0W5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | C36 | sing | 1.53Å | 1.57Å | |
| C37 | C36 | sing | 1.53Å | 1.56Å | |
| C36 | C35 | sing | 1.53Å | 1.56Å | |
| C35 | C34 | sing | 1.53Å | 1.57Å | |
| C34 | C33 | sing | 1.53Å | 1.55Å | |
| C33 | C32 | sing | 1.53Å | 1.56Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | C30 | sing | 1.51Å | 1.50Å | |
| C29 | C30 | doub | 1.33Å | 1.35Å | |
| C29 | C28 | sing | 1.46Å | 1.47Å | |
| C27 | C28 | doub | 1.35Å | 1.36Å | |
| C27 | C2 | sing | 1.42Å | 1.49Å | |
| C2 | O1 | doub | 1.22Å | 1.23Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.08Å | 1.08Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C35 | H40 | sing | 1.09Å | 1.10Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å | |
| C37 | H45 | sing | 1.09Å | 1.10Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| C38 | H47 | sing | 1.09Å | 1.10Å | |
| C38 | H48 | sing | 1.09Å | 1.10Å | |
| C2 | OXT | sing | 1.35Å | 151.03Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C36 | C37 | 109.1° | 109.5° |
| C38 | C36 | C35 | 108.9° | 109.5° |
| C38 | C36 | H42 | 108.7° | 109.5° |
| C36 | C38 | H46 | 109.5° | 109.4° |
| C36 | C38 | H47 | 109.5° | 109.5° |
| C36 | C38 | H48 | 109.5° | 109.5° |
| C37 | C36 | C35 | 112.6° | 109.4° |
| C37 | C36 | H42 | 108.7° | 109.4° |
| C36 | C37 | H43 | 109.5° | 109.5° |
| C36 | C37 | H44 | 109.4° | 109.4° |
| C36 | C37 | H45 | 109.5° | 109.4° |
| C36 | C35 | C34 | 118.0° | 109.5° |
| C36 | C35 | H40 | 107.3° | 109.5° |
| C36 | C35 | H41 | 107.3° | 109.5° |
| C35 | C36 | H42 | 108.7° | 109.5° |
| C35 | C34 | C33 | 105.1° | 109.5° |
| C35 | C34 | H38 | 110.5° | 109.5° |
| C35 | C34 | H39 | 110.5° | 109.4° |
| C34 | C35 | H40 | 107.3° | 109.5° |
| C34 | C35 | H41 | 107.3° | 109.4° |
| C34 | C33 | C32 | 118.4° | 109.5° |
| C34 | C33 | H36 | 107.2° | 109.5° |
| C34 | C33 | H37 | 107.2° | 109.5° |
| C33 | C34 | H38 | 110.6° | 109.5° |
| C33 | C34 | H39 | 110.6° | 109.4° |
| C33 | C32 | C31 | 102.8° | 109.5° |
| C33 | C32 | H34 | 111.1° | 109.5° |
| C33 | C32 | H35 | 111.1° | 109.5° |
| C32 | C33 | H36 | 107.2° | 109.5° |
| C32 | C33 | H37 | 107.2° | 109.5° |
| C32 | C31 | C30 | 119.8° | 109.4° |
| C32 | C31 | H32 | 106.8° | 109.5° |
| C32 | C31 | H33 | 106.9° | 109.5° |
| C31 | C32 | H34 | 111.1° | 109.5° |
| C31 | C32 | H35 | 111.1° | 109.4° |
| C31 | C30 | C29 | 116.8° | 119.9° |
| C31 | C30 | H31 | 121.6° | 120.0° |
| C30 | C31 | H32 | 106.9° | 109.4° |
| C30 | C31 | H33 | 106.8° | 109.5° |
| C30 | C29 | C28 | 127.2° | 120.0° |
| C30 | C29 | H30 | 116.4° | 120.0° |
| C29 | C30 | H31 | 121.6° | 120.0° |
| C29 | C28 | C27 | 122.1° | 120.0° |
| C29 | C28 | H29 | 119.0° | 120.0° |
| C28 | C29 | H30 | 116.4° | 120.0° |
| C28 | C27 | C2 | 123.8° | 120.0° |
| C28 | C27 | H28 | 118.1° | 120.0° |
| C27 | C28 | H29 | 119.0° | 120.0° |
| C27 | C2 | O1 | 116.2° | 120.0° |
| C2 | C27 | H28 | 118.1° | 120.0° |
| C27 | C2 | OXT | 53.9° | 120.0° |
| O1 | C2 | OXT | 97.1° | 120.0° |
| H32 | C31 | H33 | 109.5° | 109.5° |
| H34 | C32 | H35 | 109.5° | 109.5° |
| H36 | C33 | H37 | 109.5° | 109.4° |
| H38 | C34 | H39 | 109.5° | 109.5° |
| H40 | C35 | H41 | 109.5° | 109.4° |
| H43 | C37 | H44 | 109.5° | 109.5° |
| H43 | C37 | H45 | 109.5° | 109.4° |
| H44 | C37 | H45 | 109.5° | 109.5° |
| H46 | C38 | H47 | 109.5° | 109.5° |
| H46 | C38 | H48 | 109.5° | 109.5° |
| H47 | C38 | H48 | 109.5° | 109.5° |
| C2 | OXT | HXT | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C36 | C37 | C35 | 121.1° | 120.0° |
| C38 | C36 | C37 | H42 | 118.4° | 120.0° |
| C38 | C36 | C35 | H42 | 118.3° | 120.1° |
| C38 | C36 | C35 | C34 | 179.1° | 175.0° |
| C38 | C36 | C35 | H40 | 57.8° | 65.0° |
| C38 | C36 | C35 | H41 | 59.7° | 55.0° |
| C38 | C36 | C37 | H43 | 180.0° | 179.9° |
| C38 | C36 | C37 | H44 | 60.0° | 60.0° |
| C38 | C36 | C37 | H45 | 60.0° | 60.0° |
| C36 | C38 | H46 | H47 | 120.0° | 120.0° |
| C36 | C38 | H46 | H48 | 120.0° | 120.0° |
| C36 | C38 | H47 | H48 | 120.0° | 120.0° |
| C37 | C36 | C35 | H42 | 120.5° | 119.9° |
| C37 | C36 | C35 | C34 | 59.7° | 65.0° |
| C37 | C36 | C35 | H40 | 179.1° | 55.0° |
| C37 | C36 | C35 | H41 | 61.5° | 175.0° |
| C36 | C37 | H43 | H44 | 120.0° | 120.0° |
| C36 | C37 | H43 | H45 | 120.0° | 119.9° |
| C36 | C37 | H44 | H45 | 120.0° | 120.0° |
| C37 | C36 | C38 | H46 | 180.0° | 180.0° |
| C37 | C36 | C38 | H47 | 60.0° | 60.0° |
| C37 | C36 | C38 | H48 | 60.0° | 60.0° |
| C36 | C35 | C34 | H40 | 121.2° | 120.0° |
| C36 | C35 | C34 | H41 | 121.2° | 120.0° |
| C36 | C35 | C34 | C33 | 179.7° | 180.0° |
| C36 | C35 | C34 | H38 | 61.0° | 59.9° |
| C36 | C35 | C34 | H39 | 60.3° | 60.0° |
| C36 | C35 | H40 | H41 | 116.1° | 120.0° |
| C35 | C36 | C37 | H43 | 58.8° | 60.0° |
| C35 | C36 | C37 | H44 | 61.1° | 60.0° |
| C35 | C36 | C37 | H45 | 178.9° | 179.9° |
| C35 | C36 | C38 | H46 | 56.6° | 60.0° |
| C35 | C36 | C38 | H47 | 176.7° | 180.0° |
| C35 | C36 | C38 | H48 | 63.4° | 60.0° |
| C35 | C34 | C33 | H38 | 119.3° | 120.1° |
| C35 | C34 | C33 | H39 | 119.3° | 120.0° |
| C35 | C34 | C33 | C32 | 178.0° | 180.0° |
| C35 | C34 | C33 | H36 | 56.7° | 59.9° |
| C35 | C34 | C33 | H37 | 60.7° | 60.0° |
| C35 | C34 | H38 | H39 | 122.0° | 120.0° |
| C34 | C35 | H40 | H41 | 116.1° | 120.0° |
| C34 | C35 | C36 | H42 | 60.8° | 54.9° |
| C34 | C33 | C32 | H36 | 121.3° | 120.0° |
| C34 | C33 | C32 | H37 | 121.3° | 120.0° |
| C34 | C33 | C32 | C31 | 178.9° | 180.0° |
| C34 | C33 | C32 | H34 | 62.2° | 60.0° |
| C34 | C33 | C32 | H35 | 60.0° | 60.0° |
| C34 | C33 | H36 | H37 | 115.9° | 120.0° |
| C33 | C34 | H38 | H39 | 122.1° | 120.0° |
| C33 | C34 | C35 | H40 | 58.5° | 60.0° |
| C33 | C34 | C35 | H41 | 59.1° | 60.0° |
| C33 | C32 | C31 | H34 | 118.9° | 120.0° |
| C33 | C32 | C31 | H35 | 118.9° | 120.0° |
| C33 | C32 | C31 | C30 | 176.6° | 180.0° |
| C33 | C32 | C31 | H32 | 55.2° | 60.0° |
| C33 | C32 | C31 | H33 | 61.9° | 60.0° |
| C33 | C32 | H34 | H35 | 123.1° | 120.0° |
| C32 | C33 | H36 | H37 | 116.0° | 120.0° |
| C32 | C33 | C34 | H38 | 62.8° | 60.0° |
| C32 | C33 | C34 | H39 | 58.7° | 60.0° |
| C32 | C31 | C30 | H32 | 121.4° | 119.9° |
| C32 | C31 | C30 | H33 | 121.5° | 120.0° |
| C32 | C31 | C30 | C29 | 160.0° | 125.0° |
| C32 | C31 | C30 | H31 | 20.0° | 55.0° |
| C32 | C31 | H32 | H33 | 115.4° | 120.0° |
| C31 | C32 | H34 | H35 | 123.1° | 120.0° |
| C31 | C32 | C33 | H36 | 57.6° | 60.0° |
| C31 | C32 | C33 | H37 | 59.8° | 60.0° |
| C31 | C30 | C29 | H31 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 175.6° | 180.0° |
| C31 | C30 | C29 | H30 | 4.4° | 0.0° |
| C30 | C31 | H32 | H33 | 115.3° | 120.0° |
| C30 | C31 | C32 | H34 | 64.5° | 60.0° |
| C30 | C31 | C32 | H35 | 57.7° | 60.0° |
| C30 | C29 | C28 | H30 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 178.6° | 180.0° |
| C30 | C29 | C28 | H29 | 1.4° | 0.0° |
| C29 | C30 | C31 | H32 | 78.6° | 115.0° |
| C29 | C30 | C31 | H33 | 38.5° | 5.0° |
| C29 | C28 | C27 | H29 | 180.0° | 180.0° |
| C29 | C28 | C27 | C2 | 176.6° | 180.0° |
| C29 | C28 | C27 | H28 | 3.5° | 0.1° |
| C28 | C29 | C30 | H31 | 4.4° | 0.0° |
| C28 | C27 | C2 | H28 | 180.0° | 180.0° |
| C28 | C27 | C2 | O1 | 1.4° | 0.1° |
| C27 | C28 | C29 | H30 | 1.4° | 0.0° |
| C28 | C27 | C2 | OXT | 77.7° | 179.8° |
| C27 | C2 | O1 | OXT | 53.1° | 179.8° |
| C2 | C27 | C28 | H29 | 3.4° | 0.0° |
| C27 | C2 | OXT | HXT | 90.0° | 179.7° |
| O1 | C2 | C27 | H28 | 178.6° | 179.9° |
| O1 | C2 | OXT | HXT | 90.0° | 0.1° |
| H28 | C27 | C28 | H29 | 176.5° | 180.0° |
| H28 | C27 | C2 | OXT | 102.3° | 0.2° |
| H29 | C28 | C29 | H30 | 178.6° | NaN° |
| H30 | C29 | C30 | H31 | 175.6° | 180.0° |
| H31 | C30 | C31 | H32 | 101.4° | 64.9° |
| H31 | C30 | C31 | H33 | 141.5° | 175.0° |
| H32 | C31 | C32 | H34 | 174.1° | 180.0° |
| H32 | C31 | C32 | H35 | 63.8° | 60.0° |
| H33 | C31 | C32 | H34 | 57.0° | 60.0° |
| H33 | C31 | C32 | H35 | 179.1° | 180.0° |
| H34 | C32 | C33 | H36 | 176.6° | 180.0° |
| H34 | C32 | C33 | H37 | 59.1° | 60.1° |
| H35 | C32 | C33 | H36 | 61.3° | 60.0° |
| H35 | C32 | C33 | H37 | 178.7° | 179.9° |
| H36 | C33 | C34 | H38 | 176.0° | 180.0° |
| H36 | C33 | C34 | H39 | 62.6° | 60.0° |
| H37 | C33 | C34 | H38 | 58.5° | 60.1° |
| H37 | C33 | C34 | H39 | 180.0° | 180.0° |
| H38 | C34 | C35 | H40 | 177.8° | 180.0° |
| H38 | C34 | C35 | H41 | 60.2° | 60.1° |
| H39 | C34 | C35 | H40 | 60.9° | 60.0° |
| H39 | C34 | C35 | H41 | 178.4° | 180.0° |
| H40 | C35 | C36 | H42 | 60.4° | 175.0° |
| H41 | C35 | C36 | H42 | 178.0° | 65.1° |
| H42 | C36 | C37 | H43 | 61.7° | 59.9° |
| H42 | C36 | C37 | H44 | 178.4° | NaN° |
| H42 | C36 | C37 | H45 | 58.4° | 60.0° |
| H42 | C36 | C38 | H46 | 61.6° | 60.1° |
| H42 | C36 | C38 | H47 | 58.4° | 60.0° |
| H42 | C36 | C38 | H48 | 178.4° | 180.0° |
| H43 | C37 | H44 | H45 | 120.0° | 120.0° |
| H46 | C38 | H47 | H48 | 120.0° | 120.0° |
