.0° |
| H23 | CE | CF | H25 | 6.2° | 180.0° |
| H24 | CF | CG | H26 | 59.3° | 180.0° |
| H24 | CF | CG | H27 | 60.8° | 60.0° |
| H24 | CF | CG | H28 | 179.3° | 60.1° |
| H25 | CF | CG | H26 | 59.2° | 60.0° |
| H25 | CF | CG | H27 | 179.3° | 180.0° |
| H25 | CF | CG | H28 | 60.8° | 59.9° |
| H26 | CG | H27 | H28 | 120.0° | 119.9° |
| H29 | CB | CC | H30 | 162.4° | NaN° |
