PRD_900028
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C12 | sing | 1.43Å | 1.43Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C1B | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | O14 | sing | 1.43Å | 1.44Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| O14 | C1K | sing | 1.43Å | 1.44Å | |
| C15 | O16 | sing | 1.43Å | 1.43Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| O16 | S17 | sing | 1.52Å | 1.43Å | |
| S17 | O18 | sing | 1.52Å | 1.50Å | |
| S17 | O19 | doub | 1.42Å | 1.50Å | |
| S17 | O1A | doub | 1.42Å | 1.50Å | |
| O18 | HO18 | sing | 0.97Å | 0.95Å | |
| C1B | O1C | sing | 1.43Å | 1.43Å | |
| C1B | C1E | sing | 1.53Å | 1.53Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| O1C | HO1C | sing | 0.97Å | 0.95Å | |
| C1E | C1K | sing | 1.53Å | 1.53Å | |
| C1E | N1F | sing | 1.46Å | 1.47Å | |
| C1E | H1E | sing | 1.09Å | 1.10Å | |
| S1G | O1H | doub | 1.42Å | 1.50Å | |
| S1G | O1I | doub | 1.42Å | 1.50Å | |
| S1G | O1J | sing | 1.52Å | 1.50Å | |
| S1G | N1F | sing | 1.66Å | 1.63Å | |
| O1J | HO1J | sing | 0.97Å | 0.95Å | |
| C1K | O1L | sing | 1.43Å | 1.43Å | |
| C1K | H1K | sing | 1.09Å | 1.10Å | |
| O1L | C20 | sing | 1.43Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C26 | sing | 1.53Å | 1.53Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | O22 | sing | 1.43Å | 1.44Å | |
| C21 | C23 | sing | 1.51Å | 1.53Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| O22 | C2C | sing | 1.43Å | 1.44Å | |
| C23 | O24 | sing | 1.34Å | 1.25Å | |
| C23 | O25 | doub | 1.21Å | 1.25Å | |
| O24 | HO24 | sing | 0.97Å | 0.95Å | |
| C26 | O27 | sing | 1.43Å | 1.43Å | |
| C26 | C29 | sing | 1.53Å | 1.53Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| O27 | HO27 | sing | 0.97Å | 0.95Å | |
| C29 | O2A | sing | 1.43Å | 1.43Å | |
| C29 | C2C | sing | 1.53Å | 1.53Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| C2C | O2D | sing | 1.43Å | 1.44Å | |
| C2C | H2C | sing | 1.09Å | 1.10Å | |
| O2D | C30 | sing | 1.43Å | 1.44Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | C39 | sing | 1.53Å | 1.53Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | O32 | sing | 1.43Å | 1.44Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| O32 | C3L | sing | 1.43Å | 1.44Å | |
| C33 | O34 | sing | 1.43Å | 1.43Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| O34 | S35 | sing | 1.52Å | 1.43Å | |
| S35 | O36 | doub | 1.42Å | 1.50Å | |
| S35 | O37 | sing | 1.52Å | 1.50Å | |
| S35 | O38 | doub | 1.42Å | 1.50Å | |
| O37 | HO37 | sing | 0.97Å | 0.95Å | |
| C39 | O3A | sing | 1.43Å | 1.43Å | |
| C39 | C3F | sing | 1.53Å | 1.53Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| O3A | S3B | sing | 1.52Å | 1.43Å | |
| S3B | O3C | sing | 1.52Å | 1.50Å | |
| S3B | O3D | doub | 1.42Å | 1.50Å | |
| S3B | O3E | doub | 1.42Å | 1.50Å | |
| O3C | HO3C | sing | 0.97Å | 0.95Å | |
| C3F | C3L | sing | 1.53Å | 1.53Å | |
| C3F | N3G | sing | 1.46Å | 1.47Å | |
| C3F | H3F | sing | 1.09Å | 1.10Å | |
| S3H | O3I | sing | 1.52Å | 1.50Å | |
| S3H | O3J | doub | 1.42Å | 1.50Å | |
| S3H | O3K | doub | 1.42Å | 1.50Å | |
| S3H | N3G | sing | 1.66Å | 1.63Å | |
| O3I | HO3I | sing | 0.97Å | 0.95Å | |
| C3L | O3M | sing | 1.43Å | 1.44Å | |
| C3L | H3L | sing | 1.09Å | 1.10Å | |
| O3M | C40 | sing | 1.43Å | 1.44Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C40 | C46 | sing | 1.53Å | 1.53Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C41 | O42 | sing | 1.43Å | 1.44Å | |
| C41 | C43 | sing | 1.51Å | 1.53Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| O42 | C4F | sing | 1.43Å | 1.44Å | |
| C43 | O44 | sing | 1.34Å | 1.25Å | |
| C43 | O45 | doub | 1.21Å | 1.26Å | |
| O44 | HO44 | sing | 0.97Å | 0.95Å | |
| C46 | O47 | sing | 1.43Å | 1.43Å | |
| C46 | C49 | sing | 1.53Å | 1.53Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| O47 | HO47 | sing | 0.97Å | 0.95Å | |
| C49 | O4A | sing | 1.43Å | 1.43Å | |
| C49 | C4F | sing | 1.53Å | 1.53Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| O4A | S4B | sing | 1.52Å | 1.43Å | |
| S4B | O4C | sing | 1.52Å | 1.50Å | |
| S4B | O4D | doub | 1.42Å | 1.50Å | |
| S4B | O4E | doub | 1.42Å | 1.50Å | |
| O4C | HO4C | sing | 0.97Å | 0.95Å | |
| C4F | O4G | sing | 1.43Å | 1.44Å | |
| C4F | H4F | sing | 1.09Å | 1.10Å | |
| O4G | C50 | sing | 1.43Å | 1.44Å | |
| C50 | C51 | sing | 1.53Å | 1.52Å | |
| C50 | C59 | sing | 1.53Å | 1.53Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C51 | O52 | sing | 1.43Å | 1.44Å | |
| C51 | C53 | sing | 1.53Å | 1.53Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| O52 | C5L | sing | 1.43Å | 1.44Å | |
| C53 | O54 | sing | 1.43Å | 1.43Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| O54 | S55 | sing | 1.52Å | 1.43Å | |
| S55 | O56 | doub | 1.42Å | 1.50Å | |
| S55 | O57 | sing | 1.52Å | 1.50Å | |
| S55 | O58 | doub | 1.42Å | 1.50Å | |
| O57 | HO57 | sing | 0.97Å | 0.95Å | |
| C59 | O5A | sing | 1.43Å | 1.43Å | |
| C59 | C5F | sing | 1.53Å | 1.53Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| O5A | HO5A | sing | 0.97Å | 0.95Å | |
| C5F | C5L | sing | 1.53Å | 1.53Å | |
| C5F | N5G | sing | 1.47Å | 1.47Å | |
| C5F | H5F | sing | 1.09Å | 1.10Å | |
| S5H | O5I | doub | 1.42Å | 1.50Å | |
| S5H | O5J | doub | 1.42Å | 1.50Å | |
| S5H | O5K | sing | 1.52Å | 1.50Å | |
| S5H | N5G | sing | 1.66Å | 1.63Å | |
| O5K | HO5K | sing | 0.97Å | 0.95Å | |
| C5L | O5M | sing | 1.43Å | 1.44Å | |
| C5L | H5L | sing | 1.09Å | 1.10Å | |
| O5M | C5N | sing | 1.43Å | 1.43Å | |
| C5N | H5N1 | sing | 1.09Å | 1.10Å | |
| C5N | H5N2 | sing | 1.09Å | 1.10Å | |
| C5N | H5N3 | sing | 1.09Å | 1.10Å | |
| N5G | HN5G | sing | 0.97Å | 1.00Å | |
| N3G | HN3G | sing | 0.97Å | 1.00Å | |
| N1F | HN1F | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | O10 | HO10 | 109.5° | 106.9° |
| O10 | C12 | C13 | 108.6° | 109.6° |
| O10 | C12 | C1B | 109.1° | 109.6° |
| O10 | C12 | H12 | 111.1° | 109.5° |
| C13 | C12 | C1B | 111.8° | 109.0° |
| C13 | C12 | H12 | 108.4° | 109.5° |
| C12 | C13 | O14 | 111.0° | 109.8° |
| C12 | C13 | C15 | 106.0° | 109.3° |
| C12 | C13 | H13 | 109.9° | 109.4° |
| C1B | C12 | H12 | 107.9° | 109.5° |
| C12 | C1B | O1C | 108.6° | 109.6° |
| C12 | C1B | C1E | 109.5° | 108.6° |
| C12 | C1B | H1B | 109.8° | 109.6° |
| O14 | C13 | C15 | 106.7° | 109.4° |
| O14 | C13 | H13 | 109.2° | 109.5° |
| C13 | O14 | C1K | 111.4° | 107.6° |
| C15 | C13 | H13 | 113.9° | 109.4° |
| C13 | C15 | O16 | 111.8° | 109.5° |
| C13 | C15 | H151 | 108.7° | 109.5° |
| C13 | C15 | H152 | 108.2° | 109.4° |
| O14 | C1K | C1E | 108.4° | 109.8° |
| O14 | C1K | O1L | 109.3° | 109.4° |
| O14 | C1K | H1K | 110.6° | 109.4° |
| O16 | C15 | H151 | 108.7° | 109.5° |
| O16 | C15 | H152 | 108.2° | 109.4° |
| C15 | O16 | S17 | 119.4° | 106.8° |
| H151 | C15 | H152 | 111.3° | 109.5° |
| O16 | S17 | O18 | 109.0° | 107.4° |
| O16 | S17 | O19 | 109.7° | 105.7° |
| O16 | S17 | O1A | 109.6° | 105.8° |
| O18 | S17 | O19 | 109.9° | 105.8° |
| O18 | S17 | O1A | 109.7° | 105.8° |
| S17 | O18 | HO18 | 109.5° | 106.8° |
| O19 | S17 | O1A | 109.0° | 125.3° |
| O1C | C1B | C1E | 108.9° | 109.8° |
| O1C | C1B | H1B | 110.4° | 109.6° |
| C1B | O1C | HO1C | 109.5° | 106.8° |
| C1E | C1B | H1B | 109.6° | 109.6° |
| C1B | C1E | C1K | 109.3° | 109.1° |
| C1B | C1E | N1F | 110.2° | 109.6° |
| C1B | C1E | H1E | 109.5° | 109.5° |
| C1K | C1E | N1F | 110.7° | 109.5° |
| C1K | C1E | H1E | 109.0° | 109.6° |
| C1E | C1K | O1L | 110.3° | 109.4° |
| C1E | C1K | H1K | 109.6° | 109.4° |
| N1F | C1E | H1E | 108.1° | 109.5° |
| C1E | N1F | S1G | 107.8° | 120.0° |
| C1E | N1F | HN1F | 110.0° | 120.0° |
| O1H | S1G | O1I | 109.5° | 125.4° |
| O1H | S1G | O1J | 109.6° | 105.8° |
| O1H | S1G | N1F | 109.6° | 105.8° |
| O1I | S1G | O1J | 108.6° | 105.7° |
| O1I | S1G | N1F | 109.2° | 105.7° |
| O1J | S1G | N1F | 110.4° | 107.4° |
| S1G | O1J | HO1J | 109.5° | 106.7° |
| S1G | N1F | HN1F | 110.0° | 120.0° |
| O1L | C1K | H1K | 108.6° | 109.4° |
| C1K | O1L | C20 | 109.6° | 106.8° |
| O1L | C20 | C21 | 109.7° | 109.6° |
| O1L | C20 | C26 | 110.5° | 109.6° |
| O1L | C20 | H20 | 108.9° | 109.5° |
| C21 | C20 | C26 | 110.2° | 109.0° |
| C21 | C20 | H20 | 109.2° | 109.5° |
| C20 | C21 | O22 | 111.7° | 109.8° |
| C20 | C21 | C23 | 108.2° | 109.4° |
| C20 | C21 | H21 | 108.6° | 109.4° |
| C26 | C20 | H20 | 108.3° | 109.6° |
| C20 | C26 | O27 | 110.4° | 109.6° |
| C20 | C26 | C29 | 109.3° | 108.6° |
| C20 | C26 | H26 | 109.1° | 109.6° |
| O22 | C21 | C23 | 108.7° | 109.4° |
| O22 | C21 | H21 | 108.1° | 109.4° |
| C21 | O22 | C2C | 112.4° | 107.6° |
| C23 | C21 | H21 | 111.6° | 109.4° |
| C21 | C23 | O24 | 117.7° | 120.0° |
| C21 | C23 | O25 | 118.4° | 120.0° |
| O22 | C2C | C29 | 109.4° | 109.8° |
| O22 | C2C | O2D | 109.9° | 109.4° |
| O22 | C2C | H2C | 109.3° | 109.4° |
| O24 | C23 | O25 | 123.9° | 120.0° |
| C23 | O24 | HO24 | 109.5° | 120.0° |
| O27 | C26 | C29 | 109.7° | 109.7° |
| O27 | C26 | H26 | 108.6° | 109.6° |
| C26 | O27 | HO27 | 109.5° | 106.8° |
| C29 | C26 | H26 | 109.8° | 109.7° |
| C26 | C29 | O2A | 109.9° | 109.6° |
| C26 | C29 | C2C | 110.0° | 109.0° |
| C26 | C29 | H29 | 109.1° | 109.5° |
| O2A | C29 | C2C | 110.2° | 109.6° |
| O2A | C29 | H29 | 108.9° | 109.6° |
| C29 | O2A | HO2A | 109.5° | 106.8° |
| C2C | C29 | H29 | 108.7° | 109.6° |
| C29 | C2C | O2D | 109.7° | 109.4° |
| C29 | C2C | H2C | 109.5° | 109.4° |
| O2D | C2C | H2C | 109.1° | 109.4° |
| C2C | O2D | C30 | 112.3° | 106.8° |
| O2D | C30 | C31 | 108.7° | 109.5° |
| O2D | C30 | C39 | 110.9° | 109.6° |
| O2D | C30 | H30 | 109.1° | 109.5° |
| C31 | C30 | C39 | 109.6° | 109.0° |
| C31 | C30 | H30 | 110.3° | 109.6° |
| C30 | C31 | O32 | 111.8° | 109.8° |
| C30 | C31 | C33 | 108.4° | 109.4° |
| C30 | C31 | H31 | 109.0° | 109.5° |
| C39 | C30 | H30 | 108.2° | 109.6° |
| C30 | C39 | O3A | 109.9° | 109.6° |
| C30 | C39 | C3F | 110.5° | 108.6° |
| C30 | C39 | H39 | 108.5° | 109.6° |
| O32 | C31 | C33 | 110.6° | 109.4° |
| O32 | C31 | H31 | 106.8° | 109.4° |
| C31 | O32 | C3L | 111.9° | 107.6° |
| C33 | C31 | H31 | 110.2° | 109.4° |
| C31 | C33 | O34 | 112.2° | 109.5° |
| C31 | C33 | H331 | 108.6° | 109.5° |
| C31 | C33 | H332 | 107.9° | 109.5° |
| O32 | C3L | C3F | 107.2° | 109.7° |
| O32 | C3L | O3M | 111.6° | 109.5° |
| O32 | C3L | H3L | 109.1° | 109.4° |
| O34 | C33 | H331 | 108.6° | 109.5° |
| O34 | C33 | H332 | 108.0° | 109.5° |
| C33 | O34 | S35 | 121.0° | 106.8° |
| H331 | C33 | H332 | 111.6° | 109.5° |
| O34 | S35 | O36 | 110.2° | 105.8° |
| O34 | S35 | O37 | 109.8° | 107.4° |
| O34 | S35 | O38 | 109.7° | 105.8° |
| O36 | S35 | O37 | 109.2° | 105.7° |
| O36 | S35 | O38 | 108.5° | 125.3° |
| O37 | S35 | O38 | 109.4° | 105.8° |
| S35 | O37 | HO37 | 109.5° | 106.8° |
| O3A | C39 | C3F | 109.3° | 109.7° |
| O3A | C39 | H39 | 109.7° | 109.6° |
| C39 | O3A | S3B | 109.8° | 106.8° |
| C3F | C39 | H39 | 109.1° | 109.6° |
| C39 | C3F | C3L | 108.7° | 109.0° |
| C39 | C3F | N3G | 109.6° | 109.6° |
| C39 | C3F | H3F | 110.3° | 109.5° |
| O3A | S3B | O3C | 109.9° | 107.4° |
| O3A | S3B | O3D | 109.5° | 105.8° |
| O3A | S3B | O3E | 109.4° | 105.7° |
| O3C | S3B | O3D | 109.5° | 105.8° |
| O3C | S3B | O3E | 109.2° | 105.7° |
| S3B | O3C | HO3C | 109.5° | 106.8° |
| O3D | S3B | O3E | 109.3° | 125.4° |
| C3L | C3F | N3G | 110.5° | 109.6° |
| C3L | C3F | H3F | 109.3° | 109.6° |
| C3F | C3L | O3M | 107.8° | 109.4° |
| C3F | C3L | H3L | 112.7° | 109.4° |
| N3G | C3F | H3F | 108.5° | 109.6° |
| C3F | N3G | S3H | 112.0° | 120.0° |
| C3F | N3G | HN3G | 108.6° | 120.0° |
| O3I | S3H | O3J | 109.2° | 105.8° |
| O3I | S3H | O3K | 109.9° | 105.8° |
| O3I | S3H | N3G | 109.5° | 107.4° |
| S3H | O3I | HO3I | 109.5° | 106.8° |
| O3J | S3H | O3K | 108.3° | 125.3° |
| O3J | S3H | N3G | 109.9° | 105.8° |
| O3K | S3H | N3G | 110.0° | 105.8° |
| S3H | N3G | HN3G | 108.6° | 120.0° |
| O3M | C3L | H3L | 108.4° | 109.5° |
| C3L | O3M | C40 | 113.7° | 106.8° |
| O3M | C40 | C41 | 110.8° | 109.6° |
| O3M | C40 | C46 | 109.7° | 109.6° |
| O3M | C40 | H40 | 108.4° | 109.6° |
| C41 | C40 | C46 | 109.3° | 109.0° |
| C41 | C40 | H40 | 108.8° | 109.6° |
| C40 | C41 | O42 | 110.3° | 109.8° |
| C40 | C41 | C43 | 109.0° | 109.4° |
| C40 | C41 | H41 | 109.1° | 109.4° |
| C46 | C40 | H40 | 109.9° | 109.5° |
| C40 | C46 | O47 | 109.1° | 109.7° |
| C40 | C46 | C49 | 110.5° | 108.6° |
| C40 | C46 | H46 | 108.9° | 109.6° |
| O42 | C41 | C43 | 109.1° | 109.4° |
| O42 | C41 | H41 | 109.0° | 109.4° |
| C41 | O42 | C4F | 111.6° | 107.6° |
| C43 | C41 | H41 | 110.3° | 109.4° |
| C41 | C43 | O44 | 118.3° | 120.0° |
| C41 | C43 | O45 | 117.6° | 120.1° |
| O42 | C4F | C49 | 111.6° | 109.7° |
| O42 | C4F | O4G | 112.2° | 109.4° |
| O42 | C4F | H4F | 106.2° | 109.4° |
| O44 | C43 | O45 | 124.1° | 120.0° |
| C43 | O44 | HO44 | 109.5° | 120.0° |
| O47 | C46 | C49 | 109.0° | 109.8° |
| O47 | C46 | H46 | 110.4° | 109.6° |
| C46 | O47 | HO47 | 109.5° | 106.9° |
| C49 | C46 | H46 | 109.0° | 109.6° |
| C46 | C49 | O4A | 110.5° | 109.6° |
| C46 | C49 | C4F | 110.2° | 109.1° |
| C46 | C49 | H49 | 108.4° | 109.6° |
| O4A | C49 | C4F | 109.7° | 109.7° |
| O4A | C49 | H49 | 108.8° | 109.5° |
| C49 | O4A | S4B | 112.4° | 106.8° |
| C4F | C49 | H49 | 109.1° | 109.4° |
| C49 | C4F | O4G | 109.9° | 109.4° |
| C49 | C4F | H4F | 108.7° | 109.4° |
| O4A | S4B | O4C | 110.1° | 107.4° |
| O4A | S4B | O4D | 109.9° | 105.8° |
| O4A | S4B | O4E | 108.8° | 105.8° |
| O4C | S4B | O4D | 109.5° | 105.8° |
| O4C | S4B | O4E | 109.1° | 105.7° |
| S4B | O4C | HO4C | 109.5° | 106.8° |
| O4D | S4B | O4E | 109.4° | 125.4° |
| O4G | C4F | H4F | 108.0° | 109.4° |
| C4F | O4G | C50 | 110.1° | 106.8° |
| O4G | C50 | C51 | 110.8° | 109.6° |
| O4G | C50 | C59 | 109.1° | 109.6° |
| O4G | C50 | H50 | 107.9° | 109.6° |
| C51 | C50 | C59 | 106.4° | 109.0° |
| C51 | C50 | H50 | 110.5° | 109.5° |
| C50 | C51 | O52 | 109.2° | 109.8° |
| C50 | C51 | C53 | 110.7° | 109.3° |
| C50 | C51 | H51 | 108.4° | 109.4° |
| C59 | C50 | H50 | 112.1° | 109.5° |
| C50 | C59 | O5A | 109.3° | 109.6° |
| C50 | C59 | C5F | 109.4° | 108.6° |
| C50 | C59 | H59 | 109.7° | 109.6° |
| O52 | C51 | C53 | 108.3° | 109.4° |
| O52 | C51 | H51 | 110.8° | 109.4° |
| C51 | O52 | C5L | 111.3° | 107.6° |
| C53 | C51 | H51 | 109.3° | 109.4° |
| C51 | C53 | O54 | 111.3° | 109.5° |
| C51 | C53 | H531 | 108.9° | 109.5° |
| C51 | C53 | H532 | 108.4° | 109.5° |
| O52 | C5L | C5F | 110.7° | 109.8° |
| O52 | C5L | O5M | 110.1° | 109.4° |
| O52 | C5L | H5L | 108.8° | 109.4° |
| O54 | C53 | H531 | 108.9° | 109.5° |
| O54 | C53 | H532 | 108.5° | 109.5° |
| C53 | O54 | S55 | 119.0° | 106.8° |
| H531 | C53 | H532 | 110.9° | 109.4° |
| O54 | S55 | O56 | 109.1° | 105.8° |
| O54 | S55 | O57 | 109.4° | 107.4° |
| O54 | S55 | O58 | 109.7° | 105.8° |
| O56 | S55 | O57 | 109.7° | 105.8° |
| O56 | S55 | O58 | 109.8° | 125.4° |
| O57 | S55 | O58 | 109.2° | 105.7° |
| S55 | O57 | HO57 | 109.5° | 106.8° |
| O5A | C59 | C5F | 109.6° | 109.7° |
| O5A | C59 | H59 | 109.5° | 109.7° |
| C59 | O5A | HO5A | 109.5° | 106.8° |
| C5F | C59 | H59 | 109.4° | 109.6° |
| C59 | C5F | C5L | 110.2° | 109.1° |
| C59 | C5F | N5G | 109.7° | 109.5° |
| C59 | C5F | H5F | 109.0° | 109.5° |
| C5L | C5F | N5G | 110.3° | 109.5° |
| C5L | C5F | H5F | 108.5° | 109.6° |
| C5F | C5L | O5M | 111.2° | 109.5° |
| C5F | C5L | H5L | 107.6° | 109.4° |
| N5G | C5F | H5F | 109.0° | 109.6° |
| C5F | N5G | S5H | 111.0° | 120.0° |
| C5F | N5G | HN5G | 109.0° | 120.0° |
| O5I | S5H | O5J | 109.6° | 125.4° |
| O5I | S5H | O5K | 109.2° | 105.8° |
| O5I | S5H | N5G | 109.1° | 105.7° |
| O5J | S5H | O5K | 109.6° | 105.8° |
| O5J | S5H | N5G | 109.5° | 105.7° |
| O5K | S5H | N5G | 109.8° | 107.4° |
| S5H | O5K | HO5K | 109.5° | 106.8° |
| S5H | N5G | HN5G | 109.0° | 120.0° |
| O5M | C5L | H5L | 108.3° | 109.4° |
| C5L | O5M | C5N | 108.9° | 106.8° |
| O5M | C5N | H5N1 | 109.5° | 109.5° |
| O5M | C5N | H5N2 | 109.5° | 109.5° |
| O5M | C5N | H5N3 | 109.5° | 109.5° |
| H5N1 | C5N | H5N2 | 109.5° | 109.4° |
| H5N1 | C5N | H5N3 | 109.4° | 109.4° |
| H5N2 | C5N | H5N3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C12 | C13 | C1B | 120.4° | 120.0° |
| O10 | C12 | C13 | H12 | 120.8° | 120.2° |
| O10 | C12 | C1B | H12 | 120.8° | 120.2° |
| O10 | C12 | C13 | O14 | 172.7° | 178.8° |
| O10 | C12 | C13 | C15 | 71.8° | 58.7° |
| O10 | C12 | C13 | H13 | 51.8° | 61.1° |
| O10 | C12 | C1B | O1C | 71.1° | 66.4° |
| O10 | C12 | C1B | C1E | 170.1° | 173.6° |
| O10 | C12 | C1B | H1B | 49.7° | 53.9° |
| HO10 | O10 | C12 | C13 | 94.4° | 60.0° |
| HO10 | O10 | C12 | C1B | 143.4° | 179.6° |
| HO10 | O10 | C12 | H12 | 24.7° | 60.2° |
| C13 | C12 | C1B | H12 | 119.1° | 119.9° |
| C12 | C13 | O14 | C15 | 115.1° | 120.0° |
| C12 | C13 | O14 | H13 | 121.3° | 120.1° |
| C12 | C13 | C15 | H13 | 121.0° | 119.8° |
| C12 | C13 | O14 | C1K | 60.7° | 67.6° |
| C12 | C13 | C15 | O16 | 169.5° | 175.6° |
| C12 | C13 | C15 | H151 | 49.5° | 55.6° |
| C12 | C13 | C15 | H152 | 71.4° | 64.4° |
| C13 | C12 | C1B | O1C | 168.7° | 173.7° |
| C13 | C12 | C1B | C1E | 49.9° | 53.7° |
| C13 | C12 | C1B | H1B | 70.5° | 66.0° |
| C1B | C12 | C13 | O14 | 52.2° | 61.3° |
| C1B | C12 | C13 | C15 | 167.8° | 178.7° |
| C1B | C12 | C13 | H13 | 68.7° | 58.9° |
| C12 | C1B | O1C | C1E | 119.2° | 119.3° |
| C12 | C1B | O1C | H1B | 120.4° | 120.3° |
| C12 | C1B | C1E | H1B | 120.5° | 119.7° |
| C12 | C1B | O1C | HO1C | 152.4° | 59.9° |
| C12 | C1B | C1E | C1K | 54.8° | 53.7° |
| C12 | C1B | C1E | N1F | 176.6° | 173.6° |
| C12 | C1B | C1E | H1E | 64.5° | 66.2° |
| H12 | C12 | C13 | O14 | 66.5° | 58.6° |
| H12 | C12 | C13 | C15 | 49.0° | 61.5° |
| H12 | C12 | C13 | H13 | 172.5° | 178.7° |
| H12 | C12 | C1B | O1C | 49.6° | 53.8° |
| H12 | C12 | C1B | C1E | 69.2° | 66.2° |
| H12 | C12 | C1B | H1B | 170.5° | 174.1° |
| O14 | C13 | C15 | H13 | 120.6° | 119.9° |
| O14 | C13 | C15 | O16 | 51.2° | 64.1° |
| O14 | C13 | C15 | H151 | 68.8° | 175.8° |
| O14 | C13 | C15 | H152 | 170.2° | 55.8° |
| C13 | O14 | C1K | C1E | 65.9° | 67.6° |
| C13 | O14 | C1K | O1L | 54.4° | 52.5° |
| C13 | O14 | C1K | H1K | 174.0° | 172.4° |
| C15 | C13 | O14 | C1K | 175.7° | 172.4° |
| C13 | C15 | O16 | H151 | 120.0° | 120.0° |
| C13 | C15 | O16 | H152 | 119.0° | 119.9° |
| C13 | C15 | H151 | H152 | 119.0° | 120.0° |
| C13 | C15 | O16 | S17 | 167.5° | 180.0° |
| H13 | C13 | O14 | C1K | 60.7° | 52.5° |
| H13 | C13 | C15 | O16 | 69.5° | 55.8° |
| H13 | C13 | C15 | H151 | 170.5° | 64.3° |
| H13 | C13 | C15 | H152 | 49.6° | 175.7° |
| O14 | C1K | C1E | C1B | 62.6° | 61.2° |
| O14 | C1K | C1E | O1L | 119.7° | 120.1° |
| O14 | C1K | C1E | H1K | 120.8° | 120.0° |
| O14 | C1K | C1E | N1F | 175.9° | 178.8° |
| O14 | C1K | C1E | H1E | 57.1° | 58.6° |
| O14 | C1K | O1L | H1K | 120.8° | 119.8° |
| O14 | C1K | O1L | C20 | 101.1° | 68.9° |
| O16 | C15 | H151 | H152 | 119.0° | 120.0° |
| C15 | O16 | S17 | O18 | 88.2° | 75.0° |
| C15 | O16 | S17 | O19 | 32.2° | 172.4° |
| C15 | O16 | S17 | O1A | 151.8° | 37.6° |
| H151 | C15 | O16 | S17 | 47.5° | 60.0° |
| H152 | C15 | O16 | S17 | 73.5° | 60.1° |
| O16 | S17 | O18 | O19 | 120.2° | 112.6° |
| O16 | S17 | O18 | O1A | 120.0° | 112.7° |
| O16 | S17 | O19 | O1A | 120.0° | 123.2° |
| O16 | S17 | O18 | HO18 | 43.6° | 179.9° |
| O18 | S17 | O19 | O1A | 120.2° | 123.1° |
| O19 | S17 | O18 | HO18 | 163.8° | 67.4° |
| O1A | S17 | O18 | HO18 | 76.5° | 67.4° |
| O1C | C1B | C1E | H1B | 120.8° | 120.4° |
| O1C | C1B | C1E | C1K | 173.5° | 173.6° |
| O1C | C1B | C1E | N1F | 64.7° | 66.5° |
| O1C | C1B | C1E | H1E | 54.1° | 53.7° |
| C1E | C1B | O1C | HO1C | 33.1° | 179.2° |
| C1B | C1E | C1K | N1F | 121.5° | 120.0° |
| C1B | C1E | C1K | H1E | 119.7° | 119.9° |
| C1B | C1E | N1F | H1E | 119.7° | 120.2° |
| C1B | C1E | N1F | S1G | 95.4° | 145.0° |
| C1B | C1E | C1K | O1L | 57.1° | 58.8° |
| C1B | C1E | C1K | H1K | 176.6° | 178.7° |
| C1B | C1E | N1F | HN1F | 24.5° | 35.0° |
| H1B | C1B | O1C | HO1C | 87.2° | 60.4° |
| H1B | C1B | C1E | C1K | 65.6° | 66.0° |
| H1B | C1B | C1E | N1F | 56.2° | 53.9° |
| H1B | C1B | C1E | H1E | 175.0° | 174.1° |
| C1K | C1E | N1F | H1E | 119.3° | 120.2° |
| C1K | C1E | N1F | S1G | 143.6° | 95.4° |
| C1E | C1K | O1L | H1K | 120.2° | 119.9° |
| C1E | C1K | O1L | C20 | 139.9° | 170.8° |
| C1K | C1E | N1F | HN1F | 96.4° | 84.7° |
| C1E | N1F | S1G | O1H | 63.6° | 47.6° |
| C1E | N1F | S1G | O1I | 56.3° | 177.5° |
| C1E | N1F | S1G | O1J | 175.6° | 65.0° |
| C1E | N1F | S1G | HN1F | 120.0° | 179.9° |
| N1F | C1E | C1K | O1L | 64.4° | 61.1° |
| N1F | C1E | C1K | H1K | 55.1° | 58.7° |
| H1E | C1E | N1F | S1G | 24.2° | 24.8° |
| H1E | C1E | C1K | O1L | 176.8° | 178.7° |
| H1E | C1E | C1K | H1K | 63.7° | 61.4° |
| H1E | C1E | N1F | HN1F | 144.2° | 155.1° |
| O1H | S1G | O1I | O1J | 119.6° | 123.1° |
| O1H | S1G | O1I | N1F | 120.0° | 123.2° |
| O1H | S1G | O1J | N1F | 120.8° | 112.6° |
| O1H | S1G | O1J | HO1J | 155.6° | 67.4° |
| O1H | S1G | N1F | HN1F | 56.4° | 132.5° |
| O1I | S1G | O1J | N1F | 119.6° | 112.6° |
| O1I | S1G | O1J | HO1J | 84.9° | 67.5° |
| O1I | S1G | N1F | HN1F | 176.3° | 2.4° |
| O1J | S1G | N1F | HN1F | 64.4° | 114.9° |
| N1F | S1G | O1J | HO1J | 34.7° | 180.0° |
| C1K | O1L | C20 | C21 | 157.5° | 156.4° |
| C1K | O1L | C20 | C26 | 80.8° | 84.0° |
| C1K | O1L | C20 | H20 | 38.1° | 36.2° |
| H1K | C1K | O1L | C20 | 19.7° | 50.9° |
| O1L | C20 | C21 | C26 | 121.9° | 120.0° |
| O1L | C20 | C21 | H20 | 119.3° | 120.2° |
| O1L | C20 | C26 | H20 | 119.2° | 120.2° |
| O1L | C20 | C21 | O22 | 177.0° | 178.8° |
| O1L | C20 | C21 | C23 | 63.4° | 58.7° |
| O1L | C20 | C21 | H21 | 57.9° | 61.1° |
| O1L | C20 | C26 | O27 | 64.7° | 66.4° |
| O1L | C20 | C26 | C29 | 174.6° | 173.7° |
| O1L | C20 | C26 | H26 | 54.6° | 53.9° |
| C21 | C20 | C26 | H20 | 119.4° | 119.8° |
| C20 | C21 | O22 | C23 | 119.3° | 120.0° |
| C20 | C21 | O22 | H21 | 119.4° | 120.1° |
| C20 | C21 | C23 | H21 | 119.4° | 119.8° |
| C20 | C21 | O22 | C2C | 59.9° | 67.6° |
| C20 | C21 | C23 | O24 | 84.5° | 76.3° |
| C20 | C21 | C23 | O25 | 95.4° | 103.7° |
| C21 | C20 | C26 | O27 | 174.0° | 173.6° |
| C21 | C20 | C26 | C29 | 53.2° | 53.7° |
| C21 | C20 | C26 | H26 | 66.8° | 66.0° |
| C26 | C20 | C21 | O22 | 55.1° | 61.3° |
| C26 | C20 | C21 | C23 | 174.8° | 178.7° |
| C26 | C20 | C21 | H21 | 64.0° | 58.9° |
| C20 | C26 | O27 | C29 | 120.5° | 119.2° |
| C20 | C26 | O27 | H26 | 119.5° | 120.3° |
| C20 | C26 | C29 | H26 | 119.6° | 119.7° |
| C20 | C26 | O27 | HO27 | 146.6° | 179.9° |
| C20 | C26 | C29 | O2A | 177.1° | 173.7° |
| C20 | C26 | C29 | C2C | 55.6° | 53.8° |
| C20 | C26 | C29 | H29 | 63.6° | 66.1° |
| H20 | C20 | C21 | O22 | 63.8° | 58.6° |
| H20 | C20 | C21 | C23 | 55.9° | 61.5° |
| H20 | C20 | C21 | H21 | 177.1° | 178.7° |
| H20 | C20 | C26 | O27 | 54.5° | 53.8° |
| H20 | C20 | C26 | C29 | 66.2° | 66.1° |
| H20 | C20 | C26 | H26 | 173.8° | 174.1° |
| O22 | C21 | C23 | H21 | 119.1° | 119.8° |
| O22 | C21 | C23 | O24 | 36.9° | 163.3° |
| O22 | C21 | C23 | O25 | 143.1° | 16.6° |
| C21 | O22 | C2C | C29 | 61.2° | 67.6° |
| C21 | O22 | C2C | O2D | 178.4° | 172.3° |
| C21 | O22 | C2C | H2C | 58.7° | 52.5° |
| C23 | C21 | O22 | C2C | 179.2° | 172.4° |
| C21 | C23 | O24 | O25 | 180.0° | 179.9° |
| C21 | C23 | O24 | HO24 | 179.9° | 175.2° |
| H21 | C21 | O22 | C2C | 59.5° | 52.6° |
| H21 | C21 | C23 | O24 | 156.0° | 43.5° |
| H21 | C21 | C23 | O25 | 24.0° | 136.4° |
| O22 | C2C | C29 | C26 | 59.1° | 61.3° |
| O22 | C2C | C29 | O2A | 179.6° | 178.8° |
| O22 | C2C | C29 | O2D | 120.5° | 120.1° |
| O22 | C2C | C29 | H2C | 119.8° | 120.0° |
| O22 | C2C | C29 | H29 | 60.3° | 58.5° |
| O22 | C2C | O2D | H2C | 119.8° | 119.8° |
| O22 | C2C | O2D | C30 | 85.9° | 69.3° |
| O25 | C23 | O24 | HO24 | 0.0° | 4.9° |
| O27 | C26 | C29 | H26 | 119.3° | 120.5° |
| O27 | C26 | C29 | O2A | 61.7° | 66.5° |
| O27 | C26 | C29 | C2C | 176.7° | 173.6° |
| O27 | C26 | C29 | H29 | 57.6° | 53.7° |
| C29 | C26 | O27 | HO27 | 26.1° | 60.7° |
| C26 | C29 | O2A | C2C | 121.4° | 119.6° |
| C26 | C29 | O2A | H29 | 119.4° | 120.2° |
| C26 | C29 | C2C | H29 | 119.4° | 119.9° |
| C26 | C29 | O2A | HO2A | 177.3° | 180.0° |
| C26 | C29 | C2C | O2D | 179.6° | 178.6° |
| C26 | C29 | C2C | H2C | 60.7° | 58.7° |
| H26 | C26 | O27 | HO27 | 93.9° | 59.7° |
| H26 | C26 | C29 | O2A | 57.5° | 53.9° |
| H26 | C26 | C29 | C2C | 64.0° | 66.0° |
| H26 | C26 | C29 | H29 | 176.8° | 174.1° |
| O2A | C29 | C2C | H29 | 119.3° | 120.3° |
| O2A | C29 | C2C | O2D | 59.1° | 58.7° |
| O2A | C29 | C2C | H2C | 60.6° | 61.2° |
| C2C | C29 | O2A | HO2A | 55.9° | 60.4° |
| C29 | C2C | O2D | H2C | 120.0° | 119.8° |
| C29 | C2C | O2D | C30 | 153.9° | 170.3° |
| H29 | C29 | O2A | HO2A | 63.3° | 59.9° |
| H29 | C29 | C2C | O2D | 60.2° | 61.6° |
| H29 | C29 | C2C | H2C | 179.9° | 178.6° |
| C2C | O2D | C30 | C31 | 121.3° | 113.3° |
| C2C | O2D | C30 | C39 | 118.2° | 127.2° |
| C2C | O2D | C30 | H30 | 0.9° | 7.0° |
| H2C | C2C | O2D | C30 | 33.9° | 50.5° |
| O2D | C30 | C31 | C39 | 121.3° | 119.9° |
| O2D | C30 | C31 | H30 | 119.6° | 120.2° |
| O2D | C30 | C39 | H30 | 119.6° | 120.2° |
| O2D | C30 | C31 | O32 | 174.2° | 178.8° |
| O2D | C30 | C31 | C33 | 63.6° | 58.7° |
| O2D | C30 | C31 | H31 | 56.4° | 61.1° |
| O2D | C30 | C39 | O3A | 67.9° | 66.4° |
| O2D | C30 | C39 | C3F | 171.5° | 173.7° |
| O2D | C30 | C39 | H39 | 52.0° | 53.9° |
| C31 | C30 | C39 | H30 | 120.4° | 119.9° |
| C30 | C31 | O32 | C33 | 121.0° | 120.0° |
| C30 | C31 | O32 | H31 | 119.1° | 120.1° |
| C30 | C31 | C33 | H31 | 119.2° | 119.9° |
| C30 | C31 | O32 | C3L | 61.7° | 67.6° |
| C30 | C31 | C33 | O34 | 57.2° | 173.9° |
| C30 | C31 | C33 | H331 | 62.8° | 53.9° |
| C30 | C31 | C33 | H332 | 176.1° | 66.1° |
| C31 | C30 | C39 | O3A | 172.1° | 173.7° |
| C31 | C30 | C39 | C3F | 51.4° | 53.8° |
| C31 | C30 | C39 | H39 | 68.1° | 66.0° |
| C39 | C30 | C31 | O32 | 52.8° | 61.3° |
| C39 | C30 | C31 | C33 | 175.1° | 178.7° |
| C39 | C30 | C31 | H31 | 64.9° | 58.8° |
| C30 | C39 | O3A | C3F | 121.3° | 119.2° |
| C30 | C39 | O3A | H39 | 119.1° | 120.3° |
| C30 | C39 | C3F | H39 | 119.1° | 119.8° |
| C30 | C39 | O3A | S3B | 112.7° | 108.7° |
| C30 | C39 | C3F | C3L | 57.0° | 53.8° |
| C30 | C39 | C3F | N3G | 178.0° | 173.7° |
| C30 | C39 | C3F | H3F | 62.7° | 66.1° |
| H30 | C30 | C31 | O32 | 66.2° | 58.6° |
| H30 | C30 | C31 | C33 | 56.0° | 61.4° |
| H30 | C30 | C31 | H31 | 176.0° | 178.7° |
| H30 | C30 | C39 | O3A | 51.7° | 53.8° |
| H30 | C30 | C39 | C3F | 69.0° | 66.2° |
| H30 | C30 | C39 | H39 | 171.5° | 174.1° |
| O32 | C31 | C33 | H31 | 117.8° | 119.8° |
| O32 | C31 | C33 | O34 | 65.7° | 65.8° |
| O32 | C31 | C33 | H331 | 174.3° | 174.2° |
| O32 | C31 | C33 | H332 | 53.1° | 54.2° |
| C31 | O32 | C3L | C3F | 65.5° | 67.6° |
| C31 | O32 | C3L | O3M | 52.3° | 52.5° |
| C31 | O32 | C3L | H3L | 172.1° | 172.4° |
| C33 | C31 | O32 | C3L | 177.3° | 172.3° |
| C31 | C33 | O34 | H331 | 120.0° | 120.0° |
| C31 | C33 | O34 | H332 | 118.8° | 120.0° |
| C31 | C33 | H331 | H332 | 118.9° | 120.0° |
| C31 | C33 | O34 | S35 | 174.9° | 180.0° |
| H31 | C31 | O32 | C3L | 57.4° | 52.5° |
| H31 | C31 | C33 | O34 | 176.5° | 54.0° |
| H31 | C31 | C33 | H331 | 56.4° | 66.0° |
| H31 | C31 | C33 | H332 | 64.7° | 174.0° |
| O32 | C3L | C3F | C39 | 62.5° | 61.3° |
| O32 | C3L | C3F | O3M | 120.3° | 120.1° |
| O32 | C3L | C3F | H3L | 120.1° | 120.0° |
| O32 | C3L | C3F | N3G | 177.2° | 178.8° |
| O32 | C3L | C3F | H3F | 57.9° | 58.5° |
| O32 | C3L | O3M | H3L | 120.2° | 119.9° |
| O32 | C3L | O3M | C40 | 65.4° | 111.6° |
| O34 | C33 | H331 | H332 | 118.9° | 120.0° |
| C33 | O34 | S35 | O36 | 87.6° | 172.4° |
| C33 | O34 | S35 | O37 | 32.8° | 75.0° |
| C33 | O34 | S35 | O38 | 153.0° | 37.6° |
| H331 | C33 | O34 | S35 | 54.9° | 60.0° |
| H332 | C33 | O34 | S35 | 66.3° | 60.0° |
| O34 | S35 | O36 | O37 | 120.7° | 113.8° |
| O34 | S35 | O36 | O38 | 120.1° | 123.1° |
| O34 | S35 | O37 | O38 | 120.4° | 112.6° |
| O34 | S35 | O37 | HO37 | 11.8° | 180.0° |
| O36 | S35 | O37 | O38 | 118.6° | 134.7° |
| O36 | S35 | O37 | HO37 | 132.8° | 67.4° |
| O38 | S35 | O37 | HO37 | 108.6° | 67.4° |
| O3A | C39 | C3F | H39 | 119.9° | 120.4° |
| C39 | O3A | S3B | O3C | 50.5° | 72.1° |
| C39 | O3A | S3B | O3D | 170.8° | 175.3° |
| C39 | O3A | S3B | O3E | 69.4° | 40.5° |
| O3A | C39 | C3F | C3L | 178.0° | 173.6° |
| O3A | C39 | C3F | N3G | 61.1° | 66.5° |
| O3A | C39 | C3F | H3F | 58.3° | 53.7° |
| C3F | C39 | O3A | S3B | 125.9° | 132.0° |
| C39 | C3F | C3L | N3G | 120.3° | 119.9° |
| C39 | C3F | C3L | H3F | 120.4° | 119.9° |
| C39 | C3F | N3G | H3F | 120.4° | 120.2° |
| C39 | C3F | N3G | S3H | 171.2° | 144.7° |
| C39 | C3F | C3L | O3M | 57.8° | 58.8° |
| C39 | C3F | C3L | H3L | 177.4° | 178.7° |
| C39 | C3F | N3G | HN3G | 51.2° | 35.3° |
| H39 | C39 | O3A | S3B | 6.4° | 11.6° |
| H39 | C39 | C3F | C3L | 62.1° | 66.0° |
| H39 | C39 | C3F | N3G | 58.8° | 53.9° |
| H39 | C39 | C3F | H3F | 178.1° | 174.1° |
| O3A | S3B | O3C | O3D | 120.3° | 112.6° |
| O3A | S3B | O3C | O3E | 120.0° | 112.6° |
| O3A | S3B | O3D | O3E | 119.8° | 123.1° |
| O3A | S3B | O3C | HO3C | 107.9° | 180.0° |
| O3C | S3B | O3D | O3E | 119.7° | 123.1° |
| O3D | S3B | O3C | HO3C | 12.3° | 67.4° |
| O3E | S3B | O3C | HO3C | 132.1° | 67.4° |
| C3L | C3F | N3G | H3F | 119.8° | 120.3° |
| C3L | C3F | N3G | S3H | 69.0° | 95.8° |
| C3F | C3L | O3M | H3L | 122.4° | 119.8° |
| C3F | C3L | O3M | C40 | 177.1° | 128.1° |
| C3L | C3F | N3G | HN3G | 171.0° | 84.2° |
| C3F | N3G | S3H | O3I | 93.6° | 65.0° |
| C3F | N3G | S3H | O3J | 146.5° | 177.6° |
| C3F | N3G | S3H | O3K | 27.3° | 47.6° |
| C3F | N3G | S3H | HN3G | 120.0° | 180.0° |
| N3G | C3F | C3L | O3M | 62.5° | 61.1° |
| N3G | C3F | C3L | H3L | 57.1° | 58.8° |
| H3F | C3F | N3G | S3H | 50.8° | 24.5° |
| H3F | C3F | C3L | O3M | 178.2° | 178.6° |
| H3F | C3F | C3L | H3L | 62.2° | 61.5° |
| H3F | C3F | N3G | HN3G | 69.2° | 155.5° |
| O3I | S3H | O3J | O3K | 119.7° | 123.1° |
| O3I | S3H | O3J | N3G | 120.1° | 113.7° |
| O3I | S3H | O3K | N3G | 120.6° | 113.7° |
| O3I | S3H | N3G | HN3G | 146.4° | 115.0° |
| O3J | S3H | O3K | N3G | 120.1° | 123.1° |
| O3J | S3H | O3I | HO3I | 3.0° | 67.4° |
| O3J | S3H | N3G | HN3G | 26.5° | 2.4° |
| O3K | S3H | O3I | HO3I | 121.7° | 67.4° |
| O3K | S3H | N3G | HN3G | 92.7° | 132.4° |
| N3G | S3H | O3I | HO3I | 117.3° | 180.0° |
| C3L | O3M | C40 | C41 | 158.0° | 94.5° |
| C3L | O3M | C40 | C46 | 81.3° | 145.9° |
| C3L | O3M | C40 | H40 | 38.7° | 25.7° |
| H3L | C3L | O3M | C40 | 54.8° | 8.3° |
| O3M | C40 | C41 | C46 | 120.9° | 120.0° |
| O3M | C40 | C41 | H40 | 119.0° | 120.2° |
| O3M | C40 | C46 | H40 | 119.0° | 120.2° |
| O3M | C40 | C41 | O42 | 77.2° | 58.7° |
| O3M | C40 | C41 | C43 | 42.5° | 61.4° |
| O3M | C40 | C41 | H41 | 163.1° | 178.8° |
| O3M | C40 | C46 | O47 | 99.3° | 173.9° |
| O3M | C40 | C46 | C49 | 140.9° | 66.2° |
| O3M | C40 | C46 | H46 | 21.2° | 53.5° |
| C41 | C40 | C46 | H40 | 119.4° | 119.8° |
| C40 | C41 | O42 | C43 | 119.6° | 120.1° |
| C40 | C41 | O42 | H41 | 119.8° | 120.1° |
| C40 | C41 | C43 | H41 | 119.8° | 119.9° |
| C40 | C41 | O42 | C4F | 71.6° | 67.6° |
| C40 | C41 | C43 | O44 | 93.8° | 64.0° |
| C40 | C41 | C43 | O45 | 85.7° | 116.0° |
| C41 | C40 | C46 | O47 | 139.1° | 66.2° |
| C41 | C40 | C46 | C49 | 19.4° | 53.8° |
| C41 | C40 | C46 | H46 | 100.3° | 173.4° |
| C46 | C40 | C41 | O42 | 43.7° | 61.3° |
| C46 | C40 | C41 | C43 | 163.5° | 178.7° |
| C46 | C40 | C41 | H41 | 76.0° | 58.8° |
| C40 | C46 | O47 | C49 | 120.7° | 119.2° |
| C40 | C46 | O47 | H46 | 119.6° | 120.4° |
| C40 | C46 | C49 | H46 | 119.6° | 119.7° |
| C40 | C46 | O47 | HO47 | 60.5° | 180.0° |
| C40 | C46 | C49 | O4A | 178.0° | 66.2° |
| C40 | C46 | C49 | C4F | 60.5° | 53.8° |
| C40 | C46 | C49 | H49 | 58.8° | 173.6° |
| H40 | C40 | C41 | O42 | 163.8° | 178.9° |
| H40 | C40 | C41 | C43 | 76.5° | 58.9° |
| H40 | C40 | C41 | H41 | 44.0° | 61.0° |
| H40 | C40 | C46 | O47 | 19.8° | 53.7° |
| H40 | C40 | C46 | C49 | 100.0° | 173.6° |
| H40 | C40 | C46 | H46 | 140.3° | 66.7° |
| O42 | C41 | C43 | H41 | 119.7° | 119.8° |
| O42 | C41 | C43 | O44 | 145.7° | 175.7° |
| O42 | C41 | C43 | O45 | 34.7° | 4.3° |
| C41 | O42 | C4F | C49 | 27.3° | 67.5° |
| C41 | O42 | C4F | O4G | 96.6° | 52.6° |
| C41 | O42 | C4F | H4F | 145.6° | 172.4° |
| C43 | C41 | O42 | C4F | 168.8° | 172.4° |
| C41 | C43 | O44 | O45 | 179.5° | 180.0° |
| C41 | C43 | O44 | HO44 | 179.5° | 180.0° |
| H41 | C41 | O42 | C4F | 48.3° | 52.5° |
| H41 | C41 | C43 | O44 | 26.0° | 55.9° |
| H41 | C41 | C43 | O45 | 154.5° | 124.1° |
| O42 | C4F | C49 | C46 | 36.4° | 61.3° |
| O42 | C4F | C49 | O4A | 158.4° | 58.7° |
| O42 | C4F | C49 | O4G | 125.1° | 120.1° |
| O42 | C4F | C49 | H4F | 116.8° | 120.0° |
| O42 | C4F | C49 | H49 | 82.4° | 178.8° |
| O42 | C4F | O4G | H4F | 116.8° | 119.8° |
| O42 | C4F | O4G | C50 | 63.8° | 75.2° |
| O45 | C43 | O44 | HO44 | 0.0° | 0.0° |
| O47 | C46 | C49 | H46 | 120.5° | 120.4° |
| O47 | C46 | C49 | O4A | 58.1° | 173.9° |
| O47 | C46 | C49 | C4F | 179.6° | 66.0° |
| O47 | C46 | C49 | H49 | 61.0° | 53.7° |
| C49 | C46 | O47 | HO47 | 178.9° | 60.7° |
| C46 | C49 | O4A | C4F | 121.8° | 119.7° |
| C46 | C49 | O4A | H49 | 118.9° | 120.2° |
| C46 | C49 | C4F | H49 | 118.9° | 119.8° |
| C46 | C49 | O4A | S4B | 120.3° | 143.0° |
| C46 | C49 | C4F | O4G | 161.6° | 58.7° |
| C46 | C49 | C4F | H4F | 80.4° | 178.6° |
| H46 | C46 | O47 | HO47 | 59.2° | 59.7° |
| H46 | C46 | C49 | O4A | 62.4° | 53.5° |
| H46 | C46 | C49 | C4F | 59.1° | 173.5° |
| H46 | C46 | C49 | H49 | 178.4° | 66.7° |
| O4A | C49 | C4F | H49 | 119.2° | 120.1° |
| C49 | O4A | S4B | O4C | 53.3° | 71.4° |
| C49 | O4A | S4B | O4D | 67.4° | 176.0° |
| C49 | O4A | S4B | O4E | 172.8° | 41.1° |
| O4A | C49 | C4F | O4G | 76.5° | 178.7° |
| O4A | C49 | C4F | H4F | 41.6° | 61.4° |
| C4F | C49 | O4A | S4B | 118.0° | 97.3° |
| C49 | C4F | O4G | H4F | 118.5° | 119.9° |
| C49 | C4F | O4G | C50 | 171.4° | 164.5° |
| H49 | C49 | O4A | S4B | 1.4° | 22.7° |
| H49 | C49 | C4F | O4G | 42.7° | 61.1° |
| H49 | C49 | C4F | H4F | 160.7° | 58.8° |
| O4A | S4B | O4C | O4D | 120.9° | 112.6° |
| O4A | S4B | O4C | O4E | 119.3° | 112.6° |
| O4A | S4B | O4D | O4E | 119.4° | 123.2° |
| O4A | S4B | O4C | HO4C | 162.8° | 180.0° |
| O4C | S4B | O4D | O4E | 119.5° | 123.1° |
| O4D | S4B | O4C | HO4C | 76.3° | 67.4° |
| O4E | S4B | O4C | HO4C | 43.4° | 67.4° |
| C4F | O4G | C50 | C51 | 111.9° | 111.7° |
| C4F | O4G | C50 | C59 | 131.2° | 128.8° |
| C4F | O4G | C50 | H50 | 9.2° | 8.5° |
| H4F | C4F | O4G | C50 | 52.9° | 44.6° |
| O4G | C50 | C51 | C59 | 118.5° | 119.9° |
| O4G | C50 | C51 | H50 | 119.5° | 120.2° |
| O4G | C50 | C59 | H50 | 119.5° | 120.3° |
| O4G | C50 | C51 | O52 | 176.9° | 178.8° |
| O4G | C50 | C51 | C53 | 57.7° | 58.7° |
| O4G | C50 | C51 | H51 | 62.2° | 61.1° |
| O4G | C50 | C59 | O5A | 61.2° | 66.5° |
| O4G | C50 | C59 | C5F | 178.8° | 173.6° |
| O4G | C50 | C59 | H59 | 58.8° | 53.9° |
| C51 | C50 | C59 | H50 | 120.9° | 119.8° |
| C50 | C51 | O52 | C53 | 120.7° | 120.0° |
| C50 | C51 | O52 | H51 | 119.4° | 120.1° |
| C50 | C51 | C53 | H51 | 119.4° | 119.8° |
| C50 | C51 | O52 | C5L | 65.9° | 67.6° |
| C50 | C51 | C53 | O54 | 66.3° | 175.8° |
| C50 | C51 | C53 | H531 | 53.7° | 55.8° |
| C50 | C51 | C53 | H532 | 174.5° | 64.2° |
| C51 | C50 | C59 | O5A | 179.2° | 173.6° |
| C51 | C50 | C59 | C5F | 59.2° | 53.7° |
| C51 | C50 | C59 | H59 | 60.8° | 66.0° |
| C59 | C50 | C51 | O52 | 64.6° | 61.3° |
| C59 | C50 | C51 | C53 | 176.2° | 178.7° |
| C59 | C50 | C51 | H51 | 56.3° | 58.8° |
| C50 | C59 | O5A | C5F | 119.8° | 119.2° |
| C50 | C59 | O5A | H59 | 120.1° | 120.4° |
| C50 | C59 | C5F | H59 | 120.2° | 119.7° |
| C50 | C59 | O5A | HO5A | 137.5° | 179.9° |
| C50 | C59 | C5F | C5L | 54.5° | 53.8° |
| C50 | C59 | C5F | N5G | 176.2° | 173.6° |
| C50 | C59 | C5F | H5F | 64.5° | 66.1° |
| H50 | C50 | C51 | O52 | 57.4° | 58.6° |
| H50 | C50 | C51 | C53 | 61.8° | 61.5° |
| H50 | C50 | C51 | H51 | 178.3° | 178.7° |
| H50 | C50 | C59 | O5A | 58.2° | 53.8° |
| H50 | C50 | C59 | C5F | 61.7° | 66.1° |
| H50 | C50 | C59 | H59 | 178.3° | 174.2° |
| O52 | C51 | C53 | H51 | 120.9° | 119.9° |
| O52 | C51 | C53 | O54 | 53.4° | 63.8° |
| O52 | C51 | C53 | H531 | 173.4° | 176.1° |
| O52 | C51 | C53 | H532 | 65.8° | 56.2° |
| C51 | O52 | C5L | C5F | 59.4° | 67.5° |
| C51 | O52 | C5L | O5M | 63.9° | 52.6° |
| C51 | O52 | C5L | H5L | 177.5° | 172.4° |
| C53 | C51 | O52 | C5L | 173.4° | 172.4° |
| C51 | C53 | O54 | H531 | 120.0° | 120.0° |
| C51 | C53 | O54 | H532 | 119.2° | 120.0° |
| C51 | C53 | H531 | H532 | 119.2° | 120.0° |
| C51 | C53 | O54 | S55 | 173.8° | 175.3° |
| H51 | C51 | O52 | C5L | 53.5° | 52.6° |
| H51 | C51 | C53 | O54 | 174.3° | 56.0° |
| H51 | C51 | C53 | H531 | 65.7° | 64.0° |
| H51 | C51 | C53 | H532 | 55.1° | 176.0° |
| O52 | C5L | C5F | C59 | 53.5° | 61.3° |
| O52 | C5L | C5F | O5M | 122.7° | 120.1° |
| O52 | C5L | C5F | H5L | 118.8° | 120.1° |
| O52 | C5L | C5F | N5G | 174.8° | 178.8° |
| O52 | C5L | C5F | H5F | 65.9° | 58.6° |
| O52 | C5L | O5M | H5L | 118.9° | 119.8° |
| O52 | C5L | O5M | C5N | 66.2° | 69.8° |
| O54 | C53 | H531 | H532 | 119.3° | 120.0° |
| C53 | O54 | S55 | O56 | 80.2° | 174.5° |
| C53 | O54 | S55 | O57 | 39.7° | 73.0° |
| C53 | O54 | S55 | O58 | 159.4° | 39.6° |
| H531 | C53 | O54 | S55 | 53.8° | 64.7° |
| H532 | C53 | O54 | S55 | 67.0° | 55.3° |
| O54 | S55 | O56 | O57 | 119.8° | 113.7° |
| O54 | S55 | O56 | O58 | 120.3° | 123.2° |
| O54 | S55 | O57 | O58 | 120.1° | 112.6° |
| O54 | S55 | O57 | HO57 | 143.4° | 180.0° |
| O56 | S55 | O57 | O58 | 120.3° | 134.8° |
| O56 | S55 | O57 | HO57 | 97.0° | 67.4° |
| O58 | S55 | O57 | HO57 | 23.3° | 67.4° |
| O5A | C59 | C5F | H59 | 120.1° | 120.5° |
| O5A | C59 | C5F | C5L | 174.3° | 173.6° |
| O5A | C59 | C5F | N5G | 64.1° | 66.6° |
| O5A | C59 | C5F | H5F | 55.3° | 53.7° |
| C5F | C59 | O5A | HO5A | 102.7° | 60.9° |
| C59 | C5F | C5L | N5G | 121.3° | 119.9° |
| C59 | C5F | C5L | H5F | 119.3° | 119.9° |
| C59 | C5F | N5G | H5F | 119.3° | 120.2° |
| C59 | C5F | N5G | S5H | 151.1° | 145.0° |
| C59 | C5F | C5L | O5M | 69.3° | 58.8° |
| C59 | C5F | C5L | H5L | 172.3° | 178.6° |
| C59 | C5F | N5G | HN5G | 31.1° | 34.9° |
| H59 | C59 | O5A | HO5A | 17.3° | 59.6° |
| H59 | C59 | C5F | C5L | 65.7° | 65.9° |
| H59 | C59 | C5F | N5G | 56.0° | 53.9° |
| H59 | C59 | C5F | H5F | 175.3° | 174.2° |
| C5L | C5F | N5G | H5F | 119.0° | 120.2° |
| C5L | C5F | N5G | S5H | 87.2° | 95.4° |
| C5F | C5L | O5M | H5L | 118.0° | 119.9° |
| C5F | C5L | O5M | C5N | 170.7° | 169.9° |
| C5L | C5F | N5G | HN5G | 152.7° | 84.7° |
| C5F | N5G | S5H | O5I | 110.8° | 47.6° |
| C5F | N5G | S5H | O5J | 9.1° | 177.6° |
| C5F | N5G | S5H | O5K | 129.5° | 65.0° |
| C5F | N5G | S5H | HN5G | 120.0° | 179.9° |
| N5G | C5F | C5L | O5M | 52.1° | 61.1° |
| N5G | C5F | C5L | H5L | 66.4° | 58.7° |
| H5F | C5F | N5G | S5H | 31.8° | 24.8° |
| H5F | C5F | C5L | O5M | 171.4° | 178.7° |
| H5F | C5F | C5L | H5L | 52.9° | 61.5° |
| H5F | C5F | N5G | HN5G | 88.2° | 155.1° |
| O5I | S5H | O5J | O5K | 119.8° | 123.2° |
| O5I | S5H | O5J | N5G | 119.6° | 123.1° |
| O5I | S5H | O5K | N5G | 119.7° | 112.6° |
| O5I | S5H | O5K | HO5K | 129.4° | 67.4° |
| O5I | S5H | N5G | HN5G | 9.2° | 132.5° |
| O5J | S5H | O5K | N5G | 120.3° | 112.6° |
| O5J | S5H | O5K | HO5K | 110.6° | 67.5° |
| O5J | S5H | N5G | HN5G | 129.1° | 2.4° |
| O5K | S5H | N5G | HN5G | 110.5° | 114.9° |
| N5G | S5H | O5K | HO5K | 9.7° | 180.0° |
| C5L | O5M | C5N | H5N1 | 13.6° | 60.0° |
| C5L | O5M | C5N | H5N2 | 106.5° | 180.0° |
| C5L | O5M | C5N | H5N3 | 133.5° | 60.0° |
| H5L | C5L | O5M | C5N | 52.7° | 50.0° |
| O5M | C5N | H5N1 | H5N2 | 120.0° | 120.0° |
| O5M | C5N | H5N1 | H5N3 | 120.0° | 120.0° |
| O5M | C5N | H5N2 | H5N3 | 120.0° | 120.1° |
| H5N1 | C5N | H5N2 | H5N3 | 119.9° | 119.9° |
