FII
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.12Å | |
| C2 | C6 | sing | 1.51Å | 1.50Å | |
| C2 | C10 | doub | 1.31Å | 1.36Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C6 | H63 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | H101 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C15 | sing | 1.51Å | 1.52Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C15 | C18 | sing | 1.51Å | 1.52Å | |
| C15 | C22 | doub | 1.31Å | 1.37Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C18 | H183 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C22 | H221 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C27 | sing | 1.51Å | 1.52Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C27 | C30 | sing | 1.51Å | 1.50Å | |
| C27 | C34 | doub | 1.31Å | 1.35Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C30 | H303 | sing | 1.09Å | 1.11Å | |
| C34 | C35 | sing | 1.51Å | 1.52Å | |
| C34 | H341 | sing | 1.08Å | 1.10Å | |
| C35 | O36 | sing | 1.43Å | 1.42Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| O36 | N42 | sing | 1.42Å | 1.40Å | |
| N42 | C43 | sing | 1.35Å | 1.35Å | |
| N42 | HN1 | sing | 0.97Å | 1.02Å | |
| C43 | O44 | doub | 1.21Å | 1.23Å | |
| C43 | C45 | sing | 1.51Å | 1.52Å | |
| C45 | P46 | sing | 1.82Å | 1.82Å | |
| C45 | H451 | sing | 1.09Å | 1.12Å | |
| C45 | H452 | sing | 1.09Å | 1.12Å | |
| P46 | O49 | doub | 1.48Å | 1.46Å | |
| P46 | O50 | sing | 1.61Å | 1.45Å | |
| P46 | O51 | sing | 1.61Å | 1.46Å | |
| O50 | H501 | sing | 0.97Å | 0.95Å | |
| O51 | H511 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 113.3° | 109.5° |
| C2 | C1 | H12 | 110.8° | 109.5° |
| C2 | C1 | H13 | 110.8° | 109.5° |
| C1 | C2 | C6 | 113.2° | 120.0° |
| C1 | C2 | C10 | 125.5° | 120.0° |
| H11 | C1 | H12 | 110.9° | 109.4° |
| H11 | C1 | H13 | 110.8° | 109.5° |
| H12 | C1 | H13 | 99.5° | 109.4° |
| C6 | C2 | C10 | 121.3° | 120.0° |
| C2 | C6 | H61 | 113.2° | 109.5° |
| C2 | C6 | H62 | 110.9° | 109.5° |
| C2 | C6 | H63 | 110.8° | 109.5° |
| C2 | C10 | C11 | 126.5° | 120.0° |
| C2 | C10 | H101 | 110.7° | 119.9° |
| H61 | C6 | H62 | 110.8° | 109.4° |
| H61 | C6 | H63 | 110.9° | 109.5° |
| H62 | C6 | H63 | 99.5° | 109.5° |
| C11 | C10 | H101 | 122.8° | 120.1° |
| C10 | C11 | C12 | 110.5° | 109.4° |
| C10 | C11 | H111 | 111.8° | 109.5° |
| C10 | C11 | H112 | 111.8° | 109.5° |
| C12 | C11 | H111 | 111.8° | 109.5° |
| C12 | C11 | H112 | 111.8° | 109.5° |
| C11 | C12 | C15 | 114.6° | 109.5° |
| C11 | C12 | H121 | 110.3° | 109.5° |
| C11 | C12 | H122 | 110.4° | 109.5° |
| H111 | C11 | H112 | 98.6° | 109.5° |
| C15 | C12 | H121 | 110.3° | 109.5° |
| C15 | C12 | H122 | 110.4° | 109.4° |
| C12 | C15 | C18 | 112.8° | 120.0° |
| C12 | C15 | C22 | 124.7° | 120.0° |
| H121 | C12 | H122 | 99.9° | 109.5° |
| C18 | C15 | C22 | 122.5° | 120.0° |
| C15 | C18 | H181 | 112.8° | 109.4° |
| C15 | C18 | H182 | 111.0° | 109.4° |
| C15 | C18 | H183 | 111.0° | 109.5° |
| C15 | C22 | C23 | 123.3° | 120.0° |
| C15 | C22 | H221 | 112.6° | 120.0° |
| H181 | C18 | H182 | 111.0° | 109.5° |
| H181 | C18 | H183 | 111.0° | 109.5° |
| H182 | C18 | H183 | 99.3° | 109.5° |
| C23 | C22 | H221 | 124.1° | 120.0° |
| C22 | C23 | C24 | 113.3° | 109.5° |
| C22 | C23 | H231 | 110.8° | 109.5° |
| C22 | C23 | H232 | 110.8° | 109.5° |
| C24 | C23 | H231 | 110.8° | 109.5° |
| C24 | C23 | H232 | 110.8° | 109.5° |
| C23 | C24 | C27 | 112.7° | 109.5° |
| C23 | C24 | H241 | 111.0° | 109.5° |
| C23 | C24 | H242 | 111.0° | 109.5° |
| H231 | C23 | H232 | 99.5° | 109.5° |
| C27 | C24 | H241 | 111.0° | 109.5° |
| C27 | C24 | H242 | 111.0° | 109.5° |
| C24 | C27 | C30 | 115.0° | 120.0° |
| C24 | C27 | C34 | 122.7° | 119.9° |
| H241 | C24 | H242 | 99.3° | 109.5° |
| C30 | C27 | C34 | 122.2° | 120.1° |
| C27 | C30 | H301 | 115.0° | 109.5° |
| C27 | C30 | H302 | 110.2° | 109.5° |
| C27 | C30 | H303 | 110.2° | 109.5° |
| C27 | C34 | C35 | 123.7° | 120.0° |
| C27 | C34 | H341 | 111.9° | 120.1° |
| H301 | C30 | H302 | 110.2° | 109.5° |
| H301 | C30 | H303 | 110.2° | 109.4° |
| H302 | C30 | H303 | 100.1° | 109.5° |
| C35 | C34 | H341 | 124.5° | 119.9° |
| C34 | C35 | O36 | 110.2° | 109.5° |
| C34 | C35 | H351 | 111.9° | 109.5° |
| C34 | C35 | H352 | 111.9° | 109.4° |
| O36 | C35 | H351 | 111.9° | 109.5° |
| O36 | C35 | H352 | 111.9° | 109.5° |
| C35 | O36 | N42 | 109.9° | 106.8° |
| H351 | C35 | H352 | 98.5° | 109.5° |
| O36 | N42 | C43 | 120.9° | 120.0° |
| O36 | N42 | HN1 | 121.6° | 120.0° |
| C43 | N42 | HN1 | 117.6° | 120.0° |
| N42 | C43 | O44 | 125.6° | 120.0° |
| N42 | C43 | C45 | 112.4° | 120.0° |
| O44 | C43 | C45 | 121.9° | 120.0° |
| C43 | C45 | P46 | 112.2° | 109.5° |
| C43 | C45 | H451 | 111.2° | 109.5° |
| C43 | C45 | H452 | 111.2° | 109.5° |
| P46 | C45 | H451 | 111.2° | 109.4° |
| P46 | C45 | H452 | 111.2° | 109.5° |
| C45 | P46 | O49 | 107.3° | 109.5° |
| C45 | P46 | O50 | 111.3° | 109.5° |
| C45 | P46 | O51 | 109.1° | 109.5° |
| H451 | C45 | H452 | 99.1° | 109.4° |
| O49 | P46 | O50 | 109.1° | 109.4° |
| O49 | P46 | O51 | 111.2° | 109.4° |
| O50 | P46 | O51 | 109.0° | 109.5° |
| P46 | O50 | H501 | 111.3° | 106.8° |
| P46 | O51 | H511 | 109.0° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 125.3° | 120.0° |
| C2 | C1 | H11 | H13 | 125.2° | 120.1° |
| C2 | C1 | H12 | H13 | 116.6° | 120.0° |
| C1 | C2 | C6 | C10 | 179.9° | 180.0° |
| C1 | C2 | C6 | H61 | 180.0° | 125.0° |
| C1 | C2 | C6 | H62 | 54.8° | 5.1° |
| C1 | C2 | C6 | H63 | 54.7° | 114.9° |
| C1 | C2 | C10 | C11 | 0.0° | 174.4° |
| C1 | C2 | C10 | H101 | 180.0° | 5.7° |
| H11 | C1 | H12 | H13 | 116.7° | 120.0° |
| H11 | C1 | C2 | C6 | 180.0° | 119.9° |
| H11 | C1 | C2 | C10 | 0.1° | 60.0° |
| H12 | C1 | C2 | C6 | 54.7° | 0.0° |
| H12 | C1 | C2 | C10 | 125.2° | 180.0° |
| H13 | C1 | C2 | C6 | 54.7° | 120.0° |
| H13 | C1 | C2 | C10 | 125.3° | 60.0° |
| C2 | C6 | H61 | H62 | 125.2° | 119.9° |
| C2 | C6 | H61 | H63 | 125.3° | 120.0° |
| C2 | C6 | H62 | H63 | 116.7° | 120.1° |
| C6 | C2 | C10 | C11 | 180.0° | 5.6° |
| C6 | C2 | C10 | H101 | 0.1° | 174.3° |
| C10 | C2 | C6 | H61 | 0.1° | 55.0° |
| C10 | C2 | C6 | H62 | 125.3° | 174.9° |
| C10 | C2 | C6 | H63 | 125.2° | 65.0° |
| C2 | C10 | C11 | H101 | 180.0° | 179.9° |
| C2 | C10 | C11 | C12 | 132.3° | 125.7° |
| C2 | C10 | C11 | H111 | 102.4° | 114.3° |
| C2 | C10 | C11 | H112 | 7.1° | 5.7° |
| H61 | C6 | H62 | H63 | 116.7° | 120.0° |
| C10 | C11 | C12 | H111 | 125.3° | 120.0° |
| C10 | C11 | C12 | H112 | 125.2° | 120.0° |
| C10 | C11 | H111 | H112 | 117.7° | 120.1° |
| C10 | C11 | C12 | C15 | 176.5° | 180.0° |
| C10 | C11 | C12 | H121 | 58.3° | 60.0° |
| C10 | C11 | C12 | H122 | 51.2° | 60.0° |
| H101 | C10 | C11 | C12 | 47.6° | 54.4° |
| H101 | C10 | C11 | H111 | 77.6° | 65.6° |
| H101 | C10 | C11 | H112 | 172.8° | 174.4° |
| C12 | C11 | H111 | H112 | 117.7° | 120.0° |
| C11 | C12 | C15 | H121 | 125.3° | 120.0° |
| C11 | C12 | C15 | H122 | 125.3° | 120.0° |
| C11 | C12 | H121 | H122 | 116.2° | 120.0° |
| C11 | C12 | C15 | C18 | 169.8° | 90.0° |
| C11 | C12 | C15 | C22 | 10.3° | 90.0° |
| H111 | C11 | C12 | C15 | 51.2° | 60.0° |
| H111 | C11 | C12 | H121 | 176.5° | 180.0° |
| H111 | C11 | C12 | H122 | 74.1° | 60.0° |
| H112 | C11 | C12 | C15 | 58.3° | 60.0° |
| H112 | C11 | C12 | H121 | 66.9° | 60.0° |
| H112 | C11 | C12 | H122 | 176.4° | 180.0° |
| C15 | C12 | H121 | H122 | 116.2° | 120.0° |
| C12 | C15 | C18 | C22 | 179.9° | 179.9° |
| C12 | C15 | C18 | H181 | 180.0° | 125.1° |
| C12 | C15 | C18 | H182 | 54.7° | 5.1° |
| C12 | C15 | C18 | H183 | 54.7° | 114.9° |
| C12 | C15 | C22 | C23 | 180.0° | 174.3° |
| C12 | C15 | C22 | H221 | 0.0° | 5.7° |
| H121 | C12 | C15 | C18 | 44.5° | 150.0° |
| H121 | C12 | C15 | C22 | 135.6° | 30.1° |
| H122 | C12 | C15 | C18 | 64.9° | 30.0° |
| H122 | C12 | C15 | C22 | 115.0° | 150.0° |
| C15 | C18 | H181 | H182 | 125.3° | 120.0° |
| C15 | C18 | H181 | H183 | 125.3° | 120.0° |
| C15 | C18 | H182 | H183 | 116.9° | 120.0° |
| C18 | C15 | C22 | C23 | 0.1° | 5.6° |
| C18 | C15 | C22 | H221 | 179.9° | 174.4° |
| C22 | C15 | C18 | H181 | 0.1° | 54.9° |
| C22 | C15 | C18 | H182 | 125.4° | 175.0° |
| C22 | C15 | C18 | H183 | 125.2° | 65.0° |
| C15 | C22 | C23 | H221 | 179.9° | 180.0° |
| C15 | C22 | C23 | C24 | 169.6° | 125.7° |
| C15 | C22 | C23 | H231 | 44.3° | 114.3° |
| C15 | C22 | C23 | H232 | 65.1° | 5.7° |
| H181 | C18 | H182 | H183 | 116.8° | 120.1° |
| C22 | C23 | C24 | H231 | 125.2° | 120.0° |
| C22 | C23 | C24 | H232 | 125.3° | 120.0° |
| C22 | C23 | H231 | H232 | 116.7° | 120.0° |
| C22 | C23 | C24 | C27 | 175.2° | 180.0° |
| C22 | C23 | C24 | H241 | 50.0° | 60.0° |
| C22 | C23 | C24 | H242 | 59.5° | 60.0° |
| H221 | C22 | C23 | C24 | 10.4° | 54.3° |
| H221 | C22 | C23 | H231 | 135.7° | 65.7° |
| H221 | C22 | C23 | H232 | 114.9° | 174.3° |
| C24 | C23 | H231 | H232 | 116.7° | 120.0° |
| C23 | C24 | C27 | H241 | 125.2° | 120.0° |
| C23 | C24 | C27 | H242 | 125.2° | 120.0° |
| C23 | C24 | H241 | H242 | 116.9° | 120.0° |
| C23 | C24 | C27 | C30 | 71.9° | 90.0° |
| C23 | C24 | C27 | C34 | 108.1° | 90.0° |
| H231 | C23 | C24 | C27 | 59.5° | 60.0° |
| H231 | C23 | C24 | H241 | 175.2° | 180.0° |
| H231 | C23 | C24 | H242 | 65.7° | 60.0° |
| H232 | C23 | C24 | C27 | 49.9° | 60.0° |
| H232 | C23 | C24 | H241 | 75.3° | 60.0° |
| H232 | C23 | C24 | H242 | 175.2° | 180.0° |
| C27 | C24 | H241 | H242 | 116.9° | 120.0° |
| C24 | C27 | C30 | C34 | 179.9° | 180.0° |
| C24 | C27 | C30 | H301 | 180.0° | 2.9° |
| C24 | C27 | C30 | H302 | 54.7° | 123.0° |
| C24 | C27 | C30 | H303 | 54.7° | 117.0° |
| C24 | C27 | C34 | C35 | 180.0° | 175.0° |
| C24 | C27 | C34 | H341 | 0.1° | 5.1° |
| H241 | C24 | C27 | C30 | 53.3° | 150.0° |
| H241 | C24 | C27 | C34 | 126.6° | 30.0° |
| H242 | C24 | C27 | C30 | 162.8° | 30.0° |
| H242 | C24 | C27 | C34 | 17.1° | 150.0° |
| C27 | C30 | H301 | H302 | 125.2° | 120.0° |
| C27 | C30 | H301 | H303 | 125.3° | 120.0° |
| C27 | C30 | H302 | H303 | 116.0° | 120.0° |
| C30 | C27 | C34 | C35 | 0.0° | 5.1° |
| C30 | C27 | C34 | H341 | 180.0° | 174.9° |
| C34 | C27 | C30 | H301 | 0.1° | 177.1° |
| C34 | C27 | C30 | H302 | 125.3° | 57.1° |
| C34 | C27 | C30 | H303 | 125.2° | 63.0° |
| C27 | C34 | C35 | H341 | 180.0° | 180.0° |
| C27 | C34 | C35 | O36 | 128.9° | 135.5° |
| C27 | C34 | C35 | H351 | 3.7° | 104.5° |
| C27 | C34 | C35 | H352 | 105.8° | 15.5° |
| H301 | C30 | H302 | H303 | 116.1° | 119.9° |
| C34 | C35 | O36 | H351 | 125.2° | 120.0° |
| C34 | C35 | O36 | H352 | 125.2° | 119.9° |
| C34 | C35 | H351 | H352 | 117.9° | 119.9° |
| C34 | C35 | O36 | N42 | 70.0° | 180.0° |
| H341 | C34 | C35 | O36 | 51.0° | 44.5° |
| H341 | C34 | C35 | H351 | 176.3° | 75.5° |
| H341 | C34 | C35 | H352 | 74.2° | 164.6° |
| O36 | C35 | H351 | H352 | 117.9° | 120.1° |
| C35 | O36 | N42 | C43 | 98.4° | 179.9° |
| C35 | O36 | N42 | HN1 | 81.6° | 0.1° |
| H351 | C35 | O36 | N42 | 55.2° | 60.0° |
| H352 | C35 | O36 | N42 | 164.7° | 60.0° |
| O36 | N42 | C43 | HN1 | 180.0° | 179.8° |
| O36 | N42 | C43 | O44 | 1.8° | 0.1° |
| O36 | N42 | C43 | C45 | 175.5° | 180.0° |
| N42 | C43 | O44 | C45 | 177.0° | 179.9° |
| N42 | C43 | C45 | P46 | 148.7° | 89.9° |
| N42 | C43 | C45 | H451 | 86.1° | 30.1° |
| N42 | C43 | C45 | H452 | 23.4° | 150.0° |
| HN1 | N42 | C43 | O44 | 178.3° | 179.9° |
| HN1 | N42 | C43 | C45 | 4.5° | 0.2° |
| O44 | C43 | C45 | P46 | 34.0° | 90.0° |
| O44 | C43 | C45 | H451 | 91.3° | 150.0° |
| O44 | C43 | C45 | H452 | 159.3° | 30.1° |
| C43 | C45 | P46 | H451 | 125.3° | 120.0° |
| C43 | C45 | P46 | H452 | 125.3° | 120.1° |
| C43 | C45 | H451 | H452 | 117.1° | 120.0° |
| C43 | C45 | P46 | O49 | 170.3° | 60.0° |
| C43 | C45 | P46 | O50 | 70.4° | 180.0° |
| C43 | C45 | P46 | O51 | 49.8° | 60.0° |
| P46 | C45 | H451 | H452 | 117.1° | 120.0° |
| C45 | P46 | O49 | O50 | 120.6° | 120.1° |
| C45 | P46 | O49 | O51 | 119.2° | 120.0° |
| C45 | P46 | O50 | O51 | 120.3° | 120.0° |
| C45 | P46 | O50 | H501 | 179.9° | 180.0° |
| C45 | P46 | O51 | H511 | 180.0° | 60.0° |
| H451 | C45 | P46 | O49 | 64.4° | 60.0° |
| H451 | C45 | P46 | O50 | 54.9° | 60.0° |
| H451 | C45 | P46 | O51 | 175.1° | 180.0° |
| H452 | C45 | P46 | O49 | 45.0° | 179.9° |
| H452 | C45 | P46 | O50 | 164.3° | 59.9° |
| H452 | C45 | P46 | O51 | 75.5° | 60.1° |
| O49 | P46 | O50 | O51 | 121.5° | 119.9° |
| O49 | P46 | O50 | H501 | 61.8° | 60.0° |
| O49 | P46 | O51 | H511 | 61.9° | 180.0° |
| O50 | P46 | O51 | H511 | 58.4° | 60.0° |
| O51 | P46 | O50 | H501 | 59.8° | 60.0° |
