AZ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C2 | sing | 1.51Å | 1.54Å | |
| C | OXT | sing | 1.34Å | 1.35Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.51Å | 1.54Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | O2 | doub | 1.21Å | 1.39Å | |
| C9 | OXT2 | sing | 1.34Å | 1.25Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| OXT2 | HXT2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C | OXT | 121.8° | 120.1° |
| C2 | C | O | 119.5° | 120.0° |
| C | C2 | C3 | 149.4° | 109.5° |
| C | C2 | H21 | 98.9° | 109.4° |
| C | C2 | H22 | 98.9° | 109.4° |
| OXT | C | O | 118.7° | 119.9° |
| C | OXT | HXT | 121.8° | 120.1° |
| C3 | C2 | H21 | 99.0° | 109.5° |
| C3 | C2 | H22 | 99.0° | 109.5° |
| C2 | C3 | C4 | 131.8° | 109.5° |
| C2 | C3 | H31 | 104.5° | 109.5° |
| C2 | C3 | H32 | 104.4° | 109.5° |
| H21 | C2 | H22 | 107.5° | 109.5° |
| C4 | C3 | H31 | 104.5° | 109.5° |
| C4 | C3 | H32 | 104.5° | 109.5° |
| C3 | C4 | C5 | 124.3° | 109.5° |
| C3 | C4 | H41 | 107.0° | 109.5° |
| C3 | C4 | H42 | 106.9° | 109.5° |
| H31 | C3 | H32 | 104.5° | 109.5° |
| C5 | C4 | H41 | 107.0° | 109.5° |
| C5 | C4 | H42 | 107.0° | 109.5° |
| C4 | C5 | C6 | 116.9° | 109.5° |
| C4 | C5 | H51 | 109.5° | 109.5° |
| C4 | C5 | H52 | 109.5° | 109.5° |
| H41 | C4 | H42 | 102.7° | 109.5° |
| C6 | C5 | H51 | 109.6° | 109.4° |
| C6 | C5 | H52 | 109.6° | 109.4° |
| C5 | C6 | C7 | 131.0° | 109.5° |
| C5 | C6 | H61 | 104.7° | 109.5° |
| C5 | C6 | H62 | 104.7° | 109.5° |
| H51 | C5 | H52 | 100.6° | 109.5° |
| C7 | C6 | H61 | 104.8° | 109.5° |
| C7 | C6 | H62 | 104.8° | 109.5° |
| C6 | C7 | C8 | 124.5° | 109.5° |
| C6 | C7 | H71 | 106.9° | 109.4° |
| C6 | C7 | H72 | 106.9° | 109.4° |
| H61 | C6 | H62 | 104.3° | 109.4° |
| C8 | C7 | H71 | 106.9° | 109.4° |
| C8 | C7 | H72 | 106.9° | 109.4° |
| C7 | C8 | C9 | 118.0° | 109.6° |
| C7 | C8 | H81 | 109.1° | 109.5° |
| C7 | C8 | H82 | 109.1° | 109.5° |
| H71 | C7 | H72 | 102.8° | 109.5° |
| C9 | C8 | H81 | 109.2° | 109.5° |
| C9 | C8 | H82 | 109.1° | 109.5° |
| C8 | C9 | O2 | 119.5° | 119.9° |
| C8 | C9 | OXT2 | 117.1° | 120.1° |
| H81 | C8 | H82 | 100.9° | 109.4° |
| O2 | C9 | OXT2 | 123.4° | 120.0° |
| C9 | OXT2 | HXT2 | 117.1° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C | OXT | O | 179.9° | 180.0° |
| C | C2 | C3 | H21 | 125.3° | 120.0° |
| C | C2 | C3 | H22 | 125.2° | 120.0° |
| C | C2 | H21 | H22 | 102.4° | 120.0° |
| C | C2 | C3 | C4 | 179.7° | 180.0° |
| C | C2 | C3 | H31 | 55.1° | 60.0° |
| C | C2 | C3 | H32 | 54.4° | 60.0° |
| C2 | C | OXT | HXT | 180.0° | 180.0° |
| OXT | C | C2 | C3 | 179.9° | 180.0° |
| OXT | C | C2 | H21 | 54.8° | 60.0° |
| OXT | C | C2 | H22 | 54.7° | 60.0° |
| O | C | C2 | C3 | 0.2° | 0.0° |
| O | C | C2 | H21 | 125.1° | 120.0° |
| O | C | C2 | H22 | 125.4° | 120.0° |
| O | C | OXT | HXT | 0.1° | 0.0° |
| C3 | C2 | H21 | H22 | 102.5° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 109.4° | 120.0° |
| C2 | C3 | C4 | C5 | 145.2° | 180.0° |
| C2 | C3 | C4 | H41 | 89.5° | 60.0° |
| C2 | C3 | C4 | H42 | 20.0° | 60.0° |
| H21 | C2 | C3 | C4 | 54.4° | 60.0° |
| H21 | C2 | C3 | H31 | 179.7° | 180.0° |
| H21 | C2 | C3 | H32 | 70.9° | 60.0° |
| H22 | C2 | C3 | C4 | 55.1° | 60.0° |
| H22 | C2 | C3 | H31 | 70.2° | 60.0° |
| H22 | C2 | C3 | H32 | 179.6° | 180.0° |
| C4 | C3 | H31 | H32 | 109.5° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.2° | 120.0° |
| C3 | C4 | H41 | H42 | 112.4° | 120.0° |
| C3 | C4 | C5 | C6 | 163.0° | 180.0° |
| C3 | C4 | C5 | H51 | 71.7° | 60.0° |
| C3 | C4 | C5 | H52 | 37.7° | 60.0° |
| H31 | C3 | C4 | C5 | 20.0° | 60.0° |
| H31 | C3 | C4 | H41 | 145.2° | 180.0° |
| H31 | C3 | C4 | H42 | 105.3° | 60.0° |
| H32 | C3 | C4 | C5 | 89.5° | 60.0° |
| H32 | C3 | C4 | H41 | 35.8° | 60.0° |
| H32 | C3 | C4 | H42 | 145.2° | 180.0° |
| C5 | C4 | H41 | H42 | 112.5° | 120.0° |
| C4 | C5 | C6 | H51 | 125.2° | 120.0° |
| C4 | C5 | C6 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 115.3° | 120.0° |
| C4 | C5 | C6 | C7 | 148.3° | 180.0° |
| C4 | C5 | C6 | H61 | 23.0° | 60.0° |
| C4 | C5 | C6 | H62 | 86.5° | 60.0° |
| H41 | C4 | C5 | C6 | 37.7° | 60.0° |
| H41 | C4 | C5 | H51 | 163.0° | 180.0° |
| H41 | C4 | C5 | H52 | 87.6° | 60.0° |
| H42 | C4 | C5 | C6 | 71.8° | 60.0° |
| H42 | C4 | C5 | H51 | 53.5° | 60.0° |
| H42 | C4 | C5 | H52 | 162.9° | 180.0° |
| C6 | C5 | H51 | H52 | 115.3° | 120.0° |
| C5 | C6 | C7 | H61 | 125.2° | 120.0° |
| C5 | C6 | C7 | H62 | 125.2° | 120.0° |
| C5 | C6 | H61 | H62 | 109.7° | 120.0° |
| C5 | C6 | C7 | C8 | 19.5° | 180.0° |
| C5 | C6 | C7 | H71 | 105.7° | 60.0° |
| C5 | C6 | C7 | H72 | 144.7° | 60.0° |
| H51 | C5 | C6 | C7 | 86.5° | 60.0° |
| H51 | C5 | C6 | H61 | 148.2° | 180.0° |
| H51 | C5 | C6 | H62 | 38.8° | 60.0° |
| H52 | C5 | C6 | C7 | 23.0° | 60.0° |
| H52 | C5 | C6 | H61 | 102.3° | 60.0° |
| H52 | C5 | C6 | H62 | 148.2° | 180.0° |
| C7 | C6 | H61 | H62 | 109.9° | 120.0° |
| C6 | C7 | C8 | H71 | 125.2° | 120.0° |
| C6 | C7 | C8 | H72 | 125.2° | 120.0° |
| C6 | C7 | H71 | H72 | 112.4° | 120.0° |
| C6 | C7 | C8 | C9 | 89.4° | 180.0° |
| C6 | C7 | C8 | H81 | 145.3° | 60.0° |
| C6 | C7 | C8 | H82 | 35.9° | 60.0° |
| H61 | C6 | C7 | C8 | 144.7° | 60.0° |
| H61 | C6 | C7 | H71 | 19.5° | 180.0° |
| H61 | C6 | C7 | H72 | 90.0° | 60.0° |
| H62 | C6 | C7 | C8 | 105.7° | 60.0° |
| H62 | C6 | C7 | H71 | 129.0° | 60.0° |
| H62 | C6 | C7 | H72 | 19.5° | 180.0° |
| C8 | C7 | H71 | H72 | 112.4° | 120.0° |
| C7 | C8 | C9 | H81 | 125.3° | 120.0° |
| C7 | C8 | C9 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H82 | 114.9° | 120.0° |
| C7 | C8 | C9 | O2 | 116.6° | 0.0° |
| C7 | C8 | C9 | OXT2 | 64.1° | 180.0° |
| H71 | C7 | C8 | C9 | 35.9° | 60.0° |
| H71 | C7 | C8 | H81 | 89.4° | 180.0° |
| H71 | C7 | C8 | H82 | 161.1° | 60.0° |
| H72 | C7 | C8 | C9 | 145.4° | 60.0° |
| H72 | C7 | C8 | H81 | 20.1° | 60.0° |
| H72 | C7 | C8 | H82 | 89.3° | 180.0° |
| C9 | C8 | H81 | H82 | 114.8° | 119.9° |
| C8 | C9 | O2 | OXT2 | 179.3° | 180.0° |
| C8 | C9 | OXT2 | HXT2 | 180.0° | 180.0° |
| H81 | C8 | C9 | O2 | 118.2° | 120.0° |
| H81 | C8 | C9 | OXT2 | 61.2° | 60.0° |
| H82 | C8 | C9 | O2 | 8.7° | 120.0° |
| H82 | C8 | C9 | OXT2 | 170.7° | 60.0° |
| O2 | C9 | OXT2 | HXT2 | 0.7° | 0.0° |
