LIM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1J | C2J | sing | 1.51Å | 1.51Å | |
| C1J | O1J | doub | 1.21Å | 1.23Å | |
| C1J | O3J | sing | 1.34Å | 1.33Å | |
| C2J | C3J | sing | 1.51Å | 1.53Å | |
| C2J | H2J1 | sing | 1.09Å | 1.12Å | |
| C2J | H2J2 | sing | 1.09Å | 1.11Å | |
| C3J | C4J | sing | 1.51Å | 1.53Å | |
| C3J | O2J | doub | 1.21Å | 1.43Å | |
| C4J | C5J | sing | 1.53Å | 1.53Å | |
| C4J | H4J1 | sing | 1.09Å | 1.12Å | |
| C4J | H4J2 | sing | 1.09Å | 1.11Å | |
| C5J | C6J | sing | 1.53Å | 1.52Å | |
| C5J | H5J1 | sing | 1.09Å | 1.11Å | |
| C5J | H5J2 | sing | 1.09Å | 1.11Å | |
| C6J | C7J | sing | 1.53Å | 1.53Å | |
| C6J | H6J1 | sing | 1.09Å | 1.11Å | |
| C6J | H6J2 | sing | 1.09Å | 1.12Å | |
| C7J | C8J | sing | 1.53Å | 1.52Å | |
| C7J | H7J1 | sing | 1.09Å | 1.11Å | |
| C7J | H7J2 | sing | 1.09Å | 1.11Å | |
| C8J | C9J | sing | 1.53Å | 1.52Å | |
| C8J | H8J1 | sing | 1.09Å | 1.12Å | |
| C8J | H8J2 | sing | 1.09Å | 1.12Å | |
| C9J | C0X | sing | 1.53Å | 1.53Å | |
| C9J | H9J1 | sing | 1.09Å | 1.11Å | |
| C9J | H9J2 | sing | 1.09Å | 1.11Å | |
| C0X | C1X | sing | 1.53Å | 1.52Å | |
| C0X | H0X1 | sing | 1.09Å | 1.11Å | |
| C0X | H0X2 | sing | 1.09Å | 1.12Å | |
| C1X | C2X | sing | 1.53Å | 1.51Å | |
| C1X | H1X1 | sing | 1.09Å | 1.12Å | |
| C1X | H1X2 | sing | 1.09Å | 1.11Å | |
| C2X | C3X | sing | 1.53Å | 1.52Å | |
| C2X | H2X1 | sing | 1.09Å | 1.11Å | |
| C2X | H2X2 | sing | 1.09Å | 1.11Å | |
| C3X | C4X | sing | 1.53Å | 1.53Å | |
| C3X | H3X1 | sing | 1.09Å | 1.11Å | |
| C3X | H3X2 | sing | 1.09Å | 1.11Å | |
| C4X | C5X | sing | 1.53Å | 1.52Å | |
| C4X | H4X1 | sing | 1.09Å | 1.12Å | |
| C4X | H4X2 | sing | 1.09Å | 1.11Å | |
| C5X | H5X1 | sing | 1.09Å | 1.12Å | |
| C5X | H5X2 | sing | 1.09Å | 1.11Å | |
| C5X | H5X3 | sing | 1.09Å | 1.12Å | |
| O3J | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2J | C1J | O1J | 119.9° | 120.0° |
| C2J | C1J | O3J | 117.1° | 120.1° |
| C1J | C2J | C3J | 112.5° | 109.5° |
| C1J | C2J | H2J1 | 111.0° | 109.5° |
| C1J | C2J | H2J2 | 111.1° | 109.5° |
| O1J | C1J | O3J | 123.0° | 119.9° |
| C1J | O3J | HO3 | 117.1° | 120.1° |
| C3J | C2J | H2J1 | 111.1° | 109.4° |
| C3J | C2J | H2J2 | 111.1° | 109.4° |
| C2J | C3J | C4J | 110.7° | 120.0° |
| C2J | C3J | O2J | 109.7° | 120.0° |
| H2J1 | C2J | H2J2 | 99.2° | 109.5° |
| C4J | C3J | O2J | 109.9° | 120.0° |
| C3J | C4J | C5J | 115.2° | 109.5° |
| C3J | C4J | H4J1 | 110.1° | 109.5° |
| C3J | C4J | H4J2 | 110.1° | 109.5° |
| C5J | C4J | H4J1 | 110.1° | 109.5° |
| C5J | C4J | H4J2 | 110.2° | 109.5° |
| C4J | C5J | C6J | 110.9° | 109.5° |
| C4J | C5J | H5J1 | 111.7° | 109.5° |
| C4J | C5J | H5J2 | 111.7° | 109.5° |
| H4J1 | C4J | H4J2 | 100.1° | 109.4° |
| C6J | C5J | H5J1 | 111.7° | 109.5° |
| C6J | C5J | H5J2 | 111.7° | 109.5° |
| C5J | C6J | C7J | 113.0° | 109.5° |
| C5J | C6J | H6J1 | 110.9° | 109.5° |
| C5J | C6J | H6J2 | 110.9° | 109.5° |
| H5J1 | C5J | H5J2 | 98.7° | 109.4° |
| C7J | C6J | H6J1 | 110.9° | 109.5° |
| C7J | C6J | H6J2 | 110.9° | 109.5° |
| C6J | C7J | C8J | 108.6° | 109.5° |
| C6J | C7J | H7J1 | 112.5° | 109.5° |
| C6J | C7J | H7J2 | 112.5° | 109.5° |
| H6J1 | C6J | H6J2 | 99.4° | 109.5° |
| C8J | C7J | H7J1 | 112.5° | 109.5° |
| C8J | C7J | H7J2 | 112.5° | 109.5° |
| C7J | C8J | C9J | 114.0° | 109.5° |
| C7J | C8J | H8J1 | 110.6° | 109.4° |
| C7J | C8J | H8J2 | 110.6° | 109.4° |
| H7J1 | C7J | H7J2 | 98.0° | 109.5° |
| C9J | C8J | H8J1 | 110.5° | 109.5° |
| C9J | C8J | H8J2 | 110.5° | 109.5° |
| C8J | C9J | C0X | 109.1° | 109.5° |
| C8J | C9J | H9J1 | 112.3° | 109.5° |
| C8J | C9J | H9J2 | 112.3° | 109.5° |
| H8J1 | C8J | H8J2 | 99.7° | 109.5° |
| C0X | C9J | H9J1 | 112.3° | 109.5° |
| C0X | C9J | H9J2 | 112.4° | 109.5° |
| C9J | C0X | C1X | 113.0° | 109.5° |
| C9J | C0X | H0X1 | 111.0° | 109.5° |
| C9J | C0X | H0X2 | 111.0° | 109.5° |
| H9J1 | C9J | H9J2 | 98.1° | 109.5° |
| C1X | C0X | H0X1 | 110.9° | 109.5° |
| C1X | C0X | H0X2 | 110.9° | 109.5° |
| C0X | C1X | C2X | 112.0° | 109.5° |
| C0X | C1X | H1X1 | 111.2° | 109.5° |
| C0X | C1X | H1X2 | 111.3° | 109.5° |
| H0X1 | C0X | H0X2 | 99.3° | 109.4° |
| C2X | C1X | H1X1 | 111.3° | 109.5° |
| C2X | C1X | H1X2 | 111.3° | 109.5° |
| C1X | C2X | C3X | 110.8° | 109.5° |
| C1X | C2X | H2X1 | 111.7° | 109.5° |
| C1X | C2X | H2X2 | 111.7° | 109.5° |
| H1X1 | C1X | H1X2 | 99.0° | 109.4° |
| C3X | C2X | H2X1 | 111.7° | 109.5° |
| C3X | C2X | H2X2 | 111.7° | 109.4° |
| C2X | C3X | C4X | 112.5° | 109.5° |
| C2X | C3X | H3X1 | 111.1° | 109.5° |
| C2X | C3X | H3X2 | 111.1° | 109.5° |
| H2X1 | C2X | H2X2 | 98.7° | 109.5° |
| C4X | C3X | H3X1 | 111.1° | 109.5° |
| C4X | C3X | H3X2 | 111.1° | 109.5° |
| C3X | C4X | C5X | 112.0° | 109.5° |
| C3X | C4X | H4X1 | 111.3° | 109.5° |
| C3X | C4X | H4X2 | 111.3° | 109.5° |
| H3X1 | C3X | H3X2 | 99.3° | 109.4° |
| C5X | C4X | H4X1 | 111.3° | 109.5° |
| C5X | C4X | H4X2 | 111.3° | 109.5° |
| C4X | C5X | H5X1 | 112.0° | 109.5° |
| C4X | C5X | H5X2 | 111.3° | 109.5° |
| C4X | C5X | H5X3 | 111.3° | 109.5° |
| H4X1 | C4X | H4X2 | 99.0° | 109.5° |
| H5X1 | C5X | H5X2 | 111.3° | 109.4° |
| H5X1 | C5X | H5X3 | 111.2° | 109.4° |
| H5X2 | C5X | H5X3 | 99.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2J | C1J | O1J | O3J | 179.9° | 180.0° |
| C1J | C2J | C3J | H2J1 | 125.2° | 120.0° |
| C1J | C2J | C3J | H2J2 | 125.3° | 120.0° |
| C1J | C2J | H2J1 | H2J2 | 117.0° | 120.0° |
| C1J | C2J | C3J | C4J | 173.8° | 180.0° |
| C1J | C2J | C3J | O2J | 64.8° | 0.0° |
| C2J | C1J | O3J | HO3 | 179.9° | 180.0° |
| O1J | C1J | C2J | C3J | 43.8° | 0.0° |
| O1J | C1J | C2J | H2J1 | 81.5° | 120.0° |
| O1J | C1J | C2J | H2J2 | 169.1° | 120.0° |
| O1J | C1J | O3J | HO3 | 0.0° | 0.0° |
| O3J | C1J | C2J | C3J | 136.3° | 180.0° |
| O3J | C1J | C2J | H2J1 | 98.4° | 60.0° |
| O3J | C1J | C2J | H2J2 | 11.0° | 60.0° |
| C3J | C2J | H2J1 | H2J2 | 117.0° | 119.9° |
| C2J | C3J | C4J | O2J | 121.3° | 180.0° |
| C2J | C3J | C4J | C5J | 166.9° | 180.0° |
| C2J | C3J | C4J | H4J1 | 41.7° | 60.0° |
| C2J | C3J | C4J | H4J2 | 67.8° | 60.0° |
| H2J1 | C2J | C3J | C4J | 48.6° | 60.0° |
| H2J1 | C2J | C3J | O2J | 170.0° | 120.0° |
| H2J2 | C2J | C3J | C4J | 60.9° | 60.0° |
| H2J2 | C2J | C3J | O2J | 60.5° | 120.0° |
| C3J | C4J | C5J | H4J1 | 125.3° | 120.0° |
| C3J | C4J | C5J | H4J2 | 125.3° | 120.0° |
| C3J | C4J | H4J1 | H4J2 | 115.9° | 120.0° |
| C3J | C4J | C5J | C6J | 61.5° | 180.0° |
| C3J | C4J | C5J | H5J1 | 173.3° | 60.0° |
| C3J | C4J | C5J | H5J2 | 63.8° | 60.0° |
| O2J | C3J | C4J | C5J | 71.8° | 0.0° |
| O2J | C3J | C4J | H4J1 | 163.0° | 120.0° |
| O2J | C3J | C4J | H4J2 | 53.6° | 120.0° |
| C5J | C4J | H4J1 | H4J2 | 116.0° | 119.9° |
| C4J | C5J | C6J | H5J1 | 125.2° | 120.0° |
| C4J | C5J | C6J | H5J2 | 125.3° | 120.0° |
| C4J | C5J | H5J1 | H5J2 | 117.6° | 119.9° |
| C4J | C5J | C6J | C7J | 164.8° | 180.0° |
| C4J | C5J | C6J | H6J1 | 69.9° | 60.0° |
| C4J | C5J | C6J | H6J2 | 39.5° | 60.0° |
| H4J1 | C4J | C5J | C6J | 63.8° | 60.0° |
| H4J1 | C4J | C5J | H5J1 | 61.5° | 180.0° |
| H4J1 | C4J | C5J | H5J2 | 171.0° | 60.1° |
| H4J2 | C4J | C5J | C6J | 173.2° | 60.0° |
| H4J2 | C4J | C5J | H5J1 | 48.0° | 60.1° |
| H4J2 | C4J | C5J | H5J2 | 61.5° | 180.0° |
| C6J | C5J | H5J1 | H5J2 | 117.6° | 120.0° |
| C5J | C6J | C7J | H6J1 | 125.3° | 120.0° |
| C5J | C6J | C7J | H6J2 | 125.3° | 120.0° |
| C5J | C6J | H6J1 | H6J2 | 116.7° | 120.0° |
| C5J | C6J | C7J | C8J | 172.7° | 180.0° |
| C5J | C6J | C7J | H7J1 | 47.4° | 60.0° |
| C5J | C6J | C7J | H7J2 | 62.1° | 60.0° |
| H5J1 | C5J | C6J | C7J | 39.5° | 60.0° |
| H5J1 | C5J | C6J | H6J1 | 164.9° | 180.0° |
| H5J1 | C5J | C6J | H6J2 | 85.7° | 60.0° |
| H5J2 | C5J | C6J | C7J | 70.0° | 60.0° |
| H5J2 | C5J | C6J | H6J1 | 55.4° | 60.0° |
| H5J2 | C5J | C6J | H6J2 | 164.8° | 180.0° |
| C7J | C6J | H6J1 | H6J2 | 116.8° | 120.0° |
| C6J | C7J | C8J | H7J1 | 125.2° | 120.0° |
| C6J | C7J | C8J | H7J2 | 125.2° | 120.0° |
| C6J | C7J | H7J1 | H7J2 | 118.5° | 120.0° |
| C6J | C7J | C8J | C9J | 161.9° | 180.0° |
| C6J | C7J | C8J | H8J1 | 72.9° | 60.0° |
| C6J | C7J | C8J | H8J2 | 36.6° | 60.0° |
| H6J1 | C6J | C7J | C8J | 62.0° | 60.0° |
| H6J1 | C6J | C7J | H7J1 | 172.7° | NaN° |
| H6J1 | C6J | C7J | H7J2 | 63.2° | 60.0° |
| H6J2 | C6J | C7J | C8J | 47.4° | 60.0° |
| H6J2 | C6J | C7J | H7J1 | 77.8° | 60.0° |
| H6J2 | C6J | C7J | H7J2 | 172.6° | NaN° |
| C8J | C7J | H7J1 | H7J2 | 118.5° | 120.0° |
| C7J | C8J | C9J | H8J1 | 125.3° | 120.0° |
| C7J | C8J | C9J | H8J2 | 125.3° | 120.0° |
| C7J | C8J | H8J1 | H8J2 | 116.4° | 119.9° |
| C7J | C8J | C9J | C0X | 174.3° | 180.0° |
| C7J | C8J | C9J | H9J1 | 49.1° | 60.0° |
| C7J | C8J | C9J | H9J2 | 60.4° | 60.0° |
| H7J1 | C7J | C8J | C9J | 36.6° | 60.0° |
| H7J1 | C7J | C8J | H8J1 | 161.9° | 180.0° |
| H7J1 | C7J | C8J | H8J2 | 88.6° | 60.0° |
| H7J2 | C7J | C8J | C9J | 72.9° | 60.0° |
| H7J2 | C7J | C8J | H8J1 | 52.4° | 60.0° |
| H7J2 | C7J | C8J | H8J2 | 161.8° | 180.0° |
| C9J | C8J | H8J1 | H8J2 | 116.4° | 120.1° |
| C8J | C9J | C0X | H9J1 | 125.2° | 120.0° |
| C8J | C9J | C0X | H9J2 | 125.3° | 120.0° |
| C8J | C9J | H9J1 | H9J2 | 118.3° | 120.0° |
| C8J | C9J | C0X | C1X | 170.7° | 180.0° |
| C8J | C9J | C0X | H0X1 | 64.0° | 60.0° |
| C8J | C9J | C0X | H0X2 | 45.4° | 60.0° |
| H8J1 | C8J | C9J | C0X | 60.4° | 60.0° |
| H8J1 | C8J | C9J | H9J1 | 174.4° | 180.0° |
| H8J1 | C8J | C9J | H9J2 | 64.9° | 59.9° |
| H8J2 | C8J | C9J | C0X | 49.0° | 60.0° |
| H8J2 | C8J | C9J | H9J1 | 76.2° | 59.9° |
| H8J2 | C8J | C9J | H9J2 | 174.3° | 180.0° |
| C0X | C9J | H9J1 | H9J2 | 118.3° | 120.0° |
| C9J | C0X | C1X | H0X1 | 125.3° | 120.0° |
| C9J | C0X | C1X | H0X2 | 125.3° | 120.0° |
| C9J | C0X | H0X1 | H0X2 | 116.8° | 120.0° |
| C9J | C0X | C1X | C2X | 76.8° | 180.0° |
| C9J | C0X | C1X | H1X1 | 157.9° | 60.0° |
| C9J | C0X | C1X | H1X2 | 48.5° | 60.0° |
| H9J1 | C9J | C0X | C1X | 45.5° | 60.0° |
| H9J1 | C9J | C0X | H0X1 | 170.8° | 180.0° |
| H9J1 | C9J | C0X | H0X2 | 79.8° | 60.0° |
| H9J2 | C9J | C0X | C1X | 64.0° | 60.0° |
| H9J2 | C9J | C0X | H0X1 | 61.3° | 60.0° |
| H9J2 | C9J | C0X | H0X2 | 170.7° | 180.0° |
| C1X | C0X | H0X1 | H0X2 | 116.8° | 120.0° |
| C0X | C1X | C2X | H1X1 | 125.3° | 120.0° |
| C0X | C1X | C2X | H1X2 | 125.3° | 120.0° |
| C0X | C1X | H1X1 | H1X2 | 117.1° | 120.0° |
| C0X | C1X | C2X | C3X | 176.1° | 180.0° |
| C0X | C1X | C2X | H2X1 | 50.8° | 60.0° |
| C0X | C1X | C2X | H2X2 | 58.6° | 60.0° |
| H0X1 | C0X | C1X | C2X | 48.5° | 60.0° |
| H0X1 | C0X | C1X | H1X1 | 76.8° | NaN° |
| H0X1 | C0X | C1X | H1X2 | 173.8° | 60.1° |
| H0X2 | C0X | C1X | C2X | 157.9° | 60.0° |
| H0X2 | C0X | C1X | H1X1 | 32.5° | 60.1° |
| H0X2 | C0X | C1X | H1X2 | 76.8° | NaN° |
| C2X | C1X | H1X1 | H1X2 | 117.2° | 120.0° |
| C1X | C2X | C3X | H2X1 | 125.3° | 120.0° |
| C1X | C2X | C3X | H2X2 | 125.2° | 120.0° |
| C1X | C2X | H2X1 | H2X2 | 117.6° | 120.0° |
| C1X | C2X | C3X | C4X | 52.8° | 180.0° |
| C1X | C2X | C3X | H3X1 | 72.4° | 60.0° |
| C1X | C2X | C3X | H3X2 | 178.1° | 60.0° |
| H1X1 | C1X | C2X | C3X | 58.6° | 60.0° |
| H1X1 | C1X | C2X | H2X1 | 176.1° | NaN° |
| H1X1 | C1X | C2X | H2X2 | 66.6° | 60.0° |
| H1X2 | C1X | C2X | C3X | 50.8° | 60.0° |
| H1X2 | C1X | C2X | H2X1 | 74.5° | 60.1° |
| H1X2 | C1X | C2X | H2X2 | 176.0° | 180.0° |
| C3X | C2X | H2X1 | H2X2 | 117.7° | 120.0° |
| C2X | C3X | C4X | H3X1 | 125.2° | 120.0° |
| C2X | C3X | C4X | H3X2 | 125.3° | 120.0° |
| C2X | C3X | H3X1 | H3X2 | 117.0° | 120.0° |
| C2X | C3X | C4X | C5X | 65.3° | 180.0° |
| C2X | C3X | C4X | H4X1 | 59.9° | 60.0° |
| C2X | C3X | C4X | H4X2 | 169.4° | 60.0° |
| H2X1 | C2X | C3X | C4X | 178.1° | 60.0° |
| H2X1 | C2X | C3X | H3X1 | 52.8° | 180.0° |
| H2X1 | C2X | C3X | H3X2 | 56.7° | 60.1° |
| H2X2 | C2X | C3X | C4X | 72.4° | 60.0° |
| H2X2 | C2X | C3X | H3X1 | 162.4° | 60.0° |
| H2X2 | C2X | C3X | H3X2 | 52.8° | 180.0° |
| C4X | C3X | H3X1 | H3X2 | 117.0° | 120.0° |
| C3X | C4X | C5X | H4X1 | 125.3° | 120.0° |
| C3X | C4X | C5X | H4X2 | 125.3° | 120.0° |
| C3X | C4X | H4X1 | H4X2 | 117.2° | 120.0° |
| C3X | C4X | C5X | H5X1 | 180.0° | 180.0° |
| C3X | C4X | C5X | H5X2 | 54.7° | 60.0° |
| C3X | C4X | C5X | H5X3 | 54.8° | 60.0° |
| H3X1 | C3X | C4X | C5X | 169.4° | 60.0° |
| H3X1 | C3X | C4X | H4X1 | 65.3° | 180.0° |
| H3X1 | C3X | C4X | H4X2 | 44.2° | 60.0° |
| H3X2 | C3X | C4X | C5X | 59.9° | 60.0° |
| H3X2 | C3X | C4X | H4X1 | 174.8° | 60.0° |
| H3X2 | C3X | C4X | H4X2 | 65.3° | 180.0° |
| C5X | C4X | H4X1 | H4X2 | 117.1° | 120.0° |
| C4X | C5X | H5X1 | H5X2 | 125.3° | 120.0° |
| C4X | C5X | H5X1 | H5X3 | 125.2° | 120.0° |
| C4X | C5X | H5X2 | H5X3 | 117.2° | 120.1° |
| H4X1 | C4X | C5X | H5X1 | 54.7° | 60.0° |
| H4X1 | C4X | C5X | H5X2 | 180.0° | 59.9° |
| H4X1 | C4X | C5X | H5X3 | 70.5° | 180.0° |
| H4X2 | C4X | C5X | H5X1 | 54.7° | 60.0° |
| H4X2 | C4X | C5X | H5X2 | 70.5° | 180.0° |
| H4X2 | C4X | C5X | H5X3 | 179.9° | 59.9° |
| H5X1 | C5X | H5X2 | H5X3 | 117.1° | 119.9° |
