PRD_900101
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O41 | C12 | sing | 1.43Å | 1.40Å | |
| O41 | HO41 | sing | 0.97Å | 0.95Å | |
| C12 | C22 | sing | 1.53Å | 1.52Å | |
| C12 | O52 | sing | 1.43Å | 1.42Å | |
| C12 | H12 | sing | 1.09Å | 1.12Å | |
| C22 | O22 | sing | 1.43Å | 1.42Å | |
| C22 | C32 | sing | 1.53Å | 1.53Å | |
| C22 | H22 | sing | 1.09Å | 1.11Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| C32 | O32 | sing | 1.43Å | 1.42Å | |
| C32 | C42 | sing | 1.53Å | 1.54Å | |
| C32 | H32 | sing | 1.09Å | 1.11Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å | |
| C42 | C52 | sing | 1.53Å | 1.53Å | |
| C42 | S13 | sing | 1.81Å | 1.82Å | |
| C42 | H42 | sing | 1.09Å | 1.11Å | |
| C52 | O52 | sing | 1.43Å | 1.44Å | |
| C52 | C62 | sing | 1.53Å | 1.51Å | |
| C52 | H52 | sing | 1.09Å | 1.12Å | |
| C62 | O62 | sing | 1.43Å | 1.42Å | |
| C62 | H621 | sing | 1.09Å | 1.11Å | |
| C62 | H622 | sing | 1.09Å | 1.12Å | |
| O62 | HO62 | sing | 0.97Å | 0.95Å | |
| C13 | S13 | sing | 1.81Å | 1.81Å | |
| C13 | C23 | sing | 1.53Å | 1.52Å | |
| C13 | O53 | sing | 1.43Å | 1.42Å | |
| C13 | H13 | sing | 1.09Å | 1.11Å | |
| C23 | O23 | sing | 1.43Å | 1.42Å | |
| C23 | C33 | sing | 1.54Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.11Å | |
| O23 | HO23 | sing | 0.97Å | 0.95Å | |
| C33 | O33 | sing | 1.43Å | 1.42Å | |
| C33 | C43 | sing | 1.53Å | 1.53Å | |
| C33 | H33 | sing | 1.09Å | 1.12Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å | |
| C43 | O43 | sing | 1.43Å | 1.45Å | |
| C43 | C53 | sing | 1.53Å | 1.53Å | |
| C43 | H43 | sing | 1.09Å | 1.11Å | |
| O43 | C14 | sing | 1.43Å | 1.41Å | |
| C53 | O53 | sing | 1.43Å | 1.44Å | |
| C53 | C63 | sing | 1.53Å | 1.52Å | |
| C53 | H53 | sing | 1.09Å | 1.12Å | |
| C63 | O63 | sing | 1.43Å | 1.42Å | |
| C63 | H631 | sing | 1.09Å | 1.12Å | |
| C63 | H632 | sing | 1.09Å | 1.12Å | |
| O63 | HO63 | sing | 0.97Å | 0.95Å | |
| C14 | C24 | sing | 1.53Å | 1.53Å | |
| C14 | O54 | sing | 1.43Å | 1.42Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C24 | O24 | sing | 1.43Å | 1.42Å | |
| C24 | C34 | sing | 1.53Å | 1.52Å | |
| C24 | H24 | sing | 1.09Å | 1.11Å | |
| O24 | HO24 | sing | 0.97Å | 0.95Å | |
| C34 | O34 | sing | 1.43Å | 1.42Å | |
| C34 | C44 | sing | 1.53Å | 1.53Å | |
| C34 | H34 | sing | 1.09Å | 1.12Å | |
| O34 | HO34 | sing | 0.97Å | 0.95Å | |
| C44 | C54 | sing | 1.53Å | 1.53Å | |
| C44 | S15 | sing | 1.81Å | 1.81Å | |
| C44 | H44 | sing | 1.09Å | 1.11Å | |
| C54 | O54 | sing | 1.43Å | 1.44Å | |
| C54 | C64 | sing | 1.53Å | 1.52Å | |
| C54 | H54 | sing | 1.09Å | 1.12Å | |
| C64 | O64 | sing | 1.43Å | 1.42Å | |
| C64 | H641 | sing | 1.09Å | 1.11Å | |
| C64 | H642 | sing | 1.09Å | 1.12Å | |
| O64 | HO64 | sing | 0.97Å | 0.95Å | |
| C15 | S15 | sing | 1.81Å | 1.81Å | |
| C15 | C25 | sing | 1.53Å | 1.52Å | |
| C15 | O55 | sing | 1.43Å | 1.42Å | |
| C15 | H15 | sing | 1.09Å | 1.11Å | |
| C25 | O25 | sing | 1.43Å | 1.42Å | |
| C25 | C35 | sing | 1.53Å | 1.53Å | |
| C25 | H25 | sing | 1.09Å | 1.12Å | |
| O25 | HO25 | sing | 0.97Å | 0.95Å | |
| C35 | O35 | sing | 1.43Å | 1.42Å | |
| C35 | C45 | sing | 1.53Å | 1.52Å | |
| C35 | H35 | sing | 1.09Å | 1.11Å | |
| O35 | HO35 | sing | 0.97Å | 0.95Å | |
| C45 | O45 | sing | 1.43Å | 1.44Å | |
| C45 | C55 | sing | 1.53Å | 1.52Å | |
| C45 | H45 | sing | 1.09Å | 1.12Å | |
| O45 | C16 | sing | 1.43Å | 1.40Å | |
| C55 | O55 | sing | 1.43Å | 1.44Å | |
| C55 | C65 | sing | 1.53Å | 1.53Å | |
| C55 | H55 | sing | 1.09Å | 1.12Å | |
| C65 | O65 | sing | 1.43Å | 1.42Å | |
| C65 | H651 | sing | 1.09Å | 1.12Å | |
| C65 | H652 | sing | 1.09Å | 1.12Å | |
| O65 | HO65 | sing | 0.97Å | 0.95Å | |
| C16 | C26 | sing | 1.53Å | 1.52Å | |
| C16 | O56 | sing | 1.43Å | 1.42Å | |
| C16 | H16 | sing | 1.09Å | 1.11Å | |
| C26 | O26 | sing | 1.43Å | 1.42Å | |
| C26 | C36 | sing | 1.53Å | 1.52Å | |
| C26 | H26 | sing | 1.09Å | 1.11Å | |
| O26 | HO26 | sing | 0.97Å | 0.95Å | |
| C36 | O36 | sing | 1.43Å | 1.42Å | |
| C36 | C46 | sing | 1.53Å | 1.53Å | |
| C36 | H36 | sing | 1.09Å | 1.11Å | |
| O36 | HO36 | sing | 0.97Å | 0.95Å | |
| C46 | C56 | sing | 1.53Å | 1.53Å | |
| C46 | S17 | sing | 1.81Å | 1.81Å | |
| C46 | H46 | sing | 1.09Å | 1.12Å | |
| C56 | O56 | sing | 1.43Å | 1.44Å | |
| C56 | C66 | sing | 1.53Å | 1.52Å | |
| C56 | H56 | sing | 1.09Å | 1.11Å | |
| C66 | O66 | sing | 1.43Å | 1.42Å | |
| C66 | H661 | sing | 1.09Å | 1.12Å | |
| C66 | H662 | sing | 1.09Å | 1.12Å | |
| O66 | HO66 | sing | 0.97Å | 0.95Å | |
| C17 | S17 | sing | 1.81Å | 1.83Å | |
| C17 | C27 | sing | 1.53Å | 1.53Å | |
| C17 | O57 | sing | 1.43Å | 1.42Å | |
| C17 | H17 | sing | 1.09Å | 1.12Å | |
| C27 | O27 | sing | 1.43Å | 1.42Å | |
| C27 | C37 | sing | 1.53Å | 1.53Å | |
| C27 | H27 | sing | 1.09Å | 1.12Å | |
| O27 | HO27 | sing | 0.97Å | 0.95Å | |
| C37 | O37 | sing | 1.43Å | 1.42Å | |
| C37 | C47 | sing | 1.53Å | 1.53Å | |
| C37 | H37 | sing | 1.09Å | 1.11Å | |
| O37 | HO37 | sing | 0.97Å | 0.95Å | |
| C47 | O47 | sing | 1.43Å | 1.42Å | |
| C47 | C57 | sing | 1.53Å | 1.53Å | |
| C47 | H47 | sing | 1.09Å | 1.12Å | |
| O47 | HO47 | sing | 0.97Å | 0.95Å | |
| C57 | O57 | sing | 1.43Å | 1.44Å | |
| C57 | C67 | sing | 1.53Å | 1.53Å | |
| C57 | H57 | sing | 1.09Å | 1.11Å | |
| C67 | O67 | sing | 1.43Å | 1.42Å | |
| C67 | H671 | sing | 1.09Å | 1.11Å | |
| C67 | H672 | sing | 1.09Å | 1.12Å | |
| O67 | HO67 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | O41 | HO41 | 109.9° | 106.8° |
| O41 | C12 | C22 | 109.9° | 109.4° |
| O41 | C12 | O52 | 112.3° | 109.4° |
| O41 | C12 | H12 | 107.2° | 109.4° |
| C22 | C12 | O52 | 109.3° | 109.8° |
| C22 | C12 | H12 | 110.3° | 109.4° |
| C12 | C22 | O22 | 109.5° | 109.5° |
| C12 | C22 | C32 | 110.2° | 109.1° |
| C12 | C22 | H22 | 108.9° | 109.5° |
| O52 | C12 | H12 | 107.8° | 109.4° |
| C12 | O52 | C52 | 114.0° | 107.6° |
| O22 | C22 | C32 | 109.5° | 109.7° |
| O22 | C22 | H22 | 109.7° | 109.5° |
| C22 | O22 | HO22 | 109.6° | 106.9° |
| C32 | C22 | H22 | 109.0° | 109.5° |
| C22 | C32 | O32 | 109.4° | 109.6° |
| C22 | C32 | C42 | 112.1° | 108.7° |
| C22 | C32 | H32 | 107.6° | 109.6° |
| O32 | C32 | C42 | 109.2° | 109.9° |
| O32 | C32 | H32 | 110.6° | 109.5° |
| C32 | O32 | HO32 | 109.4° | 106.8° |
| C42 | C32 | H32 | 107.9° | 109.5° |
| C32 | C42 | C52 | 111.8° | 109.1° |
| C32 | C42 | S13 | 104.8° | 109.5° |
| C32 | C42 | H42 | 109.4° | 109.5° |
| C52 | C42 | S13 | 103.8° | 109.6° |
| C52 | C42 | H42 | 110.2° | 109.6° |
| C42 | C52 | O52 | 111.0° | 109.8° |
| C42 | C52 | C62 | 112.2° | 109.4° |
| C42 | C52 | H52 | 105.8° | 109.4° |
| S13 | C42 | H42 | 116.7° | 109.5° |
| C42 | S13 | C13 | 103.8° | 100.0° |
| O52 | C52 | C62 | 106.8° | 109.4° |
| O52 | C52 | H52 | 111.1° | 109.4° |
| C62 | C52 | H52 | 110.0° | 109.4° |
| C52 | C62 | O62 | 111.0° | 109.5° |
| C52 | C62 | H621 | 111.6° | 109.5° |
| C52 | C62 | H622 | 111.6° | 109.5° |
| O62 | C62 | H621 | 111.7° | 109.5° |
| O62 | C62 | H622 | 111.7° | 109.5° |
| C62 | O62 | HO62 | 111.0° | 106.8° |
| H621 | C62 | H622 | 98.7° | 109.4° |
| S13 | C13 | C23 | 111.9° | 109.3° |
| S13 | C13 | O53 | 113.1° | 109.4° |
| S13 | C13 | H13 | 105.1° | 109.4° |
| C23 | C13 | O53 | 109.4° | 109.8° |
| C23 | C13 | H13 | 109.3° | 109.4° |
| C13 | C23 | O23 | 109.6° | 109.6° |
| C13 | C23 | C33 | 109.5° | 109.0° |
| C13 | C23 | H23 | 109.4° | 109.6° |
| O53 | C13 | H13 | 107.8° | 109.5° |
| C13 | O53 | C53 | 114.6° | 107.6° |
| O23 | C23 | C33 | 109.6° | 109.6° |
| O23 | C23 | H23 | 109.3° | 109.6° |
| C23 | O23 | HO23 | 109.6° | 106.8° |
| C33 | C23 | H23 | 109.4° | 109.5° |
| C23 | C33 | O33 | 109.7° | 109.6° |
| C23 | C33 | C43 | 109.9° | 108.6° |
| C23 | C33 | H33 | 109.1° | 109.6° |
| O33 | C33 | C43 | 109.7° | 109.8° |
| O33 | C33 | H33 | 109.3° | 109.6° |
| C33 | O33 | HO33 | 109.6° | 106.8° |
| C43 | C33 | H33 | 109.1° | 109.7° |
| C33 | C43 | O43 | 110.0° | 109.5° |
| C33 | C43 | C53 | 109.9° | 109.1° |
| C33 | C43 | H43 | 109.1° | 109.5° |
| O43 | C43 | C53 | 110.2° | 109.6° |
| O43 | C43 | H43 | 108.8° | 109.6° |
| C43 | O43 | C14 | 115.6° | 106.8° |
| C53 | C43 | H43 | 108.9° | 109.5° |
| C43 | C53 | O53 | 110.1° | 109.8° |
| C43 | C53 | C63 | 109.3° | 109.4° |
| C43 | C53 | H53 | 109.1° | 109.4° |
| O43 | C14 | C24 | 110.7° | 109.4° |
| O43 | C14 | O54 | 112.3° | 109.4° |
| O43 | C14 | H14 | 106.5° | 109.4° |
| O53 | C53 | C63 | 109.1° | 109.4° |
| O53 | C53 | H53 | 109.2° | 109.4° |
| C63 | C53 | H53 | 110.1° | 109.5° |
| C53 | C63 | O63 | 109.5° | 109.5° |
| C53 | C63 | H631 | 112.2° | 109.5° |
| C53 | C63 | H632 | 112.2° | 109.5° |
| O63 | C63 | H631 | 112.3° | 109.5° |
| O63 | C63 | H632 | 112.2° | 109.5° |
| C63 | O63 | HO63 | 109.4° | 106.8° |
| H631 | C63 | H632 | 98.2° | 109.5° |
| C24 | C14 | O54 | 109.2° | 109.8° |
| C24 | C14 | H14 | 109.9° | 109.4° |
| C14 | C24 | O24 | 109.9° | 109.6° |
| C14 | C24 | C34 | 110.7° | 109.1° |
| C14 | C24 | H24 | 108.1° | 109.6° |
| O54 | C14 | H14 | 108.1° | 109.4° |
| C14 | O54 | C54 | 114.2° | 107.6° |
| O24 | C24 | C34 | 108.8° | 109.6° |
| O24 | C24 | H24 | 110.1° | 109.6° |
| C24 | O24 | HO24 | 109.9° | 106.8° |
| C34 | C24 | H24 | 109.2° | 109.4° |
| C24 | C34 | O34 | 110.0° | 109.6° |
| C24 | C34 | C44 | 112.4° | 108.7° |
| C24 | C34 | H34 | 107.0° | 109.6° |
| O34 | C34 | C44 | 109.2° | 109.9° |
| O34 | C34 | H34 | 110.4° | 109.6° |
| C34 | O34 | HO34 | 110.0° | 106.8° |
| C44 | C34 | H34 | 107.8° | 109.5° |
| C34 | C44 | C54 | 110.7° | 109.1° |
| C34 | C44 | S15 | 98.9° | 109.6° |
| C34 | C44 | H44 | 114.7° | 109.5° |
| C54 | C44 | S15 | 107.2° | 109.6° |
| C54 | C44 | H44 | 107.2° | 109.6° |
| C44 | C54 | O54 | 110.6° | 109.8° |
| C44 | C54 | C64 | 112.7° | 109.4° |
| C44 | C54 | H54 | 105.8° | 109.4° |
| S15 | C44 | H44 | 117.7° | 109.5° |
| C44 | S15 | C15 | 105.4° | 100.0° |
| O54 | C54 | C64 | 107.2° | 109.4° |
| O54 | C54 | H54 | 111.5° | 109.4° |
| C64 | C54 | H54 | 109.1° | 109.4° |
| C54 | C64 | O64 | 111.6° | 109.4° |
| C54 | C64 | H641 | 111.4° | 109.5° |
| C54 | C64 | H642 | 111.4° | 109.4° |
| O64 | C64 | H641 | 111.5° | 109.5° |
| O64 | C64 | H642 | 111.4° | 109.5° |
| C64 | O64 | HO64 | 111.5° | 106.8° |
| H641 | C64 | H642 | 98.9° | 109.5° |
| S15 | C15 | C25 | 110.6° | 109.4° |
| S15 | C15 | O55 | 113.7° | 109.4° |
| S15 | C15 | H15 | 105.9° | 109.4° |
| C25 | C15 | O55 | 109.9° | 109.8° |
| C25 | C15 | H15 | 110.0° | 109.4° |
| C15 | C25 | O25 | 109.0° | 109.6° |
| C15 | C25 | C35 | 109.4° | 109.1° |
| C15 | C25 | H25 | 109.9° | 109.6° |
| O55 | C15 | H15 | 106.5° | 109.5° |
| C15 | O55 | C55 | 114.0° | 107.6° |
| O25 | C25 | C35 | 109.6° | 109.6° |
| O25 | C25 | H25 | 109.7° | 109.5° |
| C25 | O25 | HO25 | 108.9° | 106.8° |
| C35 | C25 | H25 | 109.2° | 109.5° |
| C25 | C35 | O35 | 109.8° | 109.6° |
| C25 | C35 | C45 | 108.4° | 108.6° |
| C25 | C35 | H35 | 110.2° | 109.6° |
| O35 | C35 | C45 | 110.2° | 109.7° |
| O35 | C35 | H35 | 108.4° | 109.6° |
| C35 | O35 | HO35 | 109.8° | 106.8° |
| C45 | C35 | H35 | 109.8° | 109.7° |
| C35 | C45 | O45 | 111.0° | 109.5° |
| C35 | C45 | C55 | 108.8° | 109.1° |
| C35 | C45 | H45 | 109.4° | 109.5° |
| O45 | C45 | C55 | 110.8° | 109.6° |
| O45 | C45 | H45 | 107.3° | 109.5° |
| C45 | O45 | C16 | 112.5° | 106.8° |
| C55 | C45 | H45 | 109.6° | 109.6° |
| C45 | C55 | O55 | 108.9° | 109.8° |
| C45 | C55 | C65 | 111.5° | 109.4° |
| C45 | C55 | H55 | 108.7° | 109.4° |
| O45 | C16 | C26 | 110.9° | 109.4° |
| O45 | C16 | O56 | 113.1° | 109.4° |
| O45 | C16 | H16 | 106.3° | 109.4° |
| O55 | C55 | C65 | 110.2° | 109.4° |
| O55 | C55 | H55 | 110.1° | 109.4° |
| C65 | C55 | H55 | 107.4° | 109.4° |
| C55 | C65 | O65 | 109.8° | 109.5° |
| C55 | C65 | H651 | 112.1° | 109.5° |
| C55 | C65 | H652 | 112.1° | 109.5° |
| O65 | C65 | H651 | 112.1° | 109.4° |
| O65 | C65 | H652 | 112.1° | 109.5° |
| C65 | O65 | HO65 | 109.8° | 106.9° |
| H651 | C65 | H652 | 98.3° | 109.4° |
| C26 | C16 | O56 | 110.4° | 109.8° |
| C26 | C16 | H16 | 109.2° | 109.4° |
| C16 | C26 | O26 | 109.2° | 109.5° |
| C16 | C26 | C36 | 110.7° | 109.1° |
| C16 | C26 | H26 | 108.8° | 109.5° |
| O56 | C16 | H16 | 106.7° | 109.4° |
| C16 | O56 | C56 | 114.2° | 107.6° |
| O26 | C26 | C36 | 109.5° | 109.7° |
| O26 | C26 | H26 | 110.1° | 109.6° |
| C26 | O26 | HO26 | 109.2° | 106.8° |
| C36 | C26 | H26 | 108.5° | 109.5° |
| C26 | C36 | O36 | 109.2° | 109.6° |
| C26 | C36 | C46 | 111.2° | 108.7° |
| C26 | C36 | H36 | 108.6° | 109.6° |
| O36 | C36 | C46 | 109.6° | 109.9° |
| O36 | C36 | H36 | 110.1° | 109.7° |
| C36 | O36 | HO36 | 109.2° | 106.8° |
| C46 | C36 | H36 | 108.1° | 109.5° |
| C36 | C46 | C56 | 110.0° | 109.1° |
| C36 | C46 | S17 | 105.4° | 109.5° |
| C36 | C46 | H46 | 110.4° | 109.5° |
| C56 | C46 | S17 | 105.0° | 109.6° |
| C56 | C46 | H46 | 110.8° | 109.6° |
| C46 | C56 | O56 | 110.1° | 109.9° |
| C46 | C56 | C66 | 112.8° | 109.4° |
| C46 | C56 | H56 | 106.1° | 109.4° |
| S17 | C46 | H46 | 114.9° | 109.5° |
| C46 | S17 | C17 | 104.0° | 100.1° |
| O56 | C56 | C66 | 107.5° | 109.3° |
| O56 | C56 | H56 | 111.6° | 109.4° |
| C66 | C56 | H56 | 108.8° | 109.4° |
| C56 | C66 | O66 | 111.8° | 109.5° |
| C56 | C66 | H661 | 111.4° | 109.5° |
| C56 | C66 | H662 | 111.3° | 109.5° |
| O66 | C66 | H661 | 111.4° | 109.5° |
| O66 | C66 | H662 | 111.3° | 109.4° |
| C66 | O66 | HO66 | 111.8° | 106.8° |
| H661 | C66 | H662 | 99.0° | 109.5° |
| S17 | C17 | C27 | 111.7° | 109.4° |
| S17 | C17 | O57 | 111.8° | 109.4° |
| S17 | C17 | H17 | 105.9° | 109.4° |
| C27 | C17 | O57 | 108.0° | 109.8° |
| C27 | C17 | H17 | 109.8° | 109.4° |
| C17 | C27 | O27 | 110.1° | 109.5° |
| C17 | C27 | C37 | 108.6° | 109.0° |
| C17 | C27 | H27 | 109.7° | 109.5° |
| O57 | C17 | H17 | 109.6° | 109.4° |
| C17 | O57 | C57 | 112.8° | 107.6° |
| O27 | C27 | C37 | 110.0° | 109.6° |
| O27 | C27 | H27 | 108.4° | 109.6° |
| C27 | O27 | HO27 | 110.1° | 106.8° |
| C37 | C27 | H27 | 109.9° | 109.5° |
| C27 | C37 | O37 | 109.9° | 109.6° |
| C27 | C37 | C47 | 110.4° | 108.6° |
| C27 | C37 | H37 | 108.7° | 109.6° |
| O37 | C37 | C47 | 109.7° | 109.9° |
| O37 | C37 | H37 | 109.3° | 109.6° |
| C37 | O37 | HO37 | 109.9° | 106.9° |
| C47 | C37 | H37 | 108.8° | 109.6° |
| C37 | C47 | O47 | 109.6° | 109.6° |
| C37 | C47 | C57 | 110.5° | 109.1° |
| C37 | C47 | H47 | 108.7° | 109.6° |
| O47 | C47 | C57 | 109.4° | 109.6° |
| O47 | C47 | H47 | 109.8° | 109.5° |
| C47 | O47 | HO47 | 109.6° | 106.8° |
| C57 | C47 | H47 | 108.8° | 109.5° |
| C47 | C57 | O57 | 109.6° | 109.7° |
| C47 | C57 | C67 | 111.0° | 109.4° |
| C47 | C57 | H57 | 108.6° | 109.4° |
| O57 | C57 | C67 | 110.2° | 109.4° |
| O57 | C57 | H57 | 109.4° | 109.4° |
| C67 | C57 | H57 | 107.9° | 109.4° |
| C57 | C67 | O67 | 109.9° | 109.5° |
| C57 | C67 | H671 | 112.1° | 109.4° |
| C57 | C67 | H672 | 112.0° | 109.5° |
| O67 | C67 | H671 | 112.0° | 109.5° |
| O67 | C67 | H672 | 112.0° | 109.5° |
| C67 | O67 | HO67 | 110.0° | 106.8° |
| H671 | C67 | H672 | 98.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O41 | C12 | C22 | O52 | 123.7° | 120.1° |
| O41 | C12 | C22 | H12 | 118.0° | 119.8° |
| O41 | C12 | O52 | H12 | 117.8° | 119.8° |
| O41 | C12 | C22 | O22 | 54.9° | 61.2° |
| O41 | C12 | C22 | C32 | 65.6° | 58.9° |
| O41 | C12 | C22 | H22 | 174.8° | 178.7° |
| O41 | C12 | O52 | C52 | 58.4° | 52.5° |
| HO41 | O41 | C12 | C22 | 180.0° | 179.7° |
| HO41 | O41 | C12 | O52 | 58.1° | 60.0° |
| HO41 | O41 | C12 | H12 | 60.1° | 59.8° |
| C22 | C12 | O52 | H12 | 119.9° | 120.1° |
| C12 | C22 | O22 | C32 | 121.0° | 119.7° |
| C12 | C22 | O22 | H22 | 119.5° | 120.1° |
| C12 | C22 | C32 | H22 | 119.5° | 119.8° |
| C12 | C22 | O22 | HO22 | 180.0° | 59.9° |
| C12 | C22 | C32 | O32 | 172.0° | 173.7° |
| C12 | C22 | C32 | C42 | 50.7° | 53.6° |
| C12 | C22 | C32 | H32 | 67.8° | 66.1° |
| C22 | C12 | O52 | C52 | 63.9° | 67.6° |
| O52 | C12 | C22 | O22 | 178.5° | 178.8° |
| O52 | C12 | C22 | C32 | 58.0° | 61.2° |
| O52 | C12 | C22 | H22 | 61.5° | 58.6° |
| C12 | O52 | C52 | C42 | 59.3° | 67.6° |
| C12 | O52 | C52 | C62 | 178.1° | 172.3° |
| C12 | O52 | C52 | H52 | 58.2° | 52.5° |
| H12 | C12 | C22 | O22 | 63.1° | 58.6° |
| H12 | C12 | C22 | C32 | 176.4° | 178.7° |
| H12 | C12 | C22 | H22 | 56.8° | 61.5° |
| H12 | C12 | O52 | C52 | 176.2° | 172.3° |
| O22 | C22 | C32 | H22 | 120.0° | 120.2° |
| O22 | C22 | C32 | O32 | 67.5° | 66.4° |
| O22 | C22 | C32 | C42 | 171.2° | 173.5° |
| O22 | C22 | C32 | H32 | 52.7° | 53.9° |
| C32 | C22 | O22 | HO22 | 59.0° | 179.6° |
| C22 | C32 | O32 | C42 | 123.0° | 119.4° |
| C22 | C32 | O32 | H32 | 118.4° | 120.3° |
| C22 | C32 | C42 | H32 | 118.3° | 119.7° |
| C22 | C32 | O32 | HO32 | 180.0° | 59.9° |
| C22 | C32 | C42 | C52 | 46.3° | 53.6° |
| C22 | C32 | C42 | S13 | 158.1° | 173.5° |
| C22 | C32 | C42 | H42 | 76.0° | 66.3° |
| H22 | C22 | O22 | HO22 | 60.5° | 60.2° |
| H22 | C22 | C32 | O32 | 52.5° | 53.8° |
| H22 | C22 | C32 | C42 | 68.8° | 66.3° |
| H22 | C22 | C32 | H32 | 172.7° | 174.1° |
| O32 | C32 | C42 | H32 | 120.3° | 120.3° |
| O32 | C32 | C42 | C52 | 167.8° | 173.5° |
| O32 | C32 | C42 | S13 | 80.4° | 66.6° |
| O32 | C32 | C42 | H42 | 45.4° | 53.6° |
| C42 | C32 | O32 | HO32 | 57.0° | 179.3° |
| C32 | C42 | C52 | S13 | 112.4° | 119.9° |
| C32 | C42 | C52 | H42 | 121.9° | 119.9° |
| C32 | C42 | S13 | H42 | 121.1° | 120.1° |
| C32 | C42 | C52 | O52 | 48.8° | 61.2° |
| C32 | C42 | C52 | C62 | 168.2° | 178.8° |
| C32 | C42 | C52 | H52 | 71.9° | 58.9° |
| C32 | C42 | S13 | C13 | 109.5° | 75.0° |
| H32 | C32 | O32 | HO32 | 61.6° | 60.4° |
| H32 | C32 | C42 | C52 | 72.0° | 66.2° |
| H32 | C32 | C42 | S13 | 39.8° | 53.8° |
| H32 | C32 | C42 | H42 | 165.7° | 173.9° |
| C52 | C42 | S13 | H42 | 121.5° | 120.2° |
| C42 | C52 | O52 | C62 | 122.6° | 120.1° |
| C42 | C52 | O52 | H52 | 117.4° | 120.1° |
| C42 | C52 | C62 | H52 | 117.4° | 119.8° |
| C42 | C52 | C62 | O62 | 52.0° | 180.0° |
| C42 | C52 | C62 | H621 | 73.3° | 60.0° |
| C42 | C52 | C62 | H622 | 177.2° | 60.0° |
| C52 | C42 | S13 | C13 | 133.1° | 165.4° |
| S13 | C42 | C52 | O52 | 161.2° | 178.9° |
| S13 | C42 | C52 | C62 | 79.3° | 58.9° |
| S13 | C42 | C52 | H52 | 40.6° | 61.0° |
| C42 | S13 | C13 | C23 | 126.9° | 177.2° |
| C42 | S13 | C13 | O53 | 109.0° | 62.5° |
| C42 | S13 | C13 | H13 | 8.4° | 57.4° |
| H42 | C42 | C52 | O52 | 73.1° | 58.7° |
| H42 | C42 | C52 | C62 | 46.4° | 61.3° |
| H42 | C42 | C52 | H52 | 166.3° | 178.8° |
| H42 | C42 | S13 | C13 | 11.6° | 45.1° |
| O52 | C52 | C62 | H52 | 120.7° | 119.8° |
| O52 | C52 | C62 | O62 | 173.8° | 59.7° |
| O52 | C52 | C62 | H621 | 48.5° | 179.7° |
| O52 | C52 | C62 | H622 | 60.9° | 60.3° |
| C52 | C62 | O62 | H621 | 125.3° | 120.0° |
| C52 | C62 | O62 | H622 | 125.2° | 120.0° |
| C52 | C62 | H621 | H622 | 117.5° | 120.0° |
| C52 | C62 | O62 | HO62 | 180.0° | 180.0° |
| H52 | C52 | C62 | O62 | 65.5° | 60.1° |
| H52 | C52 | C62 | H621 | 169.2° | 59.9° |
| H52 | C52 | C62 | H622 | 59.8° | 179.8° |
| O62 | C62 | H621 | H622 | 117.6° | 120.0° |
| H621 | C62 | O62 | HO62 | 54.8° | 60.0° |
| H622 | C62 | O62 | HO62 | 54.7° | 60.0° |
| S13 | C13 | C23 | O53 | 126.2° | 120.1° |
| S13 | C13 | C23 | H13 | 116.0° | 119.8° |
| S13 | C13 | O53 | H13 | 115.8° | 119.9° |
| S13 | C13 | C23 | O23 | 52.5° | 61.4° |
| S13 | C13 | C23 | C33 | 67.7° | 178.7° |
| S13 | C13 | C23 | H23 | 172.4° | 58.8° |
| S13 | C13 | O53 | C53 | 64.3° | 172.4° |
| C23 | C13 | O53 | H13 | 118.8° | 120.1° |
| C13 | C23 | O23 | C33 | 120.2° | 119.6° |
| C13 | C23 | O23 | H23 | 119.9° | 120.2° |
| C13 | C23 | C33 | H23 | 119.9° | 119.9° |
| C13 | C23 | O23 | HO23 | 179.9° | 60.0° |
| C13 | C23 | C33 | O33 | 177.1° | 66.2° |
| C13 | C23 | C33 | C43 | 56.4° | 53.7° |
| C13 | C23 | C33 | H33 | 63.2° | 173.4° |
| C23 | C13 | O53 | C53 | 61.2° | 67.6° |
| O53 | C13 | C23 | O23 | 178.7° | 58.7° |
| O53 | C13 | C23 | C33 | 58.4° | 61.3° |
| O53 | C13 | C23 | H23 | 61.5° | 178.9° |
| C13 | O53 | C53 | C43 | 59.1° | 67.6° |
| C13 | O53 | C53 | C63 | 179.0° | 52.4° |
| C13 | O53 | C53 | H53 | 60.6° | 172.3° |
| H13 | C13 | C23 | O23 | 63.5° | 178.8° |
| H13 | C13 | C23 | C33 | 176.3° | 58.9° |
| H13 | C13 | C23 | H23 | 56.4° | 61.0° |
| H13 | C13 | O53 | C53 | 179.9° | 52.5° |
| O23 | C23 | C33 | H23 | 119.9° | 120.2° |
| O23 | C23 | C33 | O33 | 62.6° | 173.9° |
| O23 | C23 | C33 | C43 | 176.7° | 66.2° |
| O23 | C23 | C33 | H33 | 57.1° | 53.5° |
| C33 | C23 | O23 | HO23 | 59.8° | 179.6° |
| C23 | C33 | O33 | C43 | 120.8° | 119.2° |
| C23 | C33 | O33 | H33 | 119.6° | 120.3° |
| C23 | C33 | C43 | H33 | 119.6° | 119.7° |
| C23 | C33 | O33 | HO33 | 180.0° | 60.0° |
| C23 | C33 | C43 | O43 | 175.7° | 66.2° |
| C23 | C33 | C43 | C53 | 54.3° | 53.7° |
| C23 | C33 | C43 | H43 | 65.0° | 173.6° |
| H23 | C23 | O23 | HO23 | 60.1° | 60.2° |
| H23 | C23 | C33 | O33 | 57.2° | 53.7° |
| H23 | C23 | C33 | C43 | 63.5° | 173.6° |
| H23 | C23 | C33 | H33 | 176.9° | 66.7° |
| O33 | C33 | C43 | H33 | 119.7° | 120.5° |
| O33 | C33 | C43 | O43 | 63.6° | 174.0° |
| O33 | C33 | C43 | C53 | 175.0° | 66.1° |
| O33 | C33 | C43 | H43 | 55.7° | 53.8° |
| C43 | C33 | O33 | HO33 | 59.2° | 179.1° |
| C33 | C43 | O43 | C53 | 121.3° | 119.6° |
| C33 | C43 | O43 | H43 | 119.4° | 120.2° |
| C33 | C43 | C53 | H43 | 119.4° | 119.8° |
| C33 | C43 | O43 | C14 | 134.2° | 90.2° |
| C33 | C43 | C53 | O53 | 53.9° | 61.3° |
| C33 | C43 | C53 | C63 | 173.7° | 58.7° |
| C33 | C43 | C53 | H53 | 65.9° | 178.6° |
| H33 | C33 | O33 | HO33 | 60.4° | 60.4° |
| H33 | C33 | C43 | O43 | 56.1° | 53.5° |
| H33 | C33 | C43 | C53 | 65.3° | 173.4° |
| H33 | C33 | C43 | H43 | 175.4° | 66.7° |
| O43 | C43 | C53 | H43 | 119.3° | 120.3° |
| O43 | C43 | C53 | O53 | 175.2° | 58.6° |
| O43 | C43 | C53 | C63 | 64.9° | 178.6° |
| O43 | C43 | C53 | H53 | 55.4° | 61.5° |
| C43 | O43 | C14 | C24 | 77.5° | 179.7° |
| C43 | O43 | C14 | O54 | 160.1° | 60.0° |
| C43 | O43 | C14 | H14 | 42.0° | 59.9° |
| C53 | C43 | O43 | C14 | 104.5° | 150.2° |
| C43 | C53 | O53 | C63 | 119.9° | 120.1° |
| C43 | C53 | O53 | H53 | 119.7° | 120.0° |
| C43 | C53 | C63 | H53 | 119.7° | 119.8° |
| C43 | C53 | C63 | O63 | 75.4° | 57.6° |
| C43 | C53 | C63 | H631 | 159.3° | 62.4° |
| C43 | C53 | C63 | H632 | 49.9° | 177.6° |
| H43 | C43 | O43 | C14 | 14.8° | 30.0° |
| H43 | C43 | C53 | O53 | 65.5° | 178.8° |
| H43 | C43 | C53 | C63 | 54.3° | 61.1° |
| H43 | C43 | C53 | H53 | 174.7° | 58.8° |
| O43 | C14 | C24 | O54 | 124.2° | 120.1° |
| O43 | C14 | C24 | H14 | 117.4° | 119.8° |
| O43 | C14 | O54 | H14 | 117.2° | 119.9° |
| O43 | C14 | C24 | O24 | 52.0° | 61.1° |
| O43 | C14 | C24 | C34 | 68.3° | 58.9° |
| O43 | C14 | C24 | H24 | 172.1° | 178.6° |
| O43 | C14 | O54 | C54 | 61.0° | 52.4° |
| O53 | C53 | C63 | H53 | 119.8° | 119.9° |
| O53 | C53 | C63 | O63 | 45.1° | 177.9° |
| O53 | C53 | C63 | H631 | 80.2° | 57.9° |
| O53 | C53 | C63 | H632 | 170.3° | 62.1° |
| C53 | C63 | O63 | H631 | 125.3° | 120.0° |
| C53 | C63 | O63 | H632 | 125.3° | 120.0° |
| C53 | C63 | H631 | H632 | 118.1° | 120.0° |
| C53 | C63 | O63 | HO63 | 180.0° | 180.0° |
| H53 | C53 | C63 | O63 | 164.9° | 62.2° |
| H53 | C53 | C63 | H631 | 39.6° | 177.7° |
| H53 | C53 | C63 | H632 | 69.8° | 57.8° |
| O63 | C63 | H631 | H632 | 118.1° | 120.0° |
| H631 | C63 | O63 | HO63 | 54.7° | 60.0° |
| H632 | C63 | O63 | HO63 | 54.7° | 60.0° |
| C24 | C14 | O54 | H14 | 119.5° | 120.1° |
| C14 | C24 | O24 | C34 | 121.4° | 119.7° |
| C14 | C24 | O24 | H24 | 118.9° | 120.2° |
| C14 | C24 | C34 | H24 | 118.9° | 119.8° |
| C14 | C24 | O24 | HO24 | 180.0° | 60.0° |
| C14 | C24 | C34 | O34 | 172.8° | 173.7° |
| C14 | C24 | C34 | C44 | 50.9° | 53.6° |
| C14 | C24 | C34 | H34 | 67.3° | 66.0° |
| C24 | C14 | O54 | C54 | 62.3° | 67.6° |
| O54 | C14 | C24 | O24 | 176.2° | 178.8° |
| O54 | C14 | C24 | C34 | 55.9° | 61.2° |
| O54 | C14 | C24 | H24 | 63.7° | 58.6° |
| C14 | O54 | C54 | C44 | 60.7° | 67.6° |
| C14 | O54 | C54 | C64 | 176.1° | 172.3° |
| C14 | O54 | C54 | H54 | 56.7° | 52.5° |
| H14 | C14 | C24 | O24 | 65.4° | 58.7° |
| H14 | C14 | C24 | C34 | 174.3° | 178.7° |
| H14 | C14 | C24 | H24 | 54.7° | 61.6° |
| H14 | C14 | O54 | C54 | 178.2° | 172.3° |
| O24 | C24 | C34 | H24 | 120.2° | 120.2° |
| O24 | C24 | C34 | O34 | 66.3° | 66.4° |
| O24 | C24 | C34 | C44 | 171.8° | 173.5° |
| O24 | C24 | C34 | H34 | 53.6° | 54.0° |
| C34 | C24 | O24 | HO24 | 58.5° | 179.6° |
| C24 | C34 | O34 | C44 | 123.8° | 119.4° |
| C24 | C34 | O34 | H34 | 117.8° | 120.3° |
| C24 | C34 | C44 | H34 | 117.7° | 119.6° |
| C24 | C34 | O34 | HO34 | 180.0° | 60.0° |
| C24 | C34 | C44 | C54 | 48.6° | 53.5° |
| C24 | C34 | C44 | S15 | 160.9° | 173.5° |
| C24 | C34 | C44 | H44 | 72.9° | 66.4° |
| H24 | C24 | O24 | HO24 | 61.1° | 60.3° |
| H24 | C24 | C34 | O34 | 53.9° | 53.8° |
| H24 | C24 | C34 | C44 | 68.0° | 66.3° |
| H24 | C24 | C34 | H34 | 173.8° | 174.2° |
| O34 | C34 | C44 | H34 | 120.0° | 120.5° |
| O34 | C34 | C44 | C54 | 171.0° | 173.5° |
| O34 | C34 | C44 | S15 | 76.7° | 66.6° |
| O34 | C34 | C44 | H44 | 49.5° | 53.6° |
| C44 | C34 | O34 | HO34 | 56.2° | 179.3° |
| C34 | C44 | C54 | S15 | 106.9° | 119.9° |
| C34 | C44 | C54 | H44 | 125.8° | 119.9° |
| C34 | C44 | S15 | H44 | 124.1° | 120.1° |
| C34 | C44 | C54 | O54 | 51.5° | 61.2° |
| C34 | C44 | C54 | C64 | 171.5° | 178.8° |
| C34 | C44 | C54 | H54 | 69.3° | 58.9° |
| C34 | C44 | S15 | C15 | 154.7° | 75.1° |
| H34 | C34 | O34 | HO34 | 62.2° | 60.3° |
| H34 | C34 | C44 | C54 | 69.1° | 66.1° |
| H34 | C34 | C44 | S15 | 43.3° | 53.9° |
| H34 | C34 | C44 | H44 | 169.4° | 174.0° |
| C54 | C44 | S15 | H44 | 120.9° | 120.2° |
| C44 | C54 | O54 | C64 | 123.3° | 120.0° |
| C44 | C54 | O54 | H54 | 117.3° | 120.1° |
| C44 | C54 | C64 | H54 | 117.2° | 119.8° |
| C44 | C54 | C64 | O64 | 13.1° | 180.0° |
| C44 | C54 | C64 | H641 | 138.4° | 60.0° |
| C44 | C54 | C64 | H642 | 112.1° | 60.0° |
| C54 | C44 | S15 | C15 | 90.3° | 165.2° |
| S15 | C44 | C54 | O54 | 158.4° | 178.9° |
| S15 | C44 | C54 | C64 | 81.6° | 58.8° |
| S15 | C44 | C54 | H54 | 37.6° | 61.0° |
| C44 | S15 | C15 | C25 | 154.7° | 176.7° |
| C44 | S15 | C15 | O55 | 81.0° | 63.0° |
| C44 | S15 | C15 | H15 | 35.6° | 56.9° |
| H44 | C44 | C54 | O54 | 74.3° | 58.7° |
| H44 | C44 | C54 | C64 | 45.7° | 61.4° |
| H44 | C44 | C54 | H54 | 164.9° | 178.8° |
| H44 | C44 | S15 | C15 | 30.6° | 45.0° |
| O54 | C54 | C64 | H54 | 120.9° | 119.9° |
| O54 | C54 | C64 | O64 | 108.8° | 59.7° |
| O54 | C54 | C64 | H641 | 16.5° | 179.7° |
| O54 | C54 | C64 | H642 | 125.9° | 60.3° |
| C54 | C64 | O64 | H641 | 125.3° | 120.0° |
| C54 | C64 | O64 | H642 | 125.2° | 120.0° |
| C54 | C64 | H641 | H642 | 117.3° | 120.0° |
| C54 | C64 | O64 | HO64 | 180.0° | 179.9° |
| H54 | C54 | C64 | O64 | 130.3° | 60.2° |
| H54 | C54 | C64 | H641 | 104.4° | 59.8° |
| H54 | C54 | C64 | H642 | 5.1° | 179.8° |
| O64 | C64 | H641 | H642 | 117.3° | 120.1° |
| H641 | C64 | O64 | HO64 | 54.7° | 60.1° |
| H642 | C64 | O64 | HO64 | 54.7° | 59.9° |
| S15 | C15 | C25 | O55 | 126.4° | 120.0° |
| S15 | C15 | C25 | H15 | 116.6° | 119.8° |
| S15 | C15 | O55 | H15 | 116.3° | 119.9° |
| S15 | C15 | C25 | O25 | 50.1° | 61.4° |
| S15 | C15 | C25 | C35 | 69.7° | 178.7° |
| S15 | C15 | C25 | H25 | 170.3° | 58.8° |
| S15 | C15 | O55 | C55 | 65.1° | 172.4° |
| C25 | C15 | O55 | H15 | 119.1° | 120.1° |
| C15 | C25 | O25 | C35 | 119.6° | 119.6° |
| C15 | C25 | O25 | H25 | 120.4° | 120.2° |
| C15 | C25 | C35 | H25 | 120.3° | 119.9° |
| C15 | C25 | O25 | HO25 | 180.0° | 60.0° |
| C15 | C25 | C35 | O35 | 178.1° | 66.2° |
| C15 | C25 | C35 | C45 | 57.6° | 53.6° |
| C15 | C25 | C35 | H35 | 62.6° | 173.5° |
| C25 | C15 | O55 | C55 | 59.5° | 67.6° |
| O55 | C15 | C25 | O25 | 176.5° | 58.7° |
| O55 | C15 | C25 | C35 | 56.7° | 61.3° |
| O55 | C15 | C25 | H25 | 63.3° | 178.8° |
| C15 | O55 | C55 | C45 | 61.0° | 67.6° |
| C15 | O55 | C55 | C65 | 176.4° | 52.5° |
| C15 | O55 | C55 | H55 | 58.1° | 172.3° |
| H15 | C15 | C25 | O25 | 66.6° | 178.8° |
| H15 | C15 | C25 | C35 | 173.6° | 58.9° |
| H15 | C15 | C25 | H25 | 53.7° | 61.0° |
| H15 | C15 | O55 | C55 | 178.7° | 52.5° |
| O25 | C25 | C35 | H25 | 120.2° | 120.2° |
| O25 | C25 | C35 | O35 | 62.5° | 173.9° |
| O25 | C25 | C35 | C45 | 177.0° | 66.3° |
| O25 | C25 | C35 | H35 | 56.8° | 53.5° |
| C35 | C25 | O25 | HO25 | 60.3° | 179.6° |
| C25 | C35 | O35 | C45 | 119.4° | 119.1° |
| C25 | C35 | O35 | H35 | 120.5° | 120.4° |
| C25 | C35 | C45 | H35 | 120.5° | 119.8° |
| C25 | C35 | O35 | HO35 | 180.0° | 60.1° |
| C25 | C35 | C45 | O45 | 178.5° | 66.3° |
| C25 | C35 | C45 | C55 | 59.3° | 53.6° |
| C25 | C35 | C45 | H45 | 60.4° | 173.6° |
| H25 | C25 | O25 | HO25 | 59.6° | 60.2° |
| H25 | C25 | C35 | O35 | 57.7° | 53.7° |
| H25 | C25 | C35 | C45 | 62.8° | 173.6° |
| H25 | C25 | C35 | H35 | 177.1° | 66.6° |
| O35 | C35 | C45 | H35 | 119.3° | 120.5° |
| O35 | C35 | C45 | O45 | 58.3° | 174.0° |
| O35 | C35 | C45 | C55 | 179.5° | 66.1° |
| O35 | C35 | C45 | H45 | 59.8° | 53.9° |
| C45 | C35 | O35 | HO35 | 60.6° | 179.2° |
| C35 | C45 | O45 | C55 | 121.0° | 119.6° |
| C35 | C45 | O45 | H45 | 119.4° | 120.2° |
| C35 | C45 | C55 | H45 | 119.5° | 119.9° |
| C35 | C45 | O45 | C16 | 126.9° | 90.2° |
| C35 | C45 | C55 | O55 | 59.6° | 61.3° |
| C35 | C45 | C55 | C65 | 178.6° | 58.8° |
| C35 | C45 | C55 | H55 | 60.4° | 178.6° |
| H35 | C35 | O35 | HO35 | 59.6° | 60.3° |
| H35 | C35 | C45 | O45 | 61.0° | 53.5° |
| H35 | C35 | C45 | C55 | 61.2° | 173.4° |
| H35 | C35 | C45 | H45 | 179.2° | 66.6° |
| O45 | C45 | C55 | H45 | 118.2° | 120.2° |
| O45 | C45 | C55 | O55 | 178.1° | 58.6° |
| O45 | C45 | C55 | C65 | 56.3° | 178.7° |
| O45 | C45 | C55 | H55 | 61.9° | 61.5° |
| C45 | O45 | C16 | C26 | 149.0° | 179.7° |
| C45 | O45 | C16 | O56 | 86.3° | 60.0° |
| C45 | O45 | C16 | H16 | 30.5° | 59.8° |
| C55 | C45 | O45 | C16 | 112.1° | 150.2° |
| C45 | C55 | O55 | C65 | 122.6° | 120.1° |
| C45 | C55 | O55 | H55 | 119.1° | 120.1° |
| C45 | C55 | C65 | H55 | 119.0° | 119.8° |
| C45 | C55 | C65 | O65 | 60.6° | 57.8° |
| C45 | C55 | C65 | H651 | 174.1° | 62.2° |
| C45 | C55 | C65 | H652 | 64.7° | 177.8° |
| H45 | C45 | O45 | C16 | 7.4° | 30.0° |
| H45 | C45 | C55 | O55 | 59.9° | 178.8° |
| H45 | C45 | C55 | C65 | 61.9° | 61.1° |
| H45 | C45 | C55 | H55 | 179.9° | 58.7° |
| O45 | C16 | C26 | O56 | 126.2° | 120.0° |
| O45 | C16 | C26 | H16 | 116.8° | 119.9° |
| O45 | C16 | O56 | H16 | 116.6° | 119.8° |
| O45 | C16 | C26 | O26 | 49.1° | 61.2° |
| O45 | C16 | C26 | C36 | 71.5° | 58.9° |
| O45 | C16 | C26 | H26 | 169.3° | 178.7° |
| O45 | C16 | O56 | C56 | 64.8° | 52.5° |
| O55 | C55 | C65 | H55 | 119.9° | 119.8° |
| O55 | C55 | C65 | O65 | 60.4° | 178.1° |
| O55 | C55 | C65 | H651 | 64.9° | 58.1° |
| O55 | C55 | C65 | H652 | 174.3° | 61.9° |
| C55 | C65 | O65 | H651 | 125.3° | 120.0° |
| C55 | C65 | O65 | H652 | 125.3° | 120.1° |
| C55 | C65 | H651 | H652 | 118.0° | 120.0° |
| C55 | C65 | O65 | HO65 | 180.0° | 179.9° |
| H55 | C55 | C65 | O65 | 179.6° | 62.1° |
| H55 | C55 | C65 | H651 | 55.1° | 177.9° |
| H55 | C55 | C65 | H652 | 54.4° | 57.9° |
| O65 | C65 | H651 | H652 | 118.0° | 119.9° |
| H651 | C65 | O65 | HO65 | 54.7° | 59.9° |
| H652 | C65 | O65 | HO65 | 54.7° | 60.0° |
| C26 | C16 | O56 | H16 | 118.5° | 120.1° |
| C16 | C26 | O26 | C36 | 121.4° | 119.7° |
| C16 | C26 | O26 | H26 | 119.4° | 120.1° |
| C16 | C26 | C36 | H26 | 119.4° | 119.8° |
| C16 | C26 | O26 | HO26 | 180.0° | 60.0° |
| C16 | C26 | C36 | O36 | 173.3° | 173.6° |
| C16 | C26 | C36 | C46 | 52.2° | 53.6° |
| C16 | C26 | C36 | H36 | 66.6° | 66.0° |
| C26 | C16 | O56 | C56 | 60.1° | 67.5° |
| O56 | C16 | C26 | O26 | 175.3° | 178.8° |
| O56 | C16 | C26 | C36 | 54.7° | 61.2° |
| O56 | C16 | C26 | H26 | 64.5° | 58.6° |
| C16 | O56 | C56 | C46 | 60.3° | 67.6° |
| C16 | O56 | C56 | C66 | 176.5° | 172.4° |
| C16 | O56 | C56 | H56 | 57.3° | 52.6° |
| H16 | C16 | C26 | O26 | 67.7° | 58.7° |
| H16 | C16 | C26 | C36 | 171.7° | 178.7° |
| H16 | C16 | C26 | H26 | 52.5° | 61.5° |
| H16 | C16 | O56 | C56 | 178.6° | 172.3° |
| O26 | C26 | C36 | H26 | 120.2° | 120.3° |
| O26 | C26 | C36 | O36 | 66.3° | 66.4° |
| O26 | C26 | C36 | C46 | 172.7° | 173.5° |
| O26 | C26 | C36 | H36 | 53.8° | 53.9° |
| C36 | C26 | O26 | HO26 | 58.6° | 179.7° |
| C26 | C36 | O36 | C46 | 122.0° | 119.3° |
| C26 | C36 | O36 | H36 | 119.2° | 120.3° |
| C26 | C36 | C46 | H36 | 119.1° | 119.7° |
| C26 | C36 | O36 | HO36 | 180.0° | 60.0° |
| C26 | C36 | C46 | C56 | 52.2° | 53.6° |
| C26 | C36 | C46 | S17 | 164.9° | 173.5° |
| C26 | C36 | C46 | H46 | 70.4° | 66.3° |
| H26 | C26 | O26 | HO26 | 60.6° | 60.1° |
| H26 | C26 | C36 | O36 | 53.9° | 53.8° |
| H26 | C26 | C36 | C46 | 67.2° | 66.2° |
| H26 | C26 | C36 | H36 | 174.0° | 174.2° |
| O36 | C36 | C46 | H36 | 120.1° | 120.5° |
| O36 | C36 | C46 | C56 | 173.0° | 173.4° |
| O36 | C36 | C46 | S17 | 74.3° | 66.6° |
| O36 | C36 | C46 | H46 | 50.4° | 53.5° |
| C46 | C36 | O36 | HO36 | 58.0° | 179.3° |
| C36 | C46 | C56 | S17 | 113.0° | 119.9° |
| C36 | C46 | C56 | H46 | 122.3° | 119.9° |
| C36 | C46 | S17 | H46 | 121.8° | 120.1° |
| C36 | C46 | C56 | O56 | 54.6° | 61.2° |
| C36 | C46 | C56 | C66 | 174.7° | 178.7° |
| C36 | C46 | C56 | H56 | 66.2° | 58.9° |
| C36 | C46 | S17 | C17 | 120.0° | 75.1° |
| H36 | C36 | O36 | HO36 | 60.9° | 60.3° |
| H36 | C36 | C46 | C56 | 66.9° | 66.1° |
| H36 | C36 | C46 | S17 | 45.8° | 53.8° |
| H36 | C36 | C46 | H46 | 170.5° | 174.0° |
| C56 | C46 | S17 | H46 | 122.0° | 120.3° |
| C46 | C56 | O56 | C66 | 123.2° | 120.0° |
| C46 | C56 | O56 | H56 | 117.5° | 120.2° |
| C46 | C56 | C66 | H56 | 117.5° | 119.8° |
| C46 | C56 | C66 | O66 | 142.6° | 180.0° |
| C46 | C56 | C66 | H661 | 92.1° | 60.0° |
| C46 | C56 | C66 | H662 | 17.3° | 60.1° |
| C56 | C46 | S17 | C17 | 123.8° | 165.2° |
| S17 | C46 | C56 | O56 | 167.6° | 178.9° |
| S17 | C46 | C56 | C66 | 72.3° | 58.8° |
| S17 | C46 | C56 | H56 | 46.8° | 61.0° |
| C46 | S17 | C17 | C27 | 100.2° | 176.8° |
| C46 | S17 | C17 | O57 | 138.6° | 62.9° |
| C46 | S17 | C17 | H17 | 19.2° | 57.0° |
| H46 | C46 | C56 | O56 | 67.7° | 58.6° |
| H46 | C46 | C56 | C66 | 52.3° | 61.4° |
| H46 | C46 | C56 | H56 | 171.4° | 178.8° |
| H46 | C46 | S17 | C17 | 1.8° | 45.0° |
| O56 | C56 | C66 | H56 | 121.0° | 119.8° |
| O56 | C56 | C66 | O66 | 21.0° | 59.7° |
| O56 | C56 | C66 | H661 | 146.3° | 179.7° |
| O56 | C56 | C66 | H662 | 104.2° | 60.3° |
| C56 | C66 | O66 | H661 | 125.3° | 120.0° |
| C56 | C66 | O66 | H662 | 125.3° | 120.0° |
| C56 | C66 | H661 | H662 | 117.2° | 120.0° |
| C56 | C66 | O66 | HO66 | 179.9° | 180.0° |
| H56 | C56 | C66 | O66 | 100.0° | 60.1° |
| H56 | C56 | C66 | H661 | 25.4° | 59.9° |
| H56 | C56 | C66 | H662 | 134.8° | 179.9° |
| O66 | C66 | H661 | H662 | 117.2° | 120.0° |
| H661 | C66 | O66 | HO66 | 54.8° | 60.0° |
| H662 | C66 | O66 | HO66 | 54.7° | 60.0° |
| S17 | C17 | C27 | O57 | 123.3° | 120.1° |
| S17 | C17 | C27 | H17 | 117.2° | 119.8° |
| S17 | C17 | O57 | H17 | 117.2° | 119.8° |
| S17 | C17 | C27 | O27 | 58.7° | 61.4° |
| S17 | C17 | C27 | C37 | 61.8° | 178.7° |
| S17 | C17 | C27 | H27 | 178.0° | 58.8° |
| S17 | C17 | O57 | C57 | 56.8° | 172.3° |
| C27 | C17 | O57 | H17 | 119.6° | 120.1° |
| C17 | C27 | O27 | C37 | 119.7° | 119.6° |
| C17 | C27 | O27 | H27 | 120.1° | 120.2° |
| C17 | C27 | C37 | H27 | 120.1° | 119.8° |
| C17 | C27 | O27 | HO27 | 180.0° | 60.0° |
| C17 | C27 | C37 | O37 | 176.6° | 66.3° |
| C17 | C27 | C37 | C47 | 55.5° | 53.7° |
| C17 | C27 | C37 | H37 | 63.8° | 173.5° |
| C27 | C17 | O57 | C57 | 66.4° | 67.6° |
| O57 | C17 | C27 | O27 | 178.0° | 58.7° |
| O57 | C17 | C27 | C37 | 61.5° | 61.2° |
| O57 | C17 | C27 | H27 | 58.7° | 178.9° |
| C17 | O57 | C57 | C47 | 62.2° | 67.5° |
| C17 | O57 | C57 | C67 | 175.3° | 52.5° |
| C17 | O57 | C57 | H57 | 56.8° | 172.4° |
| H17 | C17 | C27 | O27 | 58.5° | 178.8° |
| H17 | C17 | C27 | C37 | 179.0° | 58.8° |
| H17 | C17 | C27 | H27 | 60.8° | 61.0° |
| H17 | C17 | O57 | C57 | 173.9° | 52.5° |
| O27 | C27 | C37 | H27 | 119.3° | 120.3° |
| O27 | C27 | C37 | O37 | 62.8° | 173.9° |
| O27 | C27 | C37 | C47 | 176.1° | 66.1° |
| O27 | C27 | C37 | H37 | 56.7° | 53.6° |
| C37 | C27 | O27 | HO27 | 60.3° | 179.5° |
| C27 | C37 | O37 | C47 | 121.6° | 119.2° |
| C27 | C37 | O37 | H37 | 119.2° | 120.3° |
| C27 | C37 | C47 | H37 | 119.2° | 119.7° |
| C27 | C37 | O37 | HO37 | 180.0° | 60.0° |
| C27 | C37 | C47 | O47 | 172.3° | 66.2° |
| C27 | C37 | C47 | C57 | 51.6° | 53.8° |
| C27 | C37 | C47 | H47 | 67.7° | 173.6° |
| H27 | C27 | O27 | HO27 | 59.9° | 60.2° |
| H27 | C27 | C37 | O37 | 56.5° | 53.6° |
| H27 | C27 | C37 | C47 | 64.6° | 173.6° |
| H27 | C27 | C37 | H37 | 176.1° | 66.7° |
| O37 | C37 | C47 | H37 | 119.6° | 120.5° |
| O37 | C37 | C47 | O47 | 66.5° | 173.9° |
| O37 | C37 | C47 | C57 | 172.9° | 66.0° |
| O37 | C37 | C47 | H47 | 53.5° | 53.8° |
| C47 | C37 | O37 | HO37 | 58.4° | 179.2° |
| C37 | C47 | O47 | C57 | 121.3° | 119.7° |
| C37 | C47 | O47 | H47 | 119.3° | 120.2° |
| C37 | C47 | C57 | H47 | 119.3° | 119.9° |
| C37 | C47 | O47 | HO47 | 179.9° | 60.0° |
| C37 | C47 | C57 | O57 | 53.0° | 61.3° |
| C37 | C47 | C57 | C67 | 175.0° | 58.7° |
| C37 | C47 | C57 | H57 | 66.5° | 178.6° |
| H37 | C37 | O37 | HO37 | 60.9° | 60.3° |
| H37 | C37 | C47 | O47 | 53.1° | 53.5° |
| H37 | C37 | C47 | C57 | 67.6° | 173.5° |
| H37 | C37 | C47 | H47 | 173.1° | 66.7° |
| O47 | C47 | C57 | H47 | 120.0° | 120.1° |
| O47 | C47 | C57 | O57 | 173.7° | 58.7° |
| O47 | C47 | C57 | C67 | 64.2° | 178.7° |
| O47 | C47 | C57 | H57 | 54.3° | 61.4° |
| C57 | C47 | O47 | HO47 | 58.7° | 179.7° |
| C47 | C57 | O57 | C67 | 122.5° | 120.0° |
| C47 | C57 | O57 | H57 | 118.9° | 120.1° |
| C47 | C57 | C67 | H57 | 118.9° | 119.9° |
| C47 | C57 | C67 | O67 | 89.6° | 57.6° |
| C47 | C57 | C67 | H671 | 145.1° | 177.6° |
| C47 | C57 | C67 | H672 | 35.7° | 62.4° |
| H47 | C47 | O47 | HO47 | 60.6° | 60.2° |
| H47 | C47 | C57 | O57 | 66.3° | 178.8° |
| H47 | C47 | C57 | C67 | 55.8° | 61.1° |
| H47 | C47 | C57 | H57 | 174.2° | 58.7° |
| O57 | C57 | C67 | H57 | 119.4° | 119.9° |
| O57 | C57 | C67 | O67 | 32.1° | 177.8° |
| O57 | C57 | C67 | H671 | 93.2° | 62.2° |
| O57 | C57 | C67 | H672 | 157.3° | 57.9° |
| C57 | C67 | O67 | H671 | 125.3° | 120.0° |
| C57 | C67 | O67 | H672 | 125.2° | 120.0° |
| C57 | C67 | H671 | H672 | 118.0° | 120.0° |
| C57 | C67 | O67 | HO67 | 180.0° | 180.0° |
| H57 | C57 | C67 | O67 | 151.5° | 62.3° |
| H57 | C57 | C67 | H671 | 26.3° | 57.7° |
| H57 | C57 | C67 | H672 | 83.2° | 177.7° |
| O67 | C67 | H671 | H672 | 117.9° | 120.0° |
| H671 | C67 | O67 | HO67 | 54.7° | 60.0° |
| H672 | C67 | O67 | HO67 | 54.7° | 60.0° |
