NON
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | O1 | doub | 1.22Å | 1.21Å | |
| C1 | O2 | sing | 1.36Å | 1.34Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H21 | sing | 1.10Å | 1.10Å | |
| C2 | H22 | sing | 1.10Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.48Å | |
| C3 | H31 | sing | 1.10Å | 1.10Å | |
| C3 | H32 | sing | 1.10Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.49Å | |
| C4 | H41 | sing | 1.10Å | 1.10Å | |
| C4 | H42 | sing | 1.10Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.49Å | |
| C5 | H51 | sing | 1.10Å | 1.10Å | |
| C5 | H52 | sing | 1.10Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C6 | H61 | sing | 1.10Å | 1.10Å | |
| C6 | H62 | sing | 1.10Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.49Å | |
| C7 | H71 | sing | 1.10Å | 1.10Å | |
| C7 | H72 | sing | 1.10Å | 1.10Å | |
| C8 | C9 | sing | 1.52Å | 1.50Å | |
| C8 | H81 | sing | 1.10Å | 1.10Å | |
| C8 | H82 | sing | 1.10Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| O2 | CM | sing | 1.43Å | 1.45Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| CM | HM3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 125.2° | 123.7° |
| C2 | C1 | O2 | 113.8° | 110.1° |
| C1 | C2 | C3 | 112.5° | 112.6° |
| C1 | C2 | H21 | 108.5° | 108.0° |
| C1 | C2 | H22 | 107.8° | 108.5° |
| O1 | C1 | O2 | 121.0° | 126.2° |
| C1 | O2 | CM | 116.4° | 115.5° |
| C3 | C2 | H21 | 108.5° | 110.5° |
| C3 | C2 | H22 | 107.8° | 110.7° |
| C2 | C3 | C4 | 109.6° | 112.5° |
| C2 | C3 | H31 | 109.4° | 108.4° |
| C2 | C3 | H32 | 109.4° | 110.2° |
| H21 | C2 | H22 | 111.9° | 106.4° |
| C4 | C3 | H31 | 109.4° | 109.2° |
| C4 | C3 | H32 | 109.4° | 109.5° |
| C3 | C4 | C5 | 108.6° | 111.1° |
| C3 | C4 | H41 | 109.7° | 109.5° |
| C3 | C4 | H42 | 109.9° | 109.4° |
| H31 | C3 | H32 | 109.6° | 106.9° |
| C5 | C4 | H41 | 109.7° | 109.6° |
| C5 | C4 | H42 | 109.9° | 109.7° |
| C4 | C5 | C6 | 109.5° | 113.4° |
| C4 | C5 | H51 | 109.5° | 109.0° |
| C4 | C5 | H52 | 109.5° | 109.7° |
| H41 | C4 | H42 | 108.8° | 107.4° |
| C6 | C5 | H51 | 109.5° | 108.1° |
| C6 | C5 | H52 | 109.4° | 109.6° |
| C5 | C6 | C7 | 108.7° | 113.5° |
| C5 | C6 | H61 | 109.7° | 109.6° |
| C5 | C6 | H62 | 109.9° | 108.1° |
| H51 | C5 | H52 | 109.5° | 106.7° |
| C7 | C6 | H61 | 109.7° | 109.7° |
| C7 | C6 | H62 | 109.9° | 109.0° |
| C6 | C7 | C8 | 109.8° | 111.2° |
| C6 | C7 | H71 | 109.4° | 110.1° |
| C6 | C7 | H72 | 109.3° | 109.6° |
| H61 | C6 | H62 | 108.9° | 106.8° |
| C8 | C7 | H71 | 109.4° | 109.0° |
| C8 | C7 | H72 | 109.3° | 109.6° |
| C7 | C8 | C9 | 111.0° | 111.5° |
| C7 | C8 | H81 | 109.0° | 109.9° |
| C7 | C8 | H82 | 108.7° | 109.9° |
| H71 | C7 | H72 | 109.7° | 107.3° |
| C9 | C8 | H81 | 109.0° | 109.1° |
| C9 | C8 | H82 | 108.6° | 109.2° |
| C8 | C9 | H91 | 109.5° | 111.0° |
| C8 | C9 | H92 | 109.5° | 111.0° |
| C8 | C9 | H93 | 109.5° | 110.2° |
| H81 | C8 | H82 | 110.6° | 107.2° |
| H91 | C9 | H92 | 109.4° | 108.4° |
| H91 | C9 | H93 | 109.5° | 108.1° |
| H92 | C9 | H93 | 109.5° | 108.1° |
| O2 | CM | HM1 | 109.5° | 109.5° |
| O2 | CM | HM2 | 109.5° | 109.5° |
| O2 | CM | HM3 | 109.5° | 109.0° |
| HM1 | CM | HM2 | 109.5° | 110.1° |
| HM1 | CM | HM3 | 109.5° | 109.3° |
| HM2 | CM | HM3 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 178.6° | 179.8° |
| C1 | C2 | C3 | H21 | 120.0° | 120.8° |
| C1 | C2 | C3 | H22 | 118.7° | 121.6° |
| C1 | C2 | H21 | H22 | 118.8° | 116.3° |
| C1 | C2 | C3 | C4 | 82.1° | 179.2° |
| C1 | C2 | C3 | H31 | 37.8° | 60.0° |
| C1 | C2 | C3 | H32 | 158.0° | 56.7° |
| C2 | C1 | O2 | CM | 172.9° | 179.8° |
| O1 | C1 | C2 | C3 | 16.4° | 2.2° |
| O1 | C1 | C2 | H21 | 103.6° | 120.0° |
| O1 | C1 | C2 | H22 | 135.1° | 125.0° |
| O1 | C1 | O2 | CM | 8.3° | 0.0° |
| O2 | C1 | C2 | C3 | 164.9° | 177.7° |
| O2 | C1 | C2 | H21 | 75.2° | 60.1° |
| O2 | C1 | C2 | H22 | 46.2° | 54.9° |
| C1 | O2 | CM | HM1 | 119.7° | 16.0° |
| C1 | O2 | CM | HM2 | 0.3° | 136.9° |
| C1 | O2 | CM | HM3 | 120.4° | 103.6° |
| C3 | C2 | H21 | H22 | 118.8° | 120.2° |
| C2 | C3 | C4 | H31 | 120.0° | 120.4° |
| C2 | C3 | C4 | H32 | 119.9° | 122.9° |
| C2 | C3 | H31 | H32 | 120.0° | 118.8° |
| C2 | C3 | C4 | C5 | 80.6° | 178.7° |
| C2 | C3 | C4 | H41 | 39.4° | 60.0° |
| C2 | C3 | C4 | H42 | 159.1° | 57.4° |
| H21 | C2 | C3 | C4 | 157.9° | 60.0° |
| H21 | C2 | C3 | H31 | 82.1° | 60.8° |
| H21 | C2 | C3 | H32 | 38.0° | 177.5° |
| H22 | C2 | C3 | C4 | 36.6° | 57.6° |
| H22 | C2 | C3 | H31 | 156.6° | 178.5° |
| H22 | C2 | C3 | H32 | 83.3° | 64.8° |
| C4 | C3 | H31 | H32 | 119.9° | 118.4° |
| C3 | C4 | C5 | H41 | 120.0° | 121.2° |
| C3 | C4 | C5 | H42 | 120.3° | 121.1° |
| C3 | C4 | H41 | H42 | 120.3° | 118.7° |
| C3 | C4 | C5 | C6 | 99.1° | 179.5° |
| C3 | C4 | C5 | H51 | 20.9° | 60.0° |
| C3 | C4 | C5 | H52 | 140.9° | 56.5° |
| H31 | C3 | C4 | C5 | 159.4° | 60.9° |
| H31 | C3 | C4 | H41 | 80.6° | 60.4° |
| H31 | C3 | C4 | H42 | 39.1° | 177.8° |
| H32 | C3 | C4 | C5 | 39.3° | 55.9° |
| H32 | C3 | C4 | H41 | 159.4° | 177.1° |
| H32 | C3 | C4 | H42 | 81.0° | 65.4° |
| C5 | C4 | H41 | H42 | 120.3° | 119.2° |
| C4 | C5 | C6 | H51 | 120.0° | 121.0° |
| C4 | C5 | C6 | H52 | 120.0° | 123.1° |
| C4 | C5 | H51 | H52 | 120.0° | 118.4° |
| C4 | C5 | C6 | C7 | 54.2° | 179.0° |
| C4 | C5 | C6 | H61 | 65.8° | 56.0° |
| C4 | C5 | C6 | H62 | 174.5° | 60.0° |
| H41 | C4 | C5 | C6 | 140.9° | 59.3° |
| H41 | C4 | C5 | H51 | 99.1° | 61.2° |
| H41 | C4 | C5 | H52 | 20.9° | 177.7° |
| H42 | C4 | C5 | C6 | 21.2° | 58.4° |
| H42 | C4 | C5 | H51 | 141.2° | 178.9° |
| H42 | C4 | C5 | H52 | 98.8° | 64.6° |
| C6 | C5 | H51 | H52 | 120.0° | 117.8° |
| C5 | C6 | C7 | H61 | 120.0° | 122.9° |
| C5 | C6 | C7 | H62 | 120.3° | 120.5° |
| C5 | C6 | H61 | H62 | 120.3° | 116.8° |
| C5 | C6 | C7 | C8 | 162.0° | 177.1° |
| C5 | C6 | C7 | H71 | 42.0° | 62.0° |
| C5 | C6 | C7 | H72 | 78.1° | 55.7° |
| H51 | C5 | C6 | C7 | 174.2° | 60.0° |
| H51 | C5 | C6 | H61 | 54.3° | 177.0° |
| H51 | C5 | C6 | H62 | 65.5° | 61.0° |
| H52 | C5 | C6 | C7 | 65.8° | 55.9° |
| H52 | C5 | C6 | H61 | 174.2° | 67.1° |
| H52 | C5 | C6 | H62 | 54.5° | 176.9° |
| C7 | C6 | H61 | H62 | 120.3° | 118.0° |
| C6 | C7 | C8 | H71 | 120.0° | 121.5° |
| C6 | C7 | C8 | H72 | 119.9° | 121.3° |
| C6 | C7 | H71 | H72 | 119.9° | 119.1° |
| C6 | C7 | C8 | C9 | 168.6° | 178.4° |
| C6 | C7 | C8 | H81 | 48.6° | 57.3° |
| C6 | C7 | C8 | H82 | 72.0° | 60.4° |
| H61 | C6 | C7 | C8 | 78.0° | 60.0° |
| H61 | C6 | C7 | H71 | 162.0° | 60.9° |
| H61 | C6 | C7 | H72 | 41.9° | 178.7° |
| H62 | C6 | C7 | C8 | 41.8° | 56.6° |
| H62 | C6 | C7 | H71 | 78.2° | 177.5° |
| H62 | C6 | C7 | H72 | 161.6° | 64.8° |
| C8 | C7 | H71 | H72 | 119.9° | 118.6° |
| C7 | C8 | C9 | H81 | 120.0° | 121.6° |
| C7 | C8 | C9 | H82 | 119.4° | 121.6° |
| C7 | C8 | H81 | H82 | 119.4° | 119.4° |
| C7 | C8 | C9 | H91 | 70.4° | 60.4° |
| C7 | C8 | C9 | H92 | 49.6° | 60.2° |
| C7 | C8 | C9 | H93 | 169.6° | 179.9° |
| H71 | C7 | C8 | C9 | 71.4° | 60.0° |
| H71 | C7 | C8 | H81 | 168.6° | 178.9° |
| H71 | C7 | C8 | H82 | 48.0° | 61.1° |
| H72 | C7 | C8 | C9 | 48.7° | 57.1° |
| H72 | C7 | C8 | H81 | 71.3° | 64.0° |
| H72 | C7 | C8 | H82 | 168.1° | 178.3° |
| C9 | C8 | H81 | H82 | 119.4° | 118.1° |
| C8 | C9 | H91 | H92 | 120.0° | 122.1° |
| C8 | C9 | H91 | H93 | 120.0° | 121.0° |
| C8 | C9 | H92 | H93 | 120.0° | 121.0° |
| H81 | C8 | C9 | H91 | 169.6° | 178.0° |
| H81 | C8 | C9 | H92 | 70.4° | 61.4° |
| H81 | C8 | C9 | H93 | 49.6° | 58.3° |
| H82 | C8 | C9 | H91 | 49.0° | 61.1° |
| H82 | C8 | C9 | H92 | 169.0° | 178.3° |
| H82 | C8 | C9 | H93 | 71.0° | 58.6° |
| H91 | C9 | H92 | H93 | 120.0° | 116.9° |
| O2 | CM | HM1 | HM2 | 120.0° | 120.6° |
| O2 | CM | HM1 | HM3 | 120.0° | 119.3° |
| O2 | CM | HM2 | HM3 | 120.0° | 119.3° |
| HM1 | CM | HM2 | HM3 | 120.0° | 120.1° |
