PRD_900031
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C11 | sing | 1.43Å | 1.43Å | |
| O10 | C12 | sing | 1.43Å | 1.43Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C1B | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.12Å | |
| C13 | O14 | sing | 1.43Å | 1.45Å | |
| C13 | C15 | sing | 1.53Å | 1.55Å | |
| C13 | H13 | sing | 1.09Å | 1.11Å | |
| O14 | C1K | sing | 1.43Å | 1.43Å | |
| C15 | O16 | sing | 1.43Å | 1.43Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| O16 | S17 | sing | 1.52Å | 1.60Å | |
| S17 | O18 | sing | 1.52Å | 1.43Å | |
| S17 | O19 | doub | 1.42Å | 1.43Å | |
| S17 | O1A | doub | 1.42Å | 1.42Å | |
| O18 | HO8 | sing | 0.97Å | 0.95Å | |
| C1B | O1C | sing | 1.43Å | 1.42Å | |
| C1B | C1E | sing | 1.53Å | 1.55Å | |
| C1B | H1B | sing | 1.09Å | 1.11Å | |
| O1C | C1D | sing | 1.43Å | 1.43Å | |
| C1D | H1D1 | sing | 1.09Å | 1.12Å | |
| C1D | H1D2 | sing | 1.09Å | 1.11Å | |
| C1D | H1D3 | sing | 1.09Å | 1.11Å | |
| C1E | O1F | sing | 1.43Å | 1.44Å | |
| C1E | C1K | sing | 1.53Å | 1.55Å | |
| C1E | H1E | sing | 1.09Å | 1.11Å | |
| O1F | S1G | sing | 1.52Å | 1.61Å | |
| S1G | O1H | doub | 1.42Å | 1.42Å | |
| S1G | O1I | sing | 1.52Å | 1.43Å | |
| S1G | O1J | doub | 1.42Å | 1.43Å | |
| O1I | HO1 | sing | 0.97Å | 0.95Å | |
| C1K | O1L | sing | 1.43Å | 1.43Å | |
| C1K | H1K | sing | 1.09Å | 1.11Å | |
| O1L | C20 | sing | 1.43Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C20 | C26 | sing | 1.53Å | 1.54Å | |
| C20 | H20 | sing | 1.09Å | 1.11Å | |
| C21 | O22 | sing | 1.43Å | 1.43Å | |
| C21 | C23 | sing | 1.51Å | 1.55Å | |
| C21 | H21 | sing | 1.09Å | 1.11Å | |
| O22 | C2C | sing | 1.43Å | 1.42Å | |
| C23 | O24 | doub | 1.21Å | 1.26Å | |
| C23 | O25 | sing | 1.34Å | 1.25Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| C26 | O27 | sing | 1.43Å | 1.43Å | |
| C26 | C29 | sing | 1.53Å | 1.53Å | |
| C26 | H26 | sing | 1.09Å | 1.11Å | |
| O27 | C28 | sing | 1.43Å | 1.43Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C28 | H283 | sing | 1.09Å | 1.11Å | |
| C29 | O2A | sing | 1.43Å | 1.42Å | |
| C29 | C2C | sing | 1.53Å | 1.54Å | |
| C29 | H29 | sing | 1.09Å | 1.11Å | |
| O2A | C2B | sing | 1.43Å | 1.42Å | |
| C2B | H2B1 | sing | 1.09Å | 1.11Å | |
| C2B | H2B2 | sing | 1.09Å | 1.11Å | |
| C2B | H2B3 | sing | 1.09Å | 1.11Å | |
| C2C | O2D | sing | 1.43Å | 1.43Å | |
| C2C | H2C | sing | 1.09Å | 1.12Å | |
| O2D | C30 | sing | 1.43Å | 1.43Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C30 | C39 | sing | 1.53Å | 1.53Å | |
| C30 | H30 | sing | 1.09Å | 1.11Å | |
| C31 | O32 | sing | 1.43Å | 1.43Å | |
| C31 | C33 | sing | 1.53Å | 1.54Å | |
| C31 | H31 | sing | 1.09Å | 1.12Å | |
| O32 | C3L | sing | 1.43Å | 1.46Å | |
| C33 | O34 | sing | 1.43Å | 1.43Å | |
| C33 | H331 | sing | 1.09Å | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| O34 | S35 | sing | 1.52Å | 1.63Å | |
| S35 | O36 | doub | 1.42Å | 1.43Å | |
| S35 | O37 | sing | 1.52Å | 1.43Å | |
| S35 | O38 | doub | 1.42Å | 1.43Å | |
| O37 | HO7 | sing | 0.97Å | 0.95Å | |
| C39 | O3A | sing | 1.43Å | 1.41Å | |
| C39 | C3F | sing | 1.53Å | 1.52Å | |
| C39 | H39 | sing | 1.09Å | 1.11Å | |
| O3A | S3B | sing | 1.52Å | 1.62Å | |
| S3B | O3C | doub | 1.42Å | 1.42Å | |
| S3B | O3D | sing | 1.52Å | 1.42Å | |
| S3B | O3E | doub | 1.42Å | 1.43Å | |
| O3D | HO3D | sing | 0.97Å | 0.95Å | |
| C3F | O3G | sing | 1.43Å | 1.40Å | |
| C3F | C3L | sing | 1.53Å | 1.53Å | |
| C3F | H3F | sing | 1.09Å | 1.11Å | |
| O3G | S3H | sing | 1.52Å | 1.62Å | |
| S3H | O3I | sing | 1.52Å | 1.43Å | |
| S3H | O3J | doub | 1.42Å | 1.42Å | |
| S3H | O3K | doub | 1.42Å | 1.43Å | |
| O3I | HO3I | sing | 0.97Å | 0.95Å | |
| C3L | O3M | sing | 1.43Å | 1.44Å | |
| C3L | H3L | sing | 1.09Å | 1.11Å | |
| O3M | C40 | sing | 1.43Å | 1.44Å | |
| C40 | C41 | sing | 1.53Å | 1.55Å | |
| C40 | C46 | sing | 1.53Å | 1.55Å | |
| C40 | H40 | sing | 1.09Å | 1.12Å | |
| C41 | O42 | sing | 1.42Å | 1.43Å | |
| C41 | C43 | sing | 1.51Å | 1.54Å | |
| C41 | H41 | sing | 1.09Å | 1.11Å | |
| O42 | C4F | sing | 1.43Å | 1.42Å | |
| C43 | O44 | doub | 1.21Å | 1.26Å | |
| C43 | O45 | sing | 1.34Å | 1.27Å | |
| O45 | H45 | sing | 0.97Å | 0.95Å | |
| C46 | O47 | sing | 1.43Å | 1.41Å | |
| C46 | C49 | sing | 1.53Å | 1.55Å | |
| C46 | H46 | sing | 1.09Å | 1.11Å | |
| O47 | C48 | sing | 1.43Å | 1.42Å | |
| C48 | H481 | sing | 1.09Å | 1.11Å | |
| C48 | H482 | sing | 1.09Å | 1.11Å | |
| C48 | H483 | sing | 1.09Å | 1.11Å | |
| C49 | O4A | sing | 1.43Å | 1.44Å | |
| C49 | C4F | sing | 1.53Å | 1.56Å | |
| C49 | H49 | sing | 1.09Å | 1.11Å | |
| O4A | S4B | sing | 1.52Å | 1.62Å | |
| S4B | O4C | sing | 1.52Å | 1.43Å | |
| S4B | O4D | doub | 1.42Å | 1.43Å | |
| S4B | O4E | doub | 1.42Å | 1.44Å | |
| O4C | HO4 | sing | 0.97Å | 0.95Å | |
| C4F | O4G | sing | 1.43Å | 1.42Å | |
| C4F | H4F | sing | 1.09Å | 1.11Å | |
| O4G | C50 | sing | 1.43Å | 1.43Å | |
| C50 | C51 | sing | 1.53Å | 1.52Å | |
| C50 | C59 | sing | 1.53Å | 1.53Å | |
| C50 | H50 | sing | 1.09Å | 1.12Å | |
| C51 | O52 | sing | 1.43Å | 1.42Å | |
| C51 | C53 | sing | 1.53Å | 1.53Å | |
| C51 | H51 | sing | 1.09Å | 1.12Å | |
| O52 | C5L | sing | 1.43Å | 1.42Å | |
| C53 | O54 | sing | 1.43Å | 1.43Å | |
| C53 | H531 | sing | 1.09Å | 1.11Å | |
| C53 | H532 | sing | 1.09Å | 1.11Å | |
| O54 | S55 | sing | 1.52Å | 1.63Å | |
| S55 | O56 | doub | 1.42Å | 1.43Å | |
| S55 | O57 | doub | 1.42Å | 1.43Å | |
| S55 | O58 | sing | 1.52Å | 1.42Å | |
| O58 | H58 | sing | 0.97Å | 0.95Å | |
| C59 | O5A | sing | 1.43Å | 1.44Å | |
| C59 | C5F | sing | 1.53Å | 1.54Å | |
| C59 | H59 | sing | 1.09Å | 1.11Å | |
| O5A | S5B | sing | 1.52Å | 1.61Å | |
| S5B | O5C | doub | 1.42Å | 1.42Å | |
| S5B | O5D | sing | 1.52Å | 1.43Å | |
| S5B | O5E | doub | 1.42Å | 1.43Å | |
| O5D | HO5D | sing | 0.97Å | 0.95Å | |
| C5F | O5G | sing | 1.43Å | 1.42Å | |
| C5F | C5L | sing | 1.53Å | 1.53Å | |
| C5F | H5F | sing | 1.09Å | 1.12Å | |
| O5G | S5H | sing | 1.52Å | 1.63Å | |
| S5H | O5I | sing | 1.52Å | 1.42Å | |
| S5H | O5J | doub | 1.42Å | 1.42Å | |
| S5H | O5K | doub | 1.42Å | 1.42Å | |
| O5I | HO5I | sing | 0.97Å | 0.95Å | |
| C5L | O5M | sing | 1.43Å | 1.41Å | |
| C5L | H5L | sing | 1.09Å | 1.11Å | |
| O5M | C5N | sing | 1.43Å | 1.43Å | |
| C5N | H5N1 | sing | 1.09Å | 1.11Å | |
| C5N | H5N2 | sing | 1.09Å | 1.12Å | |
| C5N | H5N3 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | O10 | C12 | 113.4° | 106.8° |
| O10 | C11 | H111 | 113.5° | 109.5° |
| O10 | C11 | H112 | 110.8° | 109.5° |
| O10 | C11 | H113 | 110.8° | 109.4° |
| O10 | C12 | C13 | 109.4° | 109.6° |
| O10 | C12 | C1B | 111.4° | 109.6° |
| O10 | C12 | H12 | 107.7° | 109.6° |
| H111 | C11 | H112 | 110.7° | 109.5° |
| H111 | C11 | H113 | 110.8° | 109.5° |
| H112 | C11 | H113 | 99.5° | 109.4° |
| C13 | C12 | C1B | 108.1° | 109.0° |
| C13 | C12 | H12 | 111.2° | 109.6° |
| C12 | C13 | O14 | 108.9° | 109.8° |
| C12 | C13 | C15 | 110.6° | 109.3° |
| C12 | C13 | H13 | 108.2° | 109.4° |
| C1B | C12 | H12 | 109.0° | 109.5° |
| C12 | C1B | O1C | 109.4° | 109.6° |
| C12 | C1B | C1E | 107.9° | 108.6° |
| C12 | C1B | H1B | 111.1° | 109.6° |
| O14 | C13 | C15 | 106.6° | 109.5° |
| O14 | C13 | H13 | 112.0° | 109.4° |
| C13 | O14 | C1K | 112.7° | 107.6° |
| C15 | C13 | H13 | 110.5° | 109.4° |
| C13 | C15 | O16 | 106.9° | 109.4° |
| C13 | C15 | H151 | 113.1° | 109.5° |
| C13 | C15 | H152 | 113.1° | 109.5° |
| O14 | C1K | C1E | 109.7° | 109.7° |
| O14 | C1K | O1L | 110.5° | 109.4° |
| O14 | C1K | H1K | 107.3° | 109.4° |
| O16 | C15 | H151 | 113.2° | 109.5° |
| O16 | C15 | H152 | 113.2° | 109.4° |
| C15 | O16 | S17 | 117.8° | 106.8° |
| H151 | C15 | H152 | 97.3° | 109.5° |
| O16 | S17 | O18 | 105.2° | 107.4° |
| O16 | S17 | O19 | 106.7° | 105.8° |
| O16 | S17 | O1A | 104.0° | 105.8° |
| O18 | S17 | O19 | 113.5° | 105.7° |
| O18 | S17 | O1A | 112.0° | 105.8° |
| S17 | O18 | HO8 | 105.2° | 106.8° |
| O19 | S17 | O1A | 114.4° | 125.4° |
| O1C | C1B | C1E | 111.0° | 109.8° |
| O1C | C1B | H1B | 108.0° | 109.6° |
| C1B | O1C | C1D | 112.3° | 106.8° |
| C1E | C1B | H1B | 109.4° | 109.6° |
| C1B | C1E | O1F | 109.2° | 109.6° |
| C1B | C1E | C1K | 109.1° | 109.1° |
| C1B | C1E | H1E | 108.8° | 109.5° |
| O1C | C1D | H1D1 | 112.3° | 109.4° |
| O1C | C1D | H1D2 | 111.2° | 109.5° |
| O1C | C1D | H1D3 | 111.2° | 109.5° |
| H1D1 | C1D | H1D2 | 111.1° | 109.4° |
| H1D1 | C1D | H1D3 | 111.1° | 109.4° |
| H1D2 | C1D | H1D3 | 99.3° | 109.5° |
| O1F | C1E | C1K | 106.0° | 109.5° |
| O1F | C1E | H1E | 111.7° | 109.5° |
| C1E | O1F | S1G | 115.6° | 106.8° |
| C1K | C1E | H1E | 112.0° | 109.6° |
| C1E | C1K | O1L | 104.9° | 109.5° |
| C1E | C1K | H1K | 112.6° | 109.4° |
| O1F | S1G | O1H | 104.4° | 105.8° |
| O1F | S1G | O1I | 105.4° | 107.4° |
| O1F | S1G | O1J | 104.7° | 105.8° |
| O1H | S1G | O1I | 113.2° | 105.7° |
| O1H | S1G | O1J | 113.4° | 125.3° |
| O1I | S1G | O1J | 114.4° | 105.8° |
| S1G | O1I | HO1 | 105.3° | 106.8° |
| O1L | C1K | H1K | 111.9° | 109.3° |
| C1K | O1L | C20 | 119.1° | 106.9° |
| O1L | C20 | C21 | 107.6° | 109.6° |
| O1L | C20 | C26 | 110.9° | 109.6° |
| O1L | C20 | H20 | 109.5° | 109.5° |
| C21 | C20 | C26 | 108.8° | 109.0° |
| C21 | C20 | H20 | 111.6° | 109.6° |
| C20 | C21 | O22 | 110.6° | 109.8° |
| C20 | C21 | C23 | 108.7° | 109.3° |
| C20 | C21 | H21 | 109.3° | 109.4° |
| C26 | C20 | H20 | 108.4° | 109.5° |
| C20 | C26 | O27 | 112.2° | 109.6° |
| C20 | C26 | C29 | 107.2° | 108.6° |
| C20 | C26 | H26 | 109.6° | 109.6° |
| O22 | C21 | C23 | 109.8° | 109.5° |
| O22 | C21 | H21 | 108.3° | 109.4° |
| C21 | O22 | C2C | 117.5° | 107.6° |
| C23 | C21 | H21 | 110.2° | 109.4° |
| C21 | C23 | O24 | 120.5° | 120.0° |
| C21 | C23 | O25 | 119.5° | 120.1° |
| O22 | C2C | C29 | 111.5° | 109.7° |
| O22 | C2C | O2D | 109.7° | 109.5° |
| O22 | C2C | H2C | 107.1° | 109.5° |
| O24 | C23 | O25 | 118.6° | 119.9° |
| C23 | O25 | H25 | 119.5° | 120.1° |
| O27 | C26 | C29 | 111.0° | 109.7° |
| O27 | C26 | H26 | 105.8° | 109.6° |
| C26 | O27 | C28 | 113.8° | 106.8° |
| C29 | C26 | H26 | 111.0° | 109.7° |
| C26 | C29 | O2A | 109.8° | 109.6° |
| C26 | C29 | C2C | 109.6° | 109.0° |
| C26 | C29 | H29 | 109.4° | 109.6° |
| O27 | C28 | H281 | 113.8° | 109.5° |
| O27 | C28 | H282 | 110.6° | 109.5° |
| O27 | C28 | H283 | 110.6° | 109.5° |
| H281 | C28 | H282 | 110.6° | 109.5° |
| H281 | C28 | H283 | 110.6° | 109.5° |
| H282 | C28 | H283 | 99.7° | 109.4° |
| O2A | C29 | C2C | 110.5° | 109.5° |
| O2A | C29 | H29 | 108.6° | 109.5° |
| C29 | O2A | C2B | 113.2° | 106.8° |
| C2C | C29 | H29 | 108.8° | 109.7° |
| C29 | C2C | O2D | 106.6° | 109.4° |
| C29 | C2C | H2C | 110.1° | 109.4° |
| O2A | C2B | H2B1 | 113.2° | 109.5° |
| O2A | C2B | H2B2 | 110.8° | 109.5° |
| O2A | C2B | H2B3 | 110.8° | 109.5° |
| H2B1 | C2B | H2B2 | 110.9° | 109.4° |
| H2B1 | C2B | H2B3 | 110.9° | 109.5° |
| H2B2 | C2B | H2B3 | 99.5° | 109.5° |
| O2D | C2C | H2C | 111.9° | 109.4° |
| C2C | O2D | C30 | 119.5° | 106.8° |
| O2D | C30 | C31 | 107.9° | 109.6° |
| O2D | C30 | C39 | 111.5° | 109.6° |
| O2D | C30 | H30 | 108.6° | 109.6° |
| C31 | C30 | C39 | 108.0° | 109.0° |
| C31 | C30 | H30 | 112.2° | 109.6° |
| C30 | C31 | O32 | 112.1° | 109.8° |
| C30 | C31 | C33 | 110.1° | 109.3° |
| C30 | C31 | H31 | 106.7° | 109.4° |
| C39 | C30 | H30 | 108.6° | 109.5° |
| C30 | C39 | O3A | 112.2° | 109.6° |
| C30 | C39 | C3F | 108.5° | 108.6° |
| C30 | C39 | H39 | 108.5° | 109.6° |
| O32 | C31 | C33 | 107.6° | 109.4° |
| O32 | C31 | H31 | 109.2° | 109.4° |
| C31 | O32 | C3L | 114.2° | 107.6° |
| C33 | C31 | H31 | 111.2° | 109.4° |
| C31 | C33 | O34 | 108.6° | 109.5° |
| C31 | C33 | H331 | 112.6° | 109.4° |
| C31 | C33 | H332 | 112.5° | 109.4° |
| O32 | C3L | C3F | 108.5° | 109.7° |
| O32 | C3L | O3M | 109.4° | 109.4° |
| O32 | C3L | H3L | 111.0° | 109.4° |
| O34 | C33 | H331 | 112.5° | 109.5° |
| O34 | C33 | H332 | 112.5° | 109.4° |
| C33 | O34 | S35 | 117.0° | 106.8° |
| H331 | C33 | H332 | 97.9° | 109.5° |
| O34 | S35 | O36 | 105.5° | 105.7° |
| O34 | S35 | O37 | 105.8° | 107.4° |
| O34 | S35 | O38 | 104.8° | 105.8° |
| O36 | S35 | O37 | 112.4° | 105.7° |
| O36 | S35 | O38 | 113.5° | 125.4° |
| O37 | S35 | O38 | 113.8° | 105.8° |
| S35 | O37 | HO7 | 105.8° | 106.8° |
| O3A | C39 | C3F | 110.4° | 109.7° |
| O3A | C39 | H39 | 106.6° | 109.6° |
| C39 | O3A | S3B | 112.7° | 106.8° |
| C3F | C39 | H39 | 110.5° | 109.7° |
| C39 | C3F | O3G | 114.3° | 109.5° |
| C39 | C3F | C3L | 110.2° | 109.0° |
| C39 | C3F | H3F | 109.2° | 109.6° |
| O3A | S3B | O3C | 104.5° | 105.8° |
| O3A | S3B | O3D | 104.7° | 107.4° |
| O3A | S3B | O3E | 104.2° | 105.8° |
| O3C | S3B | O3D | 115.6° | 105.8° |
| O3C | S3B | O3E | 112.5° | 125.3° |
| O3D | S3B | O3E | 113.9° | 105.7° |
| S3B | O3D | HO3D | 104.7° | 106.8° |
| O3G | C3F | C3L | 118.0° | 109.6° |
| O3G | C3F | H3F | 99.3° | 109.6° |
| C3F | O3G | S3H | 121.7° | 106.8° |
| C3L | C3F | H3F | 104.5° | 109.5° |
| C3F | C3L | O3M | 111.9° | 109.4° |
| C3F | C3L | H3L | 108.5° | 109.4° |
| O3G | S3H | O3I | 104.1° | 107.4° |
| O3G | S3H | O3J | 106.4° | 105.8° |
| O3G | S3H | O3K | 106.7° | 105.8° |
| O3I | S3H | O3J | 113.2° | 105.8° |
| O3I | S3H | O3K | 113.2° | 105.8° |
| S3H | O3I | HO3I | 104.1° | 106.8° |
| O3J | S3H | O3K | 112.4° | 125.3° |
| O3M | C3L | H3L | 107.6° | 109.4° |
| C3L | O3M | C40 | 117.4° | 106.8° |
| O3M | C40 | C41 | 107.7° | 109.5° |
| O3M | C40 | C46 | 108.5° | 109.6° |
| O3M | C40 | H40 | 111.2° | 109.5° |
| C41 | C40 | C46 | 109.4° | 109.0° |
| C41 | C40 | H40 | 110.3° | 109.6° |
| C40 | C41 | O42 | 108.2° | 109.8° |
| C40 | C41 | C43 | 112.9° | 109.3° |
| C40 | C41 | H41 | 107.2° | 109.4° |
| C46 | C40 | H40 | 109.6° | 109.6° |
| C40 | C46 | O47 | 111.3° | 109.6° |
| C40 | C46 | C49 | 110.7° | 108.6° |
| C40 | C46 | H46 | 107.6° | 109.6° |
| O42 | C41 | C43 | 106.9° | 109.5° |
| O42 | C41 | H41 | 113.2° | 109.4° |
| C41 | O42 | C4F | 112.6° | 107.7° |
| C43 | C41 | H41 | 108.5° | 109.4° |
| C41 | C43 | O44 | 117.8° | 120.0° |
| C41 | C43 | O45 | 116.9° | 120.0° |
| O42 | C4F | C49 | 112.6° | 109.7° |
| O42 | C4F | O4G | 109.0° | 109.4° |
| O42 | C4F | H4F | 107.9° | 109.4° |
| O44 | C43 | O45 | 116.8° | 120.0° |
| C43 | O45 | H45 | 116.9° | 120.0° |
| O47 | C46 | C49 | 110.1° | 109.8° |
| O47 | C46 | H46 | 108.2° | 109.6° |
| C46 | O47 | C48 | 112.3° | 106.8° |
| C49 | C46 | H46 | 108.9° | 109.6° |
| C46 | C49 | O4A | 108.7° | 109.6° |
| C46 | C49 | C4F | 108.4° | 109.1° |
| C46 | C49 | H49 | 110.8° | 109.5° |
| O47 | C48 | H481 | 112.3° | 109.4° |
| O47 | C48 | H482 | 111.1° | 109.5° |
| O47 | C48 | H483 | 111.2° | 109.5° |
| H481 | C48 | H482 | 111.2° | 109.5° |
| H481 | C48 | H483 | 111.2° | 109.5° |
| H482 | C48 | H483 | 99.2° | 109.5° |
| O4A | C49 | C4F | 110.2° | 109.6° |
| O4A | C49 | H49 | 109.2° | 109.6° |
| C49 | O4A | S4B | 120.1° | 106.8° |
| C4F | C49 | H49 | 109.5° | 109.5° |
| C49 | C4F | O4G | 110.2° | 109.5° |
| C49 | C4F | H4F | 106.6° | 109.4° |
| O4A | S4B | O4C | 106.8° | 107.4° |
| O4A | S4B | O4D | 105.5° | 105.7° |
| O4A | S4B | O4E | 104.3° | 105.8° |
| O4C | S4B | O4D | 113.1° | 105.8° |
| O4C | S4B | O4E | 113.1° | 105.8° |
| S4B | O4C | HO4 | 106.7° | 106.8° |
| O4D | S4B | O4E | 113.2° | 125.4° |
| O4G | C4F | H4F | 110.5° | 109.4° |
| C4F | O4G | C50 | 115.7° | 106.8° |
| O4G | C50 | C51 | 110.2° | 109.6° |
| O4G | C50 | C59 | 109.7° | 109.6° |
| O4G | C50 | H50 | 109.8° | 109.6° |
| C51 | C50 | C59 | 112.1° | 109.0° |
| C51 | C50 | H50 | 107.2° | 109.6° |
| C50 | C51 | O52 | 114.3° | 109.8° |
| C50 | C51 | C53 | 113.3° | 109.3° |
| C50 | C51 | H51 | 102.9° | 109.4° |
| C59 | C50 | H50 | 107.8° | 109.5° |
| C50 | C59 | O5A | 108.4° | 109.6° |
| C50 | C59 | C5F | 106.9° | 108.6° |
| C50 | C59 | H59 | 111.8° | 109.6° |
| O52 | C51 | C53 | 108.4° | 109.4° |
| O52 | C51 | H51 | 108.3° | 109.4° |
| C51 | O52 | C5L | 116.9° | 107.6° |
| C53 | C51 | H51 | 109.4° | 109.4° |
| C51 | C53 | O54 | 110.3° | 109.5° |
| C51 | C53 | H531 | 111.9° | 109.5° |
| C51 | C53 | H532 | 111.9° | 109.5° |
| O52 | C5L | C5F | 112.6° | 109.7° |
| O52 | C5L | O5M | 112.7° | 109.4° |
| O52 | C5L | H5L | 106.4° | 109.4° |
| O54 | C53 | H531 | 111.9° | 109.4° |
| O54 | C53 | H532 | 111.9° | 109.4° |
| C53 | O54 | S55 | 115.8° | 106.8° |
| H531 | C53 | H532 | 98.5° | 109.5° |
| O54 | S55 | O56 | 104.4° | 105.8° |
| O54 | S55 | O57 | 104.8° | 105.8° |
| O54 | S55 | O58 | 106.0° | 107.3° |
| O56 | S55 | O57 | 113.0° | 125.4° |
| O56 | S55 | O58 | 113.9° | 105.8° |
| O57 | S55 | O58 | 113.6° | 105.7° |
| S55 | O58 | H58 | 105.9° | 106.8° |
| O5A | C59 | C5F | 109.4° | 109.7° |
| O5A | C59 | H59 | 109.5° | 109.7° |
| C59 | O5A | S5B | 121.3° | 106.8° |
| C5F | C59 | H59 | 110.9° | 109.5° |
| C59 | C5F | O5G | 112.5° | 109.6° |
| C59 | C5F | C5L | 111.9° | 109.1° |
| C59 | C5F | H5F | 107.0° | 109.5° |
| O5A | S5B | O5C | 105.0° | 105.8° |
| O5A | S5B | O5D | 104.7° | 107.4° |
| O5A | S5B | O5E | 106.8° | 105.7° |
| O5C | S5B | O5D | 112.7° | 105.8° |
| O5C | S5B | O5E | 114.0° | 125.3° |
| O5D | S5B | O5E | 112.7° | 105.8° |
| S5B | O5D | HO5D | 104.7° | 106.8° |
| O5G | C5F | C5L | 113.2° | 109.5° |
| O5G | C5F | H5F | 105.5° | 109.5° |
| C5F | O5G | S5H | 116.0° | 106.8° |
| C5L | C5F | H5F | 106.2° | 109.6° |
| C5F | C5L | O5M | 113.5° | 109.4° |
| C5F | C5L | H5L | 105.5° | 109.4° |
| O5G | S5H | O5I | 104.0° | 107.4° |
| O5G | S5H | O5J | 104.8° | 105.8° |
| O5G | S5H | O5K | 106.5° | 105.7° |
| O5I | S5H | O5J | 113.4° | 105.8° |
| O5I | S5H | O5K | 114.2° | 105.8° |
| S5H | O5I | HO5I | 104.0° | 106.8° |
| O5J | S5H | O5K | 112.9° | 125.4° |
| O5M | C5L | H5L | 105.4° | 109.4° |
| C5L | O5M | C5N | 113.5° | 106.8° |
| O5M | C5N | H5N1 | 113.5° | 109.5° |
| O5M | C5N | H5N2 | 110.7° | 109.5° |
| O5M | C5N | H5N3 | 110.7° | 109.5° |
| H5N1 | C5N | H5N2 | 110.8° | 109.5° |
| H5N1 | C5N | H5N3 | 110.7° | 109.4° |
| H5N2 | C5N | H5N3 | 99.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C11 | H111 | H112 | 125.2° | 120.1° |
| O10 | C11 | H111 | H113 | 125.4° | 120.0° |
| O10 | C11 | H112 | H113 | 116.7° | 120.0° |
| C11 | O10 | C12 | C13 | 102.2° | 125.9° |
| C11 | O10 | C12 | C1B | 138.3° | 114.6° |
| C11 | O10 | C12 | H12 | 18.8° | 5.6° |
| C12 | O10 | C11 | H111 | 179.9° | 175.2° |
| C12 | O10 | C11 | H112 | 54.8° | 64.8° |
| C12 | O10 | C11 | H113 | 54.7° | 55.2° |
| O10 | C12 | C13 | C1B | 121.5° | 119.9° |
| O10 | C12 | C13 | H12 | 118.9° | 120.3° |
| O10 | C12 | C1B | H12 | 118.8° | 120.2° |
| O10 | C12 | C13 | O14 | 176.9° | 178.8° |
| O10 | C12 | C13 | C15 | 60.1° | 58.7° |
| O10 | C12 | C13 | H13 | 61.1° | 61.0° |
| O10 | C12 | C1B | O1C | 59.1° | 66.5° |
| O10 | C12 | C1B | C1E | 180.0° | 173.6° |
| O10 | C12 | C1B | H1B | 60.0° | 53.9° |
| H111 | C11 | H112 | H113 | 116.6° | 120.0° |
| C13 | C12 | C1B | H12 | 121.0° | 119.9° |
| C12 | C13 | O14 | C15 | 119.3° | 120.0° |
| C12 | C13 | O14 | H13 | 119.7° | 120.1° |
| C12 | C13 | C15 | H13 | 119.8° | 119.8° |
| C12 | C13 | O14 | C1K | 63.3° | 67.6° |
| C12 | C13 | C15 | O16 | 128.8° | 51.9° |
| C12 | C13 | C15 | H151 | 105.9° | 171.9° |
| C12 | C13 | C15 | H152 | 3.5° | 68.0° |
| C13 | C12 | C1B | O1C | 179.3° | 173.6° |
| C13 | C12 | C1B | C1E | 59.8° | 53.7° |
| C13 | C12 | C1B | H1B | 60.2° | 66.0° |
| C1B | C12 | C13 | O14 | 61.6° | 61.3° |
| C1B | C12 | C13 | C15 | 178.5° | 178.6° |
| C1B | C12 | C13 | H13 | 60.4° | 58.9° |
| C12 | C1B | O1C | C1E | 119.0° | 119.2° |
| C12 | C1B | O1C | H1B | 121.0° | 120.4° |
| C12 | C1B | C1E | H1B | 121.0° | 119.7° |
| C12 | C1B | O1C | C1D | 116.7° | 150.0° |
| C12 | C1B | C1E | O1F | 173.2° | 173.7° |
| C12 | C1B | C1E | C1K | 57.8° | 53.7° |
| C12 | C1B | C1E | H1E | 64.6° | 66.2° |
| H12 | C12 | C13 | O14 | 58.0° | 58.5° |
| H12 | C12 | C13 | C15 | 58.8° | 61.6° |
| H12 | C12 | C13 | H13 | 179.9° | 178.7° |
| H12 | C12 | C1B | O1C | 59.7° | 53.7° |
| H12 | C12 | C1B | C1E | 61.2° | 66.2° |
| H12 | C12 | C1B | H1B | 178.8° | 174.1° |
| O14 | C13 | C15 | H13 | 122.0° | 119.9° |
| O14 | C13 | C15 | O16 | 10.5° | 68.4° |
| O14 | C13 | C15 | H151 | 135.8° | 51.6° |
| O14 | C13 | C15 | H152 | 114.7° | 171.7° |
| C13 | O14 | C1K | C1E | 61.0° | 67.6° |
| C13 | O14 | C1K | O1L | 54.1° | 52.5° |
| C13 | O14 | C1K | H1K | 176.3° | 172.4° |
| C15 | C13 | O14 | C1K | 177.4° | 172.3° |
| C13 | C15 | O16 | H151 | 125.3° | 120.0° |
| C13 | C15 | O16 | H152 | 125.2° | 120.0° |
| C13 | C15 | H151 | H152 | 119.1° | 120.1° |
| C13 | C15 | O16 | S17 | 152.1° | 179.4° |
| H13 | C13 | O14 | C1K | 56.4° | 52.5° |
| H13 | C13 | C15 | O16 | 111.5° | 171.7° |
| H13 | C13 | C15 | H151 | 13.8° | 68.3° |
| H13 | C13 | C15 | H152 | 123.3° | 51.8° |
| O14 | C1K | C1E | C1B | 57.5° | 61.3° |
| O14 | C1K | C1E | O1F | 175.0° | 178.8° |
| O14 | C1K | C1E | O1L | 118.7° | 120.1° |
| O14 | C1K | C1E | H1K | 119.4° | 120.1° |
| O14 | C1K | C1E | H1E | 62.9° | 58.6° |
| O14 | C1K | O1L | H1K | 119.5° | 119.9° |
| O14 | C1K | O1L | C20 | 96.9° | 65.4° |
| O16 | C15 | H151 | H152 | 119.1° | 119.9° |
| C15 | O16 | S17 | O18 | 120.2° | 90.1° |
| C15 | O16 | S17 | O19 | 0.7° | 157.4° |
| C15 | O16 | S17 | O1A | 121.9° | 22.6° |
| H151 | C15 | O16 | S17 | 82.6° | 59.4° |
| H152 | C15 | O16 | S17 | 26.9° | 60.6° |
| O16 | S17 | O18 | O19 | 116.2° | 112.6° |
| O16 | S17 | O18 | O1A | 112.3° | 112.6° |
| O16 | S17 | O19 | O1A | 114.4° | 123.2° |
| O16 | S17 | O18 | HO8 | 179.9° | 180.0° |
| O18 | S17 | O19 | O1A | 130.3° | 123.1° |
| O19 | S17 | O18 | HO8 | 63.7° | 67.4° |
| O1A | S17 | O18 | HO8 | 67.8° | 67.4° |
| O1C | C1B | C1E | H1B | 119.1° | 120.4° |
| C1B | O1C | C1D | H1D1 | 180.0° | 180.0° |
| C1B | O1C | C1D | H1D2 | 54.8° | 60.0° |
| C1B | O1C | C1D | H1D3 | 54.8° | 60.1° |
| O1C | C1B | C1E | O1F | 67.0° | 66.5° |
| O1C | C1B | C1E | C1K | 177.6° | 173.6° |
| O1C | C1B | C1E | H1E | 55.3° | 53.7° |
| C1E | C1B | O1C | C1D | 124.3° | 90.8° |
| C1B | C1E | O1F | C1K | 117.4° | 119.7° |
| C1B | C1E | O1F | H1E | 120.4° | 120.2° |
| C1B | C1E | C1K | H1E | 120.4° | 119.9° |
| C1B | C1E | O1F | S1G | 103.8° | 143.4° |
| C1B | C1E | C1K | O1L | 61.2° | 58.8° |
| C1B | C1E | C1K | H1K | 176.9° | 178.6° |
| H1B | C1B | O1C | C1D | 4.3° | 29.6° |
| H1B | C1B | C1E | O1F | 52.2° | 53.9° |
| H1B | C1B | C1E | C1K | 63.2° | 66.0° |
| H1B | C1B | C1E | H1E | 174.4° | 174.1° |
| O1C | C1D | H1D1 | H1D2 | 125.3° | 120.0° |
| O1C | C1D | H1D1 | H1D3 | 125.2° | 120.0° |
| O1C | C1D | H1D2 | H1D3 | 117.1° | 120.1° |
| H1D1 | C1D | H1D2 | H1D3 | 117.0° | 120.0° |
| O1F | C1E | C1K | H1E | 122.1° | 120.1° |
| C1E | O1F | S1G | O1H | 56.7° | 177.3° |
| C1E | O1F | S1G | O1I | 62.8° | 70.1° |
| C1E | O1F | S1G | O1J | 176.1° | 42.5° |
| O1F | C1E | C1K | O1L | 56.3° | 61.1° |
| O1F | C1E | C1K | H1K | 65.6° | 58.7° |
| C1K | C1E | O1F | S1G | 138.9° | 96.9° |
| C1E | C1K | O1L | H1K | 122.4° | 119.8° |
| C1E | C1K | O1L | C20 | 145.0° | 174.3° |
| H1E | C1E | O1F | S1G | 16.6° | 23.2° |
| H1E | C1E | C1K | O1L | 178.4° | 178.7° |
| H1E | C1E | C1K | H1K | 56.5° | 61.5° |
| O1F | S1G | O1H | O1I | 114.1° | 113.8° |
| O1F | S1G | O1H | O1J | 113.3° | 123.1° |
| O1F | S1G | O1I | O1J | 114.4° | 112.6° |
| O1F | S1G | O1I | HO1 | 180.0° | 180.0° |
| O1H | S1G | O1I | O1J | 132.1° | 134.7° |
| O1H | S1G | O1I | HO1 | 66.5° | 67.4° |
| O1J | S1G | O1I | HO1 | 65.6° | 67.4° |
| C1K | O1L | C20 | C21 | 153.7° | 158.8° |
| C1K | O1L | C20 | C26 | 87.3° | 81.6° |
| C1K | O1L | C20 | H20 | 32.2° | 38.5° |
| H1K | C1K | O1L | C20 | 22.6° | 54.4° |
| O1L | C20 | C21 | C26 | 120.3° | 119.9° |
| O1L | C20 | C21 | H20 | 120.2° | 120.3° |
| O1L | C20 | C26 | H20 | 120.2° | 120.2° |
| O1L | C20 | C21 | O22 | 175.9° | 178.8° |
| O1L | C20 | C21 | C23 | 63.5° | 58.7° |
| O1L | C20 | C21 | H21 | 56.8° | 61.1° |
| O1L | C20 | C26 | O27 | 58.9° | 66.4° |
| O1L | C20 | C26 | C29 | 178.9° | 173.7° |
| O1L | C20 | C26 | H26 | 58.3° | 53.9° |
| C21 | C20 | C26 | H20 | 121.6° | 119.9° |
| C20 | C21 | O22 | C23 | 119.9° | 120.0° |
| C20 | C21 | O22 | H21 | 119.8° | 120.1° |
| C20 | C21 | C23 | H21 | 119.7° | 119.8° |
| C20 | C21 | O22 | C2C | 52.3° | 67.6° |
| C20 | C21 | C23 | O24 | 76.8° | 104.7° |
| C20 | C21 | C23 | O25 | 89.7° | 75.4° |
| C21 | C20 | C26 | O27 | 177.2° | 173.6° |
| C21 | C20 | C26 | C29 | 60.7° | 53.8° |
| C21 | C20 | C26 | H26 | 59.9° | 66.0° |
| C26 | C20 | C21 | O22 | 55.6° | 61.2° |
| C26 | C20 | C21 | C23 | 176.2° | 178.6° |
| C26 | C20 | C21 | H21 | 63.5° | 58.8° |
| C20 | C26 | O27 | C29 | 120.0° | 119.2° |
| C20 | C26 | O27 | H26 | 119.5° | 120.3° |
| C20 | C26 | C29 | H26 | 119.7° | 119.8° |
| C20 | C26 | O27 | C28 | 139.5° | 150.0° |
| C20 | C26 | C29 | O2A | 178.0° | 173.7° |
| C20 | C26 | C29 | C2C | 60.5° | 53.9° |
| C20 | C26 | C29 | H29 | 58.8° | 66.2° |
| H20 | C20 | C21 | O22 | 63.9° | 58.6° |
| H20 | C20 | C21 | C23 | 56.7° | 61.5° |
| H20 | C20 | C21 | H21 | 177.0° | 178.7° |
| H20 | C20 | C26 | O27 | 61.3° | 53.8° |
| H20 | C20 | C26 | C29 | 60.9° | 66.1° |
| H20 | C20 | C26 | H26 | 178.6° | 174.1° |
| O22 | C21 | C23 | H21 | 119.2° | 119.9° |
| O22 | C21 | C23 | O24 | 44.3° | 15.7° |
| O22 | C21 | C23 | O25 | 149.2° | 164.3° |
| C21 | O22 | C2C | C29 | 52.1° | 67.6° |
| C21 | O22 | C2C | O2D | 170.0° | 172.3° |
| C21 | O22 | C2C | H2C | 68.4° | 52.4° |
| C23 | C21 | O22 | C2C | 172.3° | 172.4° |
| C21 | C23 | O24 | O25 | 166.6° | 179.9° |
| C21 | C23 | O25 | H25 | 180.0° | 175.1° |
| H21 | C21 | O22 | C2C | 67.4° | 52.5° |
| H21 | C21 | C23 | O24 | 163.5° | 135.5° |
| H21 | C21 | C23 | O25 | 30.1° | 44.4° |
| O22 | C2C | C29 | C26 | 55.0° | 61.4° |
| O22 | C2C | C29 | O2A | 176.2° | 178.8° |
| O22 | C2C | C29 | O2D | 119.7° | 120.1° |
| O22 | C2C | C29 | H2C | 118.7° | 120.1° |
| O22 | C2C | C29 | H29 | 64.6° | 58.6° |
| O22 | C2C | O2D | H2C | 118.7° | 119.9° |
| O22 | C2C | O2D | C30 | 72.4° | 75.8° |
| O24 | C23 | O25 | H25 | 13.3° | 5.0° |
| O27 | C26 | C29 | H26 | 117.4° | 120.4° |
| C26 | O27 | C28 | H281 | 180.0° | 180.0° |
| C26 | O27 | C28 | H282 | 54.8° | 60.0° |
| C26 | O27 | C28 | H283 | 54.7° | 60.0° |
| O27 | C26 | C29 | O2A | 55.1° | 66.5° |
| O27 | C26 | C29 | C2C | 176.6° | 173.6° |
| O27 | C26 | C29 | H29 | 64.1° | 53.6° |
| C29 | C26 | O27 | C28 | 19.4° | 90.8° |
| C26 | C29 | O2A | C2C | 121.0° | 119.5° |
| C26 | C29 | O2A | H29 | 119.7° | 120.2° |
| C26 | C29 | C2C | H29 | 119.6° | 120.0° |
| C26 | C29 | O2A | C2B | 144.7° | 150.0° |
| C26 | C29 | C2C | O2D | 174.7° | 178.5° |
| C26 | C29 | C2C | H2C | 63.7° | 58.7° |
| H26 | C26 | O27 | C28 | 101.0° | 29.7° |
| H26 | C26 | C29 | O2A | 62.3° | 53.9° |
| H26 | C26 | C29 | C2C | 59.2° | 65.9° |
| H26 | C26 | C29 | H29 | 178.5° | 174.1° |
| O27 | C28 | H281 | H282 | 125.2° | 120.1° |
| O27 | C28 | H281 | H283 | 125.2° | 120.0° |
| O27 | C28 | H282 | H283 | 116.5° | 120.0° |
| H281 | C28 | H282 | H283 | 116.5° | 120.0° |
| O2A | C29 | C2C | H29 | 119.2° | 120.2° |
| C29 | O2A | C2B | H2B1 | 180.0° | 180.0° |
| C29 | O2A | C2B | H2B2 | 54.8° | 60.1° |
| C29 | O2A | C2B | H2B3 | 54.7° | 60.0° |
| O2A | C29 | C2C | O2D | 64.1° | 58.7° |
| O2A | C29 | C2C | H2C | 57.5° | 61.2° |
| C2C | C29 | O2A | C2B | 94.3° | 90.5° |
| C29 | C2C | O2D | H2C | 120.4° | 119.8° |
| C29 | C2C | O2D | C30 | 166.7° | 164.0° |
| H29 | C29 | O2A | C2B | 25.0° | 29.8° |
| H29 | C29 | C2C | O2D | 55.1° | 61.5° |
| H29 | C29 | C2C | H2C | 176.7° | 178.7° |
| O2A | C2B | H2B1 | H2B2 | 125.2° | 120.0° |
| O2A | C2B | H2B1 | H2B3 | 125.2° | 120.0° |
| O2A | C2B | H2B2 | H2B3 | 116.7° | 120.1° |
| H2B1 | C2B | H2B2 | H2B3 | 116.8° | 120.0° |
| C2C | O2D | C30 | C31 | 116.8° | 117.5° |
| C2C | O2D | C30 | C39 | 124.8° | 122.9° |
| C2C | O2D | C30 | H30 | 5.1° | 2.7° |
| H2C | C2C | O2D | C30 | 46.3° | 44.1° |
| O2D | C30 | C31 | C39 | 120.7° | 119.9° |
| O2D | C30 | C31 | H30 | 119.6° | 120.3° |
| O2D | C30 | C39 | H30 | 119.7° | 120.2° |
| O2D | C30 | C31 | O32 | 176.9° | 178.8° |
| O2D | C30 | C31 | C33 | 63.3° | 58.7° |
| O2D | C30 | C31 | H31 | 57.4° | 61.1° |
| O2D | C30 | C39 | O3A | 61.4° | 66.5° |
| O2D | C30 | C39 | C3F | 176.3° | 173.7° |
| O2D | C30 | C39 | H39 | 56.2° | 53.9° |
| C31 | C30 | C39 | H30 | 121.9° | 119.9° |
| C30 | C31 | O32 | C33 | 121.2° | 120.0° |
| C30 | C31 | O32 | H31 | 118.0° | 120.1° |
| C30 | C31 | C33 | H31 | 118.0° | 119.8° |
| C30 | C31 | O32 | C3L | 57.2° | 67.6° |
| C30 | C31 | C33 | O34 | 47.7° | 175.4° |
| C30 | C31 | C33 | H331 | 172.9° | 55.4° |
| C30 | C31 | C33 | H332 | 77.6° | 64.6° |
| C31 | C30 | C39 | O3A | 179.9° | 173.6° |
| C31 | C30 | C39 | C3F | 57.8° | 53.8° |
| C31 | C30 | C39 | H39 | 62.3° | 66.1° |
| C39 | C30 | C31 | O32 | 56.2° | 61.3° |
| C39 | C30 | C31 | C33 | 176.0° | 178.6° |
| C39 | C30 | C31 | H31 | 63.3° | 58.8° |
| C30 | C39 | O3A | C3F | 121.2° | 119.2° |
| C30 | C39 | O3A | H39 | 118.7° | 120.4° |
| C30 | C39 | C3F | H39 | 118.9° | 119.8° |
| C30 | C39 | O3A | S3B | 128.3° | 118.9° |
| C30 | C39 | C3F | O3G | 163.3° | 173.7° |
| C30 | C39 | C3F | C3L | 61.0° | 53.8° |
| C30 | C39 | C3F | H3F | 53.2° | 66.1° |
| H30 | C30 | C31 | O32 | 63.5° | 58.5° |
| H30 | C30 | C31 | C33 | 56.3° | 61.6° |
| H30 | C30 | C31 | H31 | 177.1° | 178.6° |
| H30 | C30 | C39 | O3A | 58.3° | 53.8° |
| H30 | C30 | C39 | C3F | 64.0° | 66.1° |
| H30 | C30 | C39 | H39 | 175.9° | 174.1° |
| O32 | C31 | C33 | H31 | 119.5° | 119.9° |
| O32 | C31 | C33 | O34 | 74.8° | 64.3° |
| O32 | C31 | C33 | H331 | 50.4° | 175.7° |
| O32 | C31 | C33 | H332 | 159.9° | 55.7° |
| C31 | O32 | C3L | C3F | 57.0° | 67.5° |
| C31 | O32 | C3L | O3M | 65.4° | 52.5° |
| C31 | O32 | C3L | H3L | 176.0° | 172.4° |
| C33 | C31 | O32 | C3L | 178.4° | 172.4° |
| C31 | C33 | O34 | H331 | 125.3° | 120.0° |
| C31 | C33 | O34 | H332 | 125.2° | 120.0° |
| C31 | C33 | H331 | H332 | 118.5° | 120.0° |
| C31 | C33 | O34 | S35 | 178.0° | 180.0° |
| H31 | C31 | O32 | C3L | 60.8° | 52.5° |
| H31 | C31 | C33 | O34 | 165.6° | 55.6° |
| H31 | C31 | C33 | H331 | 69.1° | 64.4° |
| H31 | C31 | C33 | H332 | 40.4° | 175.6° |
| O32 | C3L | C3F | C39 | 58.5° | 61.3° |
| O32 | C3L | C3F | O3G | 167.7° | 178.9° |
| O32 | C3L | C3F | O3M | 120.9° | 120.0° |
| O32 | C3L | C3F | H3L | 120.6° | 120.1° |
| O32 | C3L | C3F | H3F | 58.7° | 58.6° |
| O32 | C3L | O3M | H3L | 120.7° | 119.9° |
| O32 | C3L | O3M | C40 | 45.7° | 117.0° |
| O34 | C33 | H331 | H332 | 118.4° | 120.0° |
| C33 | O34 | S35 | O36 | 108.4° | 157.4° |
| C33 | O34 | S35 | O37 | 10.9° | 90.1° |
| C33 | O34 | S35 | O38 | 131.5° | 22.6° |
| H331 | C33 | O34 | S35 | 56.7° | 60.0° |
| H332 | C33 | O34 | S35 | 52.8° | 60.0° |
| O34 | S35 | O36 | O37 | 114.8° | 113.8° |
| O34 | S35 | O36 | O38 | 114.1° | 123.1° |
| O34 | S35 | O37 | O38 | 114.5° | 112.6° |
| O34 | S35 | O37 | HO7 | 180.0° | 180.0° |
| O36 | S35 | O37 | O38 | 130.9° | 134.8° |
| O36 | S35 | O37 | HO7 | 65.4° | 67.4° |
| O38 | S35 | O37 | HO7 | 65.5° | 67.4° |
| O3A | C39 | C3F | H39 | 117.7° | 120.4° |
| C39 | O3A | S3B | O3C | 60.4° | 178.5° |
| C39 | O3A | S3B | O3D | 177.7° | 68.8° |
| C39 | O3A | S3B | O3E | 57.8° | 43.7° |
| O3A | C39 | C3F | O3G | 39.9° | 66.6° |
| O3A | C39 | C3F | C3L | 175.6° | 173.6° |
| O3A | C39 | C3F | H3F | 70.2° | 53.7° |
| C3F | C39 | O3A | S3B | 110.5° | 121.9° |
| C39 | C3F | O3G | C3L | 132.1° | 119.6° |
| C39 | C3F | O3G | H3F | 116.0° | 120.3° |
| C39 | C3F | C3L | H3F | 117.2° | 119.9° |
| C39 | C3F | O3G | S3H | 164.3° | 131.7° |
| C39 | C3F | C3L | O3M | 62.4° | 58.7° |
| C39 | C3F | C3L | H3L | 179.1° | 178.6° |
| H39 | C39 | O3A | S3B | 9.6° | 1.5° |
| H39 | C39 | C3F | O3G | 77.9° | 53.9° |
| H39 | C39 | C3F | C3L | 57.9° | 66.0° |
| H39 | C39 | C3F | H3F | 172.0° | 174.1° |
| O3A | S3B | O3C | O3D | 114.5° | 113.8° |
| O3A | S3B | O3C | O3E | 112.4° | 123.1° |
| O3A | S3B | O3D | O3E | 113.1° | 112.6° |
| O3A | S3B | O3D | HO3D | 179.9° | 180.0° |
| O3C | S3B | O3D | O3E | 132.5° | 134.8° |
| O3C | S3B | O3D | HO3D | 65.7° | 67.3° |
| O3E | S3B | O3D | HO3D | 66.8° | 67.4° |
| O3G | C3F | C3L | H3F | 109.0° | 120.2° |
| C3F | O3G | S3H | O3I | 83.9° | 70.7° |
| C3F | O3G | S3H | O3J | 156.3° | 176.7° |
| C3F | O3G | S3H | O3K | 36.1° | 41.9° |
| O3G | C3F | C3L | O3M | 71.4° | 61.1° |
| O3G | C3F | C3L | H3L | 47.1° | 58.8° |
| C3L | C3F | O3G | S3H | 32.3° | 108.8° |
| C3F | C3L | O3M | H3L | 119.0° | 119.9° |
| C3F | C3L | O3M | C40 | 166.1° | 122.8° |
| H3F | C3F | O3G | S3H | 79.7° | 11.4° |
| H3F | C3F | C3L | O3M | 179.6° | 178.7° |
| H3F | C3F | C3L | H3L | 61.9° | 61.4° |
| O3G | S3H | O3I | O3J | 115.1° | 112.6° |
| O3G | S3H | O3I | O3K | 115.5° | 112.6° |
| O3G | S3H | O3J | O3K | 116.4° | 123.1° |
| O3G | S3H | O3I | HO3I | 180.0° | 179.9° |
| O3I | S3H | O3J | O3K | 129.8° | 123.1° |
| O3J | S3H | O3I | HO3I | 64.9° | 67.4° |
| O3K | S3H | O3I | HO3I | 64.5° | 67.3° |
| C3L | O3M | C40 | C41 | 151.1° | 95.8° |
| C3L | O3M | C40 | C46 | 90.5° | 144.6° |
| C3L | O3M | C40 | H40 | 30.2° | 24.4° |
| H3L | C3L | O3M | C40 | 74.9° | 2.9° |
| O3M | C40 | C41 | C46 | 117.8° | 119.9° |
| O3M | C40 | C41 | H40 | 121.5° | 120.2° |
| O3M | C40 | C46 | H40 | 121.6° | 120.2° |
| O3M | C40 | C41 | O42 | 71.1° | 58.7° |
| O3M | C40 | C41 | C43 | 47.0° | 61.4° |
| O3M | C40 | C41 | H41 | 166.5° | 178.8° |
| O3M | C40 | C46 | O47 | 103.6° | 173.9° |
| O3M | C40 | C46 | C49 | 133.7° | 66.2° |
| O3M | C40 | C46 | H46 | 14.8° | 53.6° |
| C41 | C40 | C46 | H40 | 121.1° | 119.9° |
| C40 | C41 | O42 | C43 | 121.8° | 120.1° |
| C40 | C41 | O42 | H41 | 118.7° | 120.1° |
| C40 | C41 | C43 | H41 | 118.7° | 119.8° |
| C40 | C41 | O42 | C4F | 72.3° | 67.6° |
| C40 | C41 | C43 | O44 | 115.8° | 118.1° |
| C40 | C41 | C43 | O45 | 97.3° | 62.0° |
| C41 | C40 | C46 | O47 | 139.1° | 66.2° |
| C41 | C40 | C46 | C49 | 16.4° | 53.7° |
| C41 | C40 | C46 | H46 | 102.5° | 173.4° |
| C46 | C40 | C41 | O42 | 46.7° | 61.2° |
| C46 | C40 | C41 | C43 | 164.8° | 178.7° |
| C46 | C40 | C41 | H41 | 75.7° | 58.9° |
| C40 | C46 | O47 | C49 | 123.1° | 119.2° |
| C40 | C46 | O47 | H46 | 118.0° | 120.3° |
| C40 | C46 | C49 | H46 | 118.1° | 119.7° |
| C40 | C46 | O47 | C48 | 111.2° | 150.0° |
| C40 | C46 | C49 | O4A | 178.7° | 66.2° |
| C40 | C46 | C49 | C4F | 58.9° | 53.8° |
| C40 | C46 | C49 | H49 | 61.3° | 173.6° |
| H40 | C40 | C41 | O42 | 167.4° | 178.9° |
| H40 | C40 | C41 | C43 | 74.5° | 58.8° |
| H40 | C40 | C41 | H41 | 45.0° | 61.0° |
| H40 | C40 | C46 | O47 | 18.0° | 53.7° |
| H40 | C40 | C46 | C49 | 104.7° | 173.6° |
| H40 | C40 | C46 | H46 | 136.4° | 66.7° |
| O42 | C41 | C43 | H41 | 122.4° | 119.9° |
| O42 | C41 | C43 | O44 | 125.3° | 2.3° |
| O42 | C41 | C43 | O45 | 21.6° | 177.7° |
| C41 | O42 | C4F | C49 | 26.0° | 67.6° |
| C41 | O42 | C4F | O4G | 96.6° | 52.5° |
| C41 | O42 | C4F | H4F | 143.4° | 172.4° |
| C43 | C41 | O42 | C4F | 165.9° | 172.4° |
| C41 | C43 | O44 | O45 | 147.0° | 180.0° |
| C41 | C43 | O45 | H45 | 180.0° | 180.0° |
| H41 | C41 | O42 | C4F | 46.4° | 52.5° |
| H41 | C41 | C43 | O44 | 2.9° | 122.2° |
| H41 | C41 | C43 | O45 | 144.0° | 57.8° |
| O42 | C4F | C49 | C46 | 38.4° | 61.3° |
| O42 | C4F | C49 | O4A | 157.3° | 58.6° |
| O42 | C4F | C49 | O4G | 121.9° | 120.1° |
| O42 | C4F | C49 | H4F | 118.2° | 120.1° |
| O42 | C4F | C49 | H49 | 82.6° | 178.9° |
| O42 | C4F | O4G | H4F | 118.4° | 119.9° |
| O42 | C4F | O4G | C50 | 78.1° | 86.8° |
| O44 | C43 | O45 | H45 | 32.7° | 0.1° |
| O47 | C46 | C49 | H46 | 118.5° | 120.5° |
| C46 | O47 | C48 | H481 | 180.0° | 180.0° |
| C46 | O47 | C48 | H482 | 54.8° | 60.0° |
| C46 | O47 | C48 | H483 | 54.7° | 60.0° |
| O47 | C46 | C49 | O4A | 57.9° | 174.0° |
| O47 | C46 | C49 | C4F | 177.6° | 66.0° |
| O47 | C46 | C49 | H49 | 62.1° | 53.8° |
| C49 | C46 | O47 | C48 | 125.7° | 90.8° |
| C46 | C49 | O4A | C4F | 118.6° | 119.6° |
| C46 | C49 | O4A | H49 | 121.1° | 120.2° |
| C46 | C49 | C4F | H49 | 121.0° | 119.8° |
| C46 | C49 | O4A | S4B | 136.4° | 133.6° |
| C46 | C49 | C4F | O4G | 160.3° | 58.8° |
| C46 | C49 | C4F | H4F | 79.8° | 178.6° |
| H46 | C46 | O47 | C48 | 6.8° | 29.7° |
| H46 | C46 | C49 | O4A | 60.6° | 53.5° |
| H46 | C46 | C49 | C4F | 59.1° | 173.5° |
| H46 | C46 | C49 | H49 | 179.4° | 66.7° |
| O47 | C48 | H481 | H482 | 125.2° | 120.0° |
| O47 | C48 | H481 | H483 | 125.3° | 120.0° |
| O47 | C48 | H482 | H483 | 117.1° | 120.0° |
| H481 | C48 | H482 | H483 | 117.1° | 120.0° |
| O4A | C49 | C4F | H49 | 120.1° | 120.3° |
| C49 | O4A | S4B | O4C | 51.9° | 69.2° |
| C49 | O4A | S4B | O4D | 68.6° | 178.2° |
| C49 | O4A | S4B | O4E | 171.9° | 43.4° |
| O4A | C49 | C4F | O4G | 80.8° | 178.7° |
| O4A | C49 | C4F | H4F | 39.1° | 61.4° |
| C4F | C49 | O4A | S4B | 105.0° | 106.8° |
| C49 | C4F | O4G | H4F | 117.6° | 119.8° |
| C49 | C4F | O4G | C50 | 157.8° | 152.9° |
| H49 | C49 | O4A | S4B | 15.3° | 13.4° |
| H49 | C49 | C4F | O4G | 39.3° | 61.0° |
| H49 | C49 | C4F | H4F | 159.2° | 58.8° |
| O4A | S4B | O4C | O4D | 115.6° | 112.5° |
| O4A | S4B | O4C | O4E | 114.1° | 112.6° |
| O4A | S4B | O4D | O4E | 113.4° | 123.1° |
| O4A | S4B | O4C | HO4 | 180.0° | 180.0° |
| O4C | S4B | O4D | O4E | 130.3° | 123.2° |
| O4D | S4B | O4C | HO4 | 64.4° | 67.4° |
| O4E | S4B | O4C | HO4 | 65.9° | 67.4° |
| C4F | O4G | C50 | C51 | 92.9° | 117.2° |
| C4F | O4G | C50 | C59 | 143.2° | 123.2° |
| C4F | O4G | C50 | H50 | 25.0° | 3.1° |
| H4F | C4F | O4G | C50 | 40.3° | 33.0° |
| O4G | C50 | C51 | C59 | 122.5° | 120.0° |
| O4G | C50 | C51 | H50 | 119.4° | 120.2° |
| O4G | C50 | C59 | H50 | 119.4° | 120.2° |
| O4G | C50 | C51 | O52 | 173.0° | 178.8° |
| O4G | C50 | C51 | C53 | 62.1° | 58.8° |
| O4G | C50 | C51 | H51 | 55.9° | 61.1° |
| O4G | C50 | C59 | O5A | 65.0° | 66.5° |
| O4G | C50 | C59 | C5F | 177.2° | 173.6° |
| O4G | C50 | C59 | H59 | 55.7° | 54.0° |
| C51 | C50 | C59 | H50 | 117.7° | 119.9° |
| C50 | C51 | O52 | C53 | 127.4° | 120.0° |
| C50 | C51 | O52 | H51 | 114.0° | 120.2° |
| C50 | C51 | C53 | H51 | 114.1° | 119.9° |
| C50 | C51 | O52 | C5L | 46.8° | 67.7° |
| C50 | C51 | C53 | O54 | 86.5° | 174.9° |
| C50 | C51 | C53 | H531 | 148.2° | 54.9° |
| C50 | C51 | C53 | H532 | 38.7° | 65.2° |
| C51 | C50 | C59 | O5A | 172.1° | 173.6° |
| C51 | C50 | C59 | C5F | 54.4° | 53.7° |
| C51 | C50 | C59 | H59 | 67.1° | 66.0° |
| C59 | C50 | C51 | O52 | 50.5° | 61.3° |
| C59 | C50 | C51 | C53 | 175.4° | 178.7° |
| C59 | C50 | C51 | H51 | 66.6° | 58.9° |
| C50 | C59 | O5A | C5F | 116.2° | 119.2° |
| C50 | C59 | O5A | H59 | 122.1° | 120.4° |
| C50 | C59 | C5F | H59 | 122.0° | 119.7° |
| C50 | C59 | O5A | S5B | 123.9° | 134.3° |
| C50 | C59 | C5F | O5G | 175.3° | 173.7° |
| C50 | C59 | C5F | C5L | 56.1° | 53.8° |
| C50 | C59 | C5F | H5F | 59.8° | 66.2° |
| H50 | C50 | C51 | O52 | 67.6° | 58.5° |
| H50 | C50 | C51 | C53 | 57.3° | 61.5° |
| H50 | C50 | C51 | H51 | 175.3° | 178.7° |
| H50 | C50 | C59 | O5A | 54.4° | 53.7° |
| H50 | C50 | C59 | C5F | 63.4° | 66.2° |
| H50 | C50 | C59 | H59 | 175.1° | 174.2° |
| O52 | C51 | C53 | H51 | 117.9° | 119.8° |
| O52 | C51 | C53 | O54 | 41.4° | 64.8° |
| O52 | C51 | C53 | H531 | 83.9° | 175.2° |
| O52 | C51 | C53 | H532 | 166.7° | 55.1° |
| C51 | O52 | C5L | C5F | 47.9° | 67.6° |
| C51 | O52 | C5L | O5M | 82.0° | 52.5° |
| C51 | O52 | C5L | H5L | 163.0° | 172.4° |
| C53 | C51 | O52 | C5L | 174.2° | 172.4° |
| C51 | C53 | O54 | H531 | 125.3° | 120.0° |
| C51 | C53 | O54 | H532 | 125.2° | 120.0° |
| C51 | C53 | H531 | H532 | 117.8° | 120.1° |
| C51 | C53 | O54 | S55 | 171.7° | 179.9° |
| H51 | C51 | O52 | C5L | 67.2° | 52.5° |
| H51 | C51 | C53 | O54 | 159.4° | 55.0° |
| H51 | C51 | C53 | H531 | 34.1° | 65.0° |
| H51 | C51 | C53 | H532 | 75.4° | 175.0° |
| O52 | C5L | C5F | C59 | 53.2° | 61.3° |
| O52 | C5L | C5F | O5G | 178.5° | 178.7° |
| O52 | C5L | C5F | O5M | 129.5° | 120.1° |
| O52 | C5L | C5F | H5L | 115.7° | 120.0° |
| O52 | C5L | C5F | H5F | 63.2° | 58.6° |
| O52 | C5L | O5M | H5L | 115.6° | 119.9° |
| O52 | C5L | O5M | C5N | 105.0° | 59.9° |
| O54 | C53 | H531 | H532 | 117.8° | 120.0° |
| C53 | O54 | S55 | O56 | 72.6° | 157.4° |
| C53 | O54 | S55 | O57 | 46.4° | 22.5° |
| C53 | O54 | S55 | O58 | 166.9° | 90.0° |
| H531 | C53 | O54 | S55 | 63.0° | 60.0° |
| H532 | C53 | O54 | S55 | 46.5° | 60.1° |
| O54 | S55 | O56 | O57 | 113.3° | 123.2° |
| O54 | S55 | O56 | O58 | 115.1° | 113.7° |
| O54 | S55 | O57 | O58 | 115.2° | 113.7° |
| O54 | S55 | O58 | H58 | 180.0° | 180.0° |
| O56 | S55 | O57 | O58 | 131.7° | 123.2° |
| O56 | S55 | O58 | H58 | 65.8° | 67.3° |
| O57 | S55 | O58 | H58 | 65.5° | 67.5° |
| O5A | C59 | C5F | H59 | 120.8° | 120.4° |
| C59 | O5A | S5B | O5C | 68.9° | 179.2° |
| C59 | O5A | S5B | O5D | 172.2° | 68.1° |
| C59 | O5A | S5B | O5E | 52.5° | 44.4° |
| O5A | C59 | C5F | O5G | 58.1° | 66.5° |
| O5A | C59 | C5F | C5L | 173.2° | 173.6° |
| O5A | C59 | C5F | H5F | 57.3° | 53.6° |
| C5F | C59 | O5A | S5B | 119.9° | 106.5° |
| C59 | C5F | O5G | C5L | 128.0° | 119.6° |
| C59 | C5F | O5G | H5F | 116.3° | 120.2° |
| C59 | C5F | C5L | H5F | 116.4° | 119.9° |
| C59 | C5F | O5G | S5H | 129.0° | 131.7° |
| C59 | C5F | C5L | O5M | 76.2° | 58.8° |
| C59 | C5F | C5L | H5L | 168.9° | 178.7° |
| H59 | C59 | O5A | S5B | 1.8° | 13.9° |
| H59 | C59 | C5F | O5G | 62.7° | 54.0° |
| H59 | C59 | C5F | C5L | 66.0° | 66.0° |
| H59 | C59 | C5F | H5F | 178.1° | 174.1° |
| O5A | S5B | O5C | O5D | 113.4° | 113.8° |
| O5A | S5B | O5C | O5E | 116.6° | 123.1° |
| O5A | S5B | O5D | O5E | 115.7° | 112.5° |
| O5A | S5B | O5D | HO5D | 180.0° | 179.9° |
| O5C | S5B | O5D | O5E | 130.7° | 134.8° |
| O5C | S5B | O5D | HO5D | 66.4° | 67.4° |
| O5E | S5B | O5D | HO5D | 64.3° | 67.4° |
| O5G | C5F | C5L | H5F | 115.3° | 120.1° |
| C5F | O5G | S5H | O5I | 87.6° | 70.7° |
| C5F | O5G | S5H | O5J | 31.6° | 176.7° |
| C5F | O5G | S5H | O5K | 151.5° | 41.9° |
| O5G | C5F | C5L | O5M | 52.1° | 61.2° |
| O5G | C5F | C5L | H5L | 62.8° | 58.7° |
| C5L | C5F | O5G | S5H | 103.0° | 108.6° |
| C5F | C5L | O5M | H5L | 115.0° | 119.9° |
| C5F | C5L | O5M | C5N | 125.6° | 179.8° |
| H5F | C5F | O5G | S5H | 12.7° | 11.5° |
| H5F | C5F | C5L | O5M | 167.4° | 178.7° |
| H5F | C5F | C5L | H5L | 52.5° | 61.4° |
| O5G | S5H | O5I | O5J | 113.2° | 112.6° |
| O5G | S5H | O5I | O5K | 115.6° | 112.6° |
| O5G | S5H | O5J | O5K | 115.4° | 123.1° |
| O5G | S5H | O5I | HO5I | 180.0° | 179.9° |
| O5I | S5H | O5J | O5K | 131.9° | 123.2° |
| O5J | S5H | O5I | HO5I | 66.8° | 67.3° |
| O5K | S5H | O5I | HO5I | 64.4° | 67.5° |
| C5L | O5M | C5N | H5N1 | 180.0° | 179.9° |
| C5L | O5M | C5N | H5N2 | 54.7° | 60.0° |
| C5L | O5M | C5N | H5N3 | 54.7° | 60.0° |
| H5L | C5L | O5M | C5N | 10.6° | 60.0° |
| O5M | C5N | H5N1 | H5N2 | 125.2° | 120.0° |
| O5M | C5N | H5N1 | H5N3 | 125.2° | 120.0° |
| O5M | C5N | H5N2 | H5N3 | 116.5° | 120.0° |
| H5N1 | C5N | H5N2 | H5N3 | 116.6° | 119.9° |
