LNG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C1 | sing | 1.34Å | 1.24Å | |
| O11 | HO | sing | 0.97Å | 0.95Å | |
| O1 | C1 | doub | 1.21Å | 1.34Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.51Å | 1.46Å | |
| C2 | H2C1 | sing | 1.09Å | 1.10Å | |
| C2 | H2C2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.31Å | 1.32Å | |
| C3 | H3C1 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | H4C1 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C5 | H5C1 | sing | 1.09Å | 1.10Å | |
| C5 | H5C2 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | H6C1 | sing | 1.09Å | 1.10Å | |
| C6 | H6C2 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C7 | H7C1 | sing | 1.09Å | 1.10Å | |
| C7 | H7C2 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C8 | H8C1 | sing | 1.09Å | 1.10Å | |
| C8 | H8C2 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C9 | H9C1 | sing | 1.09Å | 1.10Å | |
| C9 | H9C2 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| C12 | C14 | sing | 1.53Å | 1.49Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O11 | HO | 109.5° | 117.0° |
| O11 | C1 | O1 | 120.2° | 120.0° |
| O11 | C1 | C2 | 121.3° | 120.0° |
| O1 | C1 | C2 | 118.4° | 120.0° |
| C1 | C2 | C3 | 114.5° | 109.5° |
| C1 | C2 | H2C1 | 107.8° | 109.5° |
| C1 | C2 | H2C2 | 107.8° | 109.5° |
| C3 | C2 | H2C1 | 107.8° | 109.4° |
| C3 | C2 | H2C2 | 107.8° | 109.5° |
| C2 | C3 | C4 | 130.7° | 120.0° |
| C2 | C3 | H3C1 | 114.6° | 120.0° |
| H2C1 | C2 | H2C2 | 111.1° | 109.4° |
| C4 | C3 | H3C1 | 114.6° | 120.1° |
| C3 | C4 | C5 | 123.0° | 120.0° |
| C3 | C4 | H4C1 | 118.5° | 120.0° |
| C5 | C4 | H4C1 | 118.5° | 120.0° |
| C4 | C5 | C6 | 113.3° | 109.5° |
| C4 | C5 | H5C1 | 108.2° | 109.5° |
| C4 | C5 | H5C2 | 108.2° | 109.5° |
| C6 | C5 | H5C1 | 108.2° | 109.5° |
| C6 | C5 | H5C2 | 108.2° | 109.5° |
| C5 | C6 | C7 | 106.5° | 109.5° |
| C5 | C6 | H6C1 | 110.5° | 109.5° |
| C5 | C6 | H6C2 | 110.5° | 109.5° |
| H5C1 | C5 | H5C2 | 110.7° | 109.4° |
| C7 | C6 | H6C1 | 110.4° | 109.4° |
| C7 | C6 | H6C2 | 110.5° | 109.5° |
| C6 | C7 | C8 | 118.9° | 109.5° |
| C6 | C7 | H7C1 | 106.4° | 109.5° |
| C6 | C7 | H7C2 | 106.4° | 109.5° |
| H6C1 | C6 | H6C2 | 108.5° | 109.5° |
| C8 | C7 | H7C1 | 106.5° | 109.5° |
| C8 | C7 | H7C2 | 106.4° | 109.5° |
| C7 | C8 | C9 | 114.5° | 109.5° |
| C7 | C8 | H8C1 | 107.8° | 109.5° |
| C7 | C8 | H8C2 | 107.8° | 109.4° |
| H7C1 | C7 | H7C2 | 112.3° | 109.5° |
| C9 | C8 | H8C1 | 107.8° | 109.5° |
| C9 | C8 | H8C2 | 107.8° | 109.5° |
| C8 | C9 | C10 | 114.3° | 109.5° |
| C8 | C9 | H9C1 | 107.9° | 109.4° |
| C8 | C9 | H9C2 | 107.9° | 109.4° |
| H8C1 | C8 | H8C2 | 111.1° | 109.5° |
| C10 | C9 | H9C1 | 107.9° | 109.5° |
| C10 | C9 | H9C2 | 107.9° | 109.5° |
| C9 | C10 | C11 | 113.7° | 109.5° |
| C9 | C10 | H101 | 108.1° | 109.4° |
| C9 | C10 | H102 | 108.0° | 109.5° |
| H9C1 | C9 | H9C2 | 111.1° | 109.5° |
| C11 | C10 | H101 | 108.1° | 109.5° |
| C11 | C10 | H102 | 108.1° | 109.5° |
| C10 | C11 | C12 | 115.3° | 109.5° |
| C10 | C11 | H111 | 107.6° | 109.5° |
| C10 | C11 | H112 | 107.6° | 109.5° |
| H101 | C10 | H102 | 110.8° | 109.5° |
| C12 | C11 | H111 | 107.6° | 109.5° |
| C12 | C11 | H112 | 107.6° | 109.5° |
| C11 | C12 | C13 | 112.5° | 109.5° |
| C11 | C12 | C14 | 110.7° | 109.5° |
| C11 | C12 | H12 | 105.5° | 109.5° |
| H111 | C11 | H112 | 111.3° | 109.4° |
| C13 | C12 | C14 | 106.0° | 109.4° |
| C13 | C12 | H12 | 110.2° | 109.5° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.4° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C14 | C12 | H12 | 112.1° | 109.5° |
| C12 | C14 | H141 | 109.5° | 109.5° |
| C12 | C14 | H142 | 109.5° | 109.4° |
| C12 | C14 | H143 | 109.5° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H131 | C13 | H133 | 109.5° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.4° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C1 | O1 | C2 | 179.7° | 179.9° |
| O11 | C1 | C2 | C3 | 141.3° | 180.0° |
| O11 | C1 | C2 | H2C1 | 98.7° | 59.9° |
| O11 | C1 | C2 | H2C2 | 21.3° | 60.0° |
| HO | O11 | C1 | O1 | 0.0° | 0.1° |
| HO | O11 | C1 | C2 | 179.6° | 180.0° |
| O1 | C1 | C2 | C3 | 38.3° | 0.1° |
| O1 | C1 | C2 | H2C1 | 81.7° | 120.0° |
| O1 | C1 | C2 | H2C2 | 158.3° | 120.1° |
| C1 | C2 | C3 | H2C1 | 120.0° | 120.1° |
| C1 | C2 | C3 | H2C2 | 120.0° | 120.0° |
| C1 | C2 | H2C1 | H2C2 | 118.0° | 120.0° |
| C1 | C2 | C3 | C4 | 90.9° | 127.6° |
| C1 | C2 | C3 | H3C1 | 89.1° | 52.3° |
| C3 | C2 | H2C1 | H2C2 | 118.0° | 120.0° |
| C2 | C3 | C4 | H3C1 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 2.6° | 7.6° |
| C2 | C3 | C4 | H4C1 | 177.5° | 172.5° |
| H2C1 | C2 | C3 | C4 | 149.1° | 7.5° |
| H2C1 | C2 | C3 | H3C1 | 30.9° | 172.4° |
| H2C2 | C2 | C3 | C4 | 29.1° | 112.4° |
| H2C2 | C2 | C3 | H3C1 | 150.9° | 67.7° |
| C3 | C4 | C5 | H4C1 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 126.9° | 126.3° |
| C3 | C4 | C5 | H5C1 | 6.9° | 113.7° |
| C3 | C4 | C5 | H5C2 | 113.1° | 6.3° |
| H3C1 | C3 | C4 | C5 | 177.4° | 172.5° |
| H3C1 | C3 | C4 | H4C1 | 2.6° | 7.5° |
| C4 | C5 | C6 | H5C1 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5C2 | 120.0° | 120.0° |
| C4 | C5 | H5C1 | H5C2 | 118.4° | 120.0° |
| C4 | C5 | C6 | C7 | 178.4° | 180.0° |
| C4 | C5 | C6 | H6C1 | 61.7° | 60.0° |
| C4 | C5 | C6 | H6C2 | 58.3° | 60.0° |
| H4C1 | C4 | C5 | C6 | 53.1° | 53.6° |
| H4C1 | C4 | C5 | H5C1 | 173.1° | 66.4° |
| H4C1 | C4 | C5 | H5C2 | 66.8° | 173.7° |
| C6 | C5 | H5C1 | H5C2 | 118.4° | 120.0° |
| C5 | C6 | C7 | H6C1 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6C2 | 120.0° | 120.1° |
| C5 | C6 | H6C1 | H6C2 | 121.2° | 120.1° |
| C5 | C6 | C7 | C8 | 69.0° | 180.0° |
| C5 | C6 | C7 | H7C1 | 171.0° | 60.0° |
| C5 | C6 | C7 | H7C2 | 50.9° | 60.0° |
| H5C1 | C5 | C6 | C7 | 58.4° | 60.0° |
| H5C1 | C5 | C6 | H6C1 | 178.3° | 179.9° |
| H5C1 | C5 | C6 | H6C2 | 61.7° | 60.0° |
| H5C2 | C5 | C6 | C7 | 61.7° | 59.9° |
| H5C2 | C5 | C6 | H6C1 | 58.3° | 60.0° |
| H5C2 | C5 | C6 | H6C2 | 178.3° | 180.0° |
| C7 | C6 | H6C1 | H6C2 | 121.2° | 119.9° |
| C6 | C7 | C8 | H7C1 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7C2 | 120.0° | 120.0° |
| C6 | C7 | H7C1 | H7C2 | 116.1° | 120.0° |
| C6 | C7 | C8 | C9 | 172.4° | 180.0° |
| C6 | C7 | C8 | H8C1 | 67.6° | 60.0° |
| C6 | C7 | C8 | H8C2 | 52.4° | 60.0° |
| H6C1 | C6 | C7 | C8 | 51.0° | 60.0° |
| H6C1 | C6 | C7 | H7C1 | 69.0° | 180.0° |
| H6C1 | C6 | C7 | H7C2 | 170.9° | 60.0° |
| H6C2 | C6 | C7 | C8 | 171.0° | 60.0° |
| H6C2 | C6 | C7 | H7C1 | 51.0° | 60.0° |
| H6C2 | C6 | C7 | H7C2 | 69.1° | 180.0° |
| C8 | C7 | H7C1 | H7C2 | 116.1° | 120.0° |
| C7 | C8 | C9 | H8C1 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8C2 | 120.0° | 120.0° |
| C7 | C8 | H8C1 | H8C2 | 117.9° | 120.0° |
| C7 | C8 | C9 | C10 | 178.9° | 180.0° |
| C7 | C8 | C9 | H9C1 | 58.9° | 60.0° |
| C7 | C8 | C9 | H9C2 | 61.1° | 60.0° |
| H7C1 | C7 | C8 | C9 | 52.4° | 60.0° |
| H7C1 | C7 | C8 | H8C1 | 172.4° | 179.9° |
| H7C1 | C7 | C8 | H8C2 | 67.6° | 60.0° |
| H7C2 | C7 | C8 | C9 | 67.6° | 60.0° |
| H7C2 | C7 | C8 | H8C1 | 52.4° | 60.0° |
| H7C2 | C7 | C8 | H8C2 | 172.4° | 180.0° |
| C9 | C8 | H8C1 | H8C2 | 117.9° | 120.0° |
| C8 | C9 | C10 | H9C1 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9C2 | 120.0° | 120.0° |
| C8 | C9 | H9C1 | H9C2 | 118.0° | 119.9° |
| C8 | C9 | C10 | C11 | 170.5° | 180.0° |
| C8 | C9 | C10 | H101 | 50.5° | 60.0° |
| C8 | C9 | C10 | H102 | 69.5° | 60.0° |
| H8C1 | C8 | C9 | C10 | 61.1° | 60.0° |
| H8C1 | C8 | C9 | H9C1 | 179.0° | 180.0° |
| H8C1 | C8 | C9 | H9C2 | 58.9° | 60.1° |
| H8C2 | C8 | C9 | C10 | 58.9° | 60.0° |
| H8C2 | C8 | C9 | H9C1 | 61.0° | 60.0° |
| H8C2 | C8 | C9 | H9C2 | 178.9° | 179.9° |
| C10 | C9 | H9C1 | H9C2 | 118.0° | 120.1° |
| C9 | C10 | C11 | H101 | 120.0° | 120.0° |
| C9 | C10 | C11 | H102 | 120.0° | 120.0° |
| C9 | C10 | H101 | H102 | 118.2° | 120.0° |
| C9 | C10 | C11 | C12 | 180.0° | 180.0° |
| C9 | C10 | C11 | H111 | 60.0° | 60.0° |
| C9 | C10 | C11 | H112 | 60.0° | 60.0° |
| H9C1 | C9 | C10 | C11 | 69.5° | 60.0° |
| H9C1 | C9 | C10 | H101 | 170.5° | 180.0° |
| H9C1 | C9 | C10 | H102 | 50.5° | 60.0° |
| H9C2 | C9 | C10 | C11 | 50.6° | 60.0° |
| H9C2 | C9 | C10 | H101 | 69.4° | 60.0° |
| H9C2 | C9 | C10 | H102 | 170.6° | 180.0° |
| C11 | C10 | H101 | H102 | 118.3° | 120.0° |
| C10 | C11 | C12 | H111 | 120.0° | 120.0° |
| C10 | C11 | C12 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 117.6° | 120.0° |
| C10 | C11 | C12 | C13 | 84.5° | 175.0° |
| C10 | C11 | C12 | C14 | 157.1° | 65.0° |
| C10 | C11 | C12 | H12 | 35.7° | 55.0° |
| H101 | C10 | C11 | C12 | 60.0° | 60.0° |
| H101 | C10 | C11 | H111 | 180.0° | 180.0° |
| H101 | C10 | C11 | H112 | 60.1° | 60.0° |
| H102 | C10 | C11 | C12 | 60.0° | 60.0° |
| H102 | C10 | C11 | H111 | 60.0° | 60.0° |
| H102 | C10 | C11 | H112 | 180.0° | 180.0° |
| C12 | C11 | H111 | H112 | 117.6° | 120.0° |
| C11 | C12 | C13 | C14 | 121.1° | 120.0° |
| C11 | C12 | C13 | H12 | 117.4° | 120.1° |
| C11 | C12 | C14 | H12 | 117.5° | 120.0° |
| C11 | C12 | C13 | H131 | 180.0° | 60.0° |
| C11 | C12 | C13 | H132 | 60.0° | 179.9° |
| C11 | C12 | C13 | H133 | 60.0° | 60.0° |
| C11 | C12 | C14 | H141 | 180.0° | 60.0° |
| C11 | C12 | C14 | H142 | 60.0° | 60.1° |
| C11 | C12 | C14 | H143 | 60.0° | 180.0° |
| H111 | C11 | C12 | C13 | 155.5° | 55.0° |
| H111 | C11 | C12 | C14 | 37.1° | 174.9° |
| H111 | C11 | C12 | H12 | 84.3° | 65.1° |
| H112 | C11 | C12 | C13 | 35.5° | 65.0° |
| H112 | C11 | C12 | C14 | 82.9° | 55.0° |
| H112 | C11 | C12 | H12 | 155.7° | 175.0° |
| C13 | C12 | C14 | H12 | 120.3° | 120.0° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.1° |
| C13 | C12 | C14 | H141 | 57.8° | 60.0° |
| C13 | C12 | C14 | H142 | 177.7° | 179.9° |
| C13 | C12 | C14 | H143 | 62.3° | 60.0° |
| C14 | C12 | C13 | H131 | 58.9° | 60.0° |
| C14 | C12 | C13 | H132 | 61.1° | 60.0° |
| C14 | C12 | C13 | H133 | 178.9° | 179.9° |
| C12 | C14 | H141 | H142 | 120.0° | 120.0° |
| C12 | C14 | H141 | H143 | 120.0° | 120.0° |
| C12 | C14 | H142 | H143 | 120.0° | 119.9° |
| H12 | C12 | C13 | H131 | 62.6° | 180.0° |
| H12 | C12 | C13 | H132 | 177.4° | 60.0° |
| H12 | C12 | C13 | H133 | 57.4° | 60.1° |
| H12 | C12 | C14 | H141 | 62.5° | 180.0° |
| H12 | C12 | C14 | H142 | 57.4° | 60.0° |
| H12 | C12 | C14 | H143 | 177.4° | 60.0° |
| H131 | C13 | H132 | H133 | 120.0° | 119.9° |
| H141 | C14 | H142 | H143 | 120.0° | 120.1° |
