5J7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O47 | C46 | sing | 1.43Å | 1.43Å | |
| O50 | C49 | sing | 1.43Å | 1.43Å | |
| C46 | C49 | sing | 1.53Å | 1.49Å | |
| C46 | C43 | sing | 1.53Å | 1.50Å | |
| C49 | C52 | sing | 1.53Å | 1.52Å | |
| C43 | O44 | sing | 1.43Å | 1.45Å | |
| C43 | C41 | sing | 1.53Å | 1.51Å | |
| C52 | C53 | sing | 1.53Å | 1.49Å | |
| C52 | O42 | sing | 1.43Å | 1.47Å | |
| C53 | O54 | sing | 1.43Å | 1.48Å | |
| C41 | O42 | sing | 1.43Å | 1.48Å | |
| C41 | O40 | sing | 1.43Å | 1.41Å | |
| O40 | C39 | sing | 1.43Å | 1.45Å | |
| C32 | C31 | sing | 1.53Å | 1.47Å | |
| O56 | C55 | doub | 1.22Å | 1.22Å | |
| O34 | C33 | sing | 1.43Å | 1.45Å | |
| C33 | C31 | sing | 1.53Å | 1.52Å | |
| C33 | C36 | sing | 1.53Å | 1.47Å | |
| O37 | C36 | sing | 1.43Å | 1.45Å | |
| C31 | O30 | sing | 1.43Å | 1.47Å | |
| O54 | C55 | sing | 1.35Å | 1.44Å | |
| O30 | C29 | sing | 1.43Å | 1.46Å | |
| C55 | C57 | sing | 1.42Å | 1.54Å | |
| C36 | C39 | sing | 1.53Å | 1.47Å | |
| C39 | C29 | sing | 1.53Å | 1.51Å | |
| C29 | O28 | sing | 1.43Å | 1.36Å | |
| C57 | C58 | doub | 1.35Å | 1.38Å | |
| C58 | C59 | sing | 1.47Å | 1.54Å | |
| O03 | C02 | sing | 1.36Å | 1.41Å | |
| O28 | C27 | sing | 1.36Å | 1.45Å | |
| O26 | C25 | doub | 1.22Å | 1.25Å | |
| C01 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C59 | C60 | doub | 1.40Å | 1.36Å | Aromatic |
| C59 | C68 | sing | 1.40Å | 1.38Å | Aromatic |
| C02 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| C27 | C25 | sing | 1.42Å | 1.43Å | |
| C27 | C13 | doub | 1.36Å | 1.46Å | |
| C25 | C24 | sing | 1.47Å | 1.47Å | |
| C60 | C61 | sing | 1.38Å | 1.40Å | Aromatic |
| O22 | C21 | sing | 1.36Å | 1.46Å | |
| C68 | C67 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.47Å | 1.54Å | |
| C13 | O14 | sing | 1.34Å | 1.43Å | |
| C12 | C11 | doub | 1.40Å | 1.37Å | Aromatic |
| C05 | O06 | sing | 1.36Å | 1.43Å | |
| C05 | C08 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C21 | doub | 1.40Å | 1.43Å | Aromatic |
| C24 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C61 | O62 | sing | 1.36Å | 1.40Å | |
| C61 | C64 | doub | 1.39Å | 1.36Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C67 | C64 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C08 | sing | 1.38Å | 1.41Å | Aromatic |
| O14 | C15 | sing | 1.35Å | 1.50Å | |
| C08 | O09 | sing | 1.36Å | 1.36Å | |
| C64 | O65 | sing | 1.36Å | 1.41Å | |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C17 | doub | 1.39Å | 1.43Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | O18 | sing | 1.36Å | 1.38Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| O03 | H04 | sing | 0.97Å | 0.95Å | |
| O06 | H07 | sing | 0.97Å | 0.95Å | |
| O09 | H10 | sing | 0.97Å | 0.95Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| O18 | H19 | sing | 0.97Å | 0.95Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| O22 | H23 | sing | 0.97Å | 0.95Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| O34 | H35 | sing | 0.97Å | 0.95Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| O37 | H38 | sing | 0.97Å | 0.95Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| O44 | H45 | sing | 0.97Å | 0.95Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| O47 | H48 | sing | 0.97Å | 0.95Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| O50 | H51 | sing | 0.97Å | 0.95Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C57 | H571 | sing | 1.08Å | 1.08Å | |
| C58 | H581 | sing | 1.08Å | 1.08Å | |
| C60 | H601 | sing | 1.08Å | 1.08Å | |
| O62 | H63 | sing | 0.97Å | 0.95Å | |
| O65 | H66 | sing | 0.97Å | 0.95Å | |
| C67 | H671 | sing | 1.08Å | 1.08Å | |
| C68 | H681 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O47 | C46 | C49 | 107.7° | 109.6° |
| O47 | C46 | C43 | 109.5° | 109.5° |
| O47 | C46 | H461 | 109.3° | 109.7° |
| C46 | O47 | H48 | 109.5° | 114.0° |
| O50 | C49 | C46 | 108.9° | 109.5° |
| O50 | C49 | C52 | 108.3° | 109.6° |
| O50 | C49 | H491 | 110.0° | 109.6° |
| C49 | O50 | H51 | 109.5° | 114.0° |
| C49 | C46 | C43 | 113.3° | 109.0° |
| C46 | C49 | C52 | 111.7° | 109.2° |
| C49 | C46 | H461 | 108.6° | 109.5° |
| C46 | C49 | H491 | 109.2° | 109.5° |
| C46 | C43 | O44 | 110.0° | 109.5° |
| C46 | C43 | C41 | 113.0° | 109.2° |
| C46 | C43 | H431 | 108.9° | 109.6° |
| C43 | C46 | H461 | 108.4° | 109.6° |
| C49 | C52 | C53 | 109.0° | 109.5° |
| C49 | C52 | O42 | 108.6° | 109.4° |
| C52 | C49 | H491 | 108.7° | 109.5° |
| C49 | C52 | H521 | 109.1° | 109.4° |
| O44 | C43 | C41 | 106.5° | 109.5° |
| O44 | C43 | H431 | 109.6° | 109.5° |
| C43 | O44 | H45 | 109.5° | 113.9° |
| C43 | C41 | O42 | 112.3° | 109.4° |
| C43 | C41 | O40 | 109.6° | 109.5° |
| C43 | C41 | H411 | 109.1° | 109.5° |
| C41 | C43 | H431 | 108.8° | 109.5° |
| C53 | C52 | O42 | 111.0° | 109.5° |
| C52 | C53 | O54 | 108.1° | 109.5° |
| C53 | C52 | H521 | 109.4° | 109.5° |
| C52 | C53 | H531 | 109.8° | 109.5° |
| C52 | C53 | H532 | 109.8° | 109.5° |
| C52 | O42 | C41 | 111.4° | 114.2° |
| O42 | C52 | H521 | 109.7° | 109.5° |
| C53 | O54 | C55 | 112.3° | 117.0° |
| O54 | C53 | H531 | 109.8° | 109.5° |
| O54 | C53 | H532 | 109.8° | 109.5° |
| O42 | C41 | O40 | 105.9° | 109.5° |
| O42 | C41 | H411 | 109.5° | 109.5° |
| C41 | O40 | C39 | 114.1° | 114.0° |
| O40 | C41 | H411 | 110.4° | 109.5° |
| O40 | C39 | C36 | 104.7° | 109.5° |
| O40 | C39 | C29 | 111.5° | 109.5° |
| O40 | C39 | H391 | 109.9° | 109.5° |
| C32 | C31 | C33 | 111.4° | 109.5° |
| C32 | C31 | O30 | 107.7° | 109.5° |
| C32 | C31 | H311 | 109.0° | 109.5° |
| C31 | C32 | H322 | 109.5° | 109.4° |
| C31 | C32 | H321 | 109.5° | 109.5° |
| C31 | C32 | H323 | 109.4° | 109.4° |
| O56 | C55 | O54 | 124.4° | 120.0° |
| O56 | C55 | C57 | 122.3° | 120.0° |
| O34 | C33 | C31 | 109.9° | 109.5° |
| O34 | C33 | C36 | 108.3° | 109.5° |
| O34 | C33 | H331 | 109.6° | 109.6° |
| C33 | O34 | H35 | 109.5° | 114.0° |
| C31 | C33 | C36 | 111.2° | 109.2° |
| C33 | C31 | O30 | 111.2° | 109.4° |
| C33 | C31 | H311 | 108.4° | 109.4° |
| C31 | C33 | H331 | 108.6° | 109.5° |
| C33 | C36 | O37 | 108.5° | 109.5° |
| C33 | C36 | C39 | 110.0° | 109.0° |
| C36 | C33 | H331 | 109.2° | 109.6° |
| C33 | C36 | H361 | 110.0° | 109.6° |
| O37 | C36 | C39 | 108.1° | 109.5° |
| O37 | C36 | H361 | 110.2° | 109.6° |
| C36 | O37 | H38 | 109.5° | 114.0° |
| C31 | O30 | C29 | 110.9° | 114.1° |
| O30 | C31 | H311 | 109.1° | 109.5° |
| O54 | C55 | C57 | 113.3° | 120.0° |
| O30 | C29 | C39 | 113.6° | 109.4° |
| O30 | C29 | O28 | 109.1° | 109.5° |
| O30 | C29 | H291 | 109.7° | 109.5° |
| C55 | C57 | C58 | 117.3° | 120.0° |
| C55 | C57 | H571 | 121.3° | 120.0° |
| C36 | C39 | C29 | 111.8° | 109.1° |
| C39 | C36 | H361 | 110.0° | 109.5° |
| C36 | C39 | H391 | 109.7° | 109.5° |
| C39 | C29 | O28 | 104.1° | 109.5° |
| C39 | C29 | H291 | 109.0° | 109.4° |
| C29 | C39 | H391 | 109.0° | 109.6° |
| C29 | O28 | C27 | 112.8° | 117.0° |
| O28 | C29 | H291 | 111.2° | 109.5° |
| C57 | C58 | C59 | 119.8° | 120.0° |
| C58 | C57 | H571 | 121.4° | 120.1° |
| C57 | C58 | H581 | 120.1° | 120.0° |
| C58 | C59 | C60 | 113.9° | 120.1° |
| C58 | C59 | C68 | 121.9° | 120.1° |
| C59 | C58 | H581 | 120.1° | 120.0° |
| O03 | C02 | C01 | 119.0° | 120.0° |
| O03 | C02 | C05 | 119.4° | 120.0° |
| C02 | O03 | H04 | 109.5° | 114.0° |
| O28 | C27 | C25 | 122.0° | 120.2° |
| O28 | C27 | C13 | 117.5° | 120.3° |
| O26 | C25 | C27 | 120.9° | 121.4° |
| O26 | C25 | C24 | 120.7° | 121.2° |
| C02 | C01 | C12 | 118.1° | 119.9° |
| C01 | C02 | C05 | 121.6° | 120.1° |
| C02 | C01 | H011 | 120.9° | 120.1° |
| C01 | C12 | C13 | 119.0° | 120.0° |
| C01 | C12 | C11 | 121.7° | 119.9° |
| C12 | C01 | H011 | 121.0° | 120.0° |
| C60 | C59 | C68 | 124.2° | 119.9° |
| C59 | C60 | C61 | 117.8° | 119.8° |
| C59 | C60 | H601 | 121.1° | 120.1° |
| C59 | C68 | C67 | 117.5° | 119.9° |
| C59 | C68 | H681 | 121.3° | 120.0° |
| C02 | C05 | O06 | 119.9° | 119.9° |
| C02 | C05 | C08 | 119.6° | 120.1° |
| C25 | C27 | C13 | 119.6° | 119.5° |
| C27 | C25 | C24 | 118.4° | 117.4° |
| C27 | C13 | C12 | 124.2° | 118.8° |
| C27 | C13 | O14 | 123.0° | 122.4° |
| C25 | C24 | C21 | 121.2° | 121.3° |
| C25 | C24 | C15 | 121.0° | 118.5° |
| C60 | C61 | O62 | 119.7° | 119.9° |
| C60 | C61 | C64 | 119.6° | 120.1° |
| C61 | C60 | H601 | 121.1° | 120.1° |
| O22 | C21 | C24 | 119.5° | 120.3° |
| O22 | C21 | C20 | 119.1° | 120.3° |
| C21 | O22 | H23 | 109.5° | 114.0° |
| C68 | C67 | C64 | 118.7° | 120.2° |
| C68 | C67 | H671 | 120.6° | 119.9° |
| C67 | C68 | H681 | 121.3° | 120.0° |
| C12 | C13 | O14 | 108.5° | 118.7° |
| C13 | C12 | C11 | 119.2° | 120.1° |
| C13 | O14 | C15 | 114.8° | 122.3° |
| C12 | C11 | C08 | 119.4° | 119.9° |
| C12 | C11 | H111 | 120.3° | 120.0° |
| O06 | C05 | C08 | 120.5° | 119.9° |
| C05 | O06 | H07 | 109.5° | 114.0° |
| C05 | C08 | C11 | 119.6° | 120.1° |
| C05 | C08 | O09 | 120.0° | 120.0° |
| C21 | C24 | C15 | 117.8° | 120.2° |
| C24 | C21 | C20 | 121.4° | 119.5° |
| C24 | C15 | O14 | 122.2° | 119.8° |
| C24 | C15 | C16 | 122.8° | 119.4° |
| O62 | C61 | C64 | 120.7° | 120.0° |
| C61 | O62 | H63 | 109.5° | 114.0° |
| C61 | C64 | C67 | 122.2° | 120.2° |
| C61 | C64 | O65 | 117.1° | 119.9° |
| C21 | C20 | C17 | 118.6° | 120.2° |
| C21 | C20 | H201 | 120.7° | 119.9° |
| C67 | C64 | O65 | 120.7° | 119.9° |
| C64 | C67 | H671 | 120.7° | 119.9° |
| C11 | C08 | O09 | 120.4° | 120.0° |
| C08 | C11 | H111 | 120.3° | 120.1° |
| O14 | C15 | C16 | 115.0° | 120.8° |
| C08 | O09 | H10 | 109.5° | 114.0° |
| C64 | O65 | H66 | 109.5° | 114.1° |
| C15 | C16 | C17 | 118.1° | 120.1° |
| C15 | C16 | H161 | 121.0° | 120.0° |
| C20 | C17 | C16 | 121.3° | 120.6° |
| C20 | C17 | O18 | 120.0° | 119.7° |
| C17 | C20 | H201 | 120.7° | 119.9° |
| C16 | C17 | O18 | 118.7° | 119.6° |
| C17 | C16 | H161 | 121.0° | 120.0° |
| C17 | O18 | H19 | 109.5° | 114.0° |
| H322 | C32 | H321 | 109.4° | 109.4° |
| H322 | C32 | H323 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.5° |
| H531 | C53 | H532 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O47 | C46 | C49 | O50 | 68.2° | 63.2° |
| O47 | C46 | C49 | C43 | 121.3° | 119.9° |
| O47 | C46 | C49 | H461 | 118.3° | 120.3° |
| O47 | C46 | C43 | H461 | 119.2° | 120.3° |
| O47 | C46 | C49 | C52 | 172.3° | 176.8° |
| O47 | C46 | C43 | O44 | 75.9° | 63.3° |
| O47 | C46 | C43 | C41 | 165.2° | 176.8° |
| O47 | C46 | C43 | H431 | 44.2° | 56.9° |
| O47 | C46 | C49 | H491 | 51.9° | 56.9° |
| O50 | C49 | C46 | C52 | 119.5° | 120.0° |
| O50 | C49 | C46 | H491 | 120.1° | 120.1° |
| O50 | C49 | C46 | C43 | 170.5° | 176.9° |
| O50 | C49 | C52 | H491 | 119.5° | 120.2° |
| O50 | C49 | C52 | C53 | 60.3° | 62.5° |
| O50 | C49 | C52 | O42 | 178.6° | 177.5° |
| O50 | C49 | C46 | H461 | 50.1° | 57.1° |
| O50 | C49 | C52 | H521 | 59.1° | 57.5° |
| C49 | C46 | C43 | H461 | 120.6° | 119.8° |
| C46 | C49 | C52 | H491 | 120.6° | 119.8° |
| C49 | C46 | C43 | O44 | 163.9° | 176.9° |
| C49 | C46 | C43 | C41 | 45.0° | 57.0° |
| C46 | C49 | C52 | C53 | 179.7° | 177.6° |
| C46 | C49 | C52 | O42 | 58.7° | 57.5° |
| C49 | C46 | C43 | H431 | 76.0° | 63.0° |
| C49 | C46 | O47 | H48 | 180.0° | 180.0° |
| C46 | C49 | O50 | H51 | 180.0° | 59.9° |
| C46 | C49 | C52 | H521 | 60.9° | 62.4° |
| C43 | C46 | C49 | C52 | 51.0° | 56.9° |
| C46 | C43 | O44 | C41 | 122.8° | 119.7° |
| C46 | C43 | O44 | H431 | 119.7° | 120.2° |
| C46 | C43 | C41 | H431 | 121.1° | 120.0° |
| C46 | C43 | C41 | O42 | 47.3° | 57.6° |
| C46 | C43 | C41 | O40 | 164.7° | 177.6° |
| C46 | C43 | C41 | H411 | 74.3° | 62.4° |
| C46 | C43 | O44 | H45 | 180.0° | 179.7° |
| C43 | C46 | O47 | H48 | 56.3° | 60.5° |
| C43 | C46 | C49 | H491 | 69.3° | 62.9° |
| C49 | C52 | C53 | O42 | 119.6° | 120.0° |
| C49 | C52 | C53 | H521 | 119.2° | 120.0° |
| C49 | C52 | O42 | H521 | 119.1° | 119.9° |
| C49 | C52 | C53 | O54 | 177.3° | 175.0° |
| C49 | C52 | O42 | C41 | 61.5° | 61.1° |
| C52 | C49 | C46 | H461 | 69.5° | 62.9° |
| C52 | C49 | O50 | H51 | 58.3° | 179.7° |
| C49 | C52 | C53 | H531 | 57.5° | 54.9° |
| C49 | C52 | C53 | H532 | 62.9° | 65.0° |
| O44 | C43 | C41 | H431 | 118.0° | 120.1° |
| O44 | C43 | C41 | O42 | 168.2° | 177.5° |
| O44 | C43 | C41 | O40 | 74.4° | 62.6° |
| O44 | C43 | C41 | H411 | 46.6° | 57.5° |
| O44 | C43 | C46 | H461 | 43.3° | 57.1° |
| C43 | C41 | O42 | C52 | 56.7° | 61.1° |
| C43 | C41 | O42 | O40 | 119.6° | 120.0° |
| C43 | C41 | O42 | H411 | 121.3° | 120.0° |
| C43 | C41 | O40 | H411 | 120.2° | 120.0° |
| C43 | C41 | O40 | C39 | 146.3° | 171.6° |
| C41 | C43 | O44 | H45 | 57.2° | 60.0° |
| C41 | C43 | C46 | H461 | 75.6° | 62.8° |
| C53 | C52 | O42 | H521 | 121.0° | 120.1° |
| C52 | C53 | O54 | H531 | 119.8° | 120.0° |
| C52 | C53 | O54 | H532 | 119.8° | 120.0° |
| C53 | C52 | O42 | C41 | 178.6° | 178.9° |
| C52 | C53 | O54 | C55 | 97.2° | 180.0° |
| C53 | C52 | C49 | H491 | 59.2° | 57.7° |
| C52 | C53 | H531 | H532 | 120.6° | 120.0° |
| O42 | C52 | C53 | O54 | 63.2° | 65.1° |
| C52 | O42 | C41 | O40 | 176.3° | 178.9° |
| C52 | O42 | C41 | H411 | 64.6° | 58.9° |
| O42 | C52 | C49 | H491 | 61.9° | 62.3° |
| O42 | C52 | C53 | H531 | 177.1° | 174.9° |
| O42 | C52 | C53 | H532 | 56.6° | 55.0° |
| C53 | O54 | C55 | O56 | 6.5° | 0.0° |
| C53 | O54 | C55 | C57 | 174.7° | 180.0° |
| O54 | C53 | C52 | H521 | 58.1° | 55.0° |
| O54 | C53 | H531 | H532 | 120.6° | 120.0° |
| O42 | C41 | O40 | H411 | 118.4° | 120.0° |
| O42 | C41 | O40 | C39 | 92.4° | 68.5° |
| O42 | C41 | C43 | H431 | 73.8° | 62.4° |
| C41 | O42 | C52 | H521 | 57.6° | 58.8° |
| C41 | O40 | C39 | C36 | 135.9° | 144.7° |
| C41 | O40 | C39 | C29 | 102.9° | 95.6° |
| C41 | O40 | C39 | H391 | 18.1° | 24.6° |
| O40 | C41 | C43 | H431 | 43.6° | 57.6° |
| O40 | C39 | C36 | C33 | 66.2° | 62.9° |
| O40 | C39 | C36 | O37 | 52.1° | 56.9° |
| O40 | C39 | C29 | O30 | 64.1° | 62.3° |
| O40 | C39 | C36 | C29 | 120.9° | 119.9° |
| O40 | C39 | C36 | H391 | 118.0° | 120.2° |
| O40 | C39 | C29 | H391 | 121.6° | 120.2° |
| O40 | C39 | C29 | O28 | 177.4° | 177.7° |
| O40 | C39 | C29 | H291 | 58.6° | 57.7° |
| O40 | C39 | C36 | H361 | 172.5° | 177.2° |
| C39 | O40 | C41 | H411 | 26.1° | 51.5° |
| C32 | C31 | C33 | O34 | 62.2° | 62.4° |
| C32 | C31 | C33 | O30 | 120.2° | 120.0° |
| C32 | C31 | C33 | H311 | 120.0° | 120.0° |
| C32 | C31 | C33 | C36 | 177.9° | 177.6° |
| C32 | C31 | O30 | H311 | 118.2° | 120.0° |
| C32 | C31 | O30 | C29 | 176.0° | 178.8° |
| C31 | C32 | H322 | H321 | 120.0° | 119.9° |
| C31 | C32 | H322 | H323 | 120.0° | 120.0° |
| C31 | C32 | H321 | H323 | 120.0° | 120.0° |
| C32 | C31 | C33 | H331 | 57.7° | 57.7° |
| O56 | C55 | O54 | C57 | 178.8° | 180.0° |
| O56 | C55 | C57 | C58 | 10.5° | 0.0° |
| O56 | C55 | C57 | H571 | 169.5° | 180.0° |
| O34 | C33 | C31 | C36 | 119.9° | 119.9° |
| O34 | C33 | C31 | H331 | 119.8° | 120.2° |
| O34 | C33 | C36 | H331 | 119.3° | 120.2° |
| O34 | C33 | C36 | O37 | 63.4° | 63.3° |
| O34 | C33 | C31 | O30 | 177.6° | 177.5° |
| O34 | C33 | C36 | C39 | 178.5° | 176.9° |
| O34 | C33 | C31 | H311 | 57.8° | 57.5° |
| O34 | C33 | C36 | H361 | 57.2° | 57.0° |
| C31 | C33 | C36 | H331 | 119.8° | 119.9° |
| C31 | C33 | C36 | O37 | 175.7° | 176.8° |
| C33 | C31 | O30 | H311 | 119.4° | 120.0° |
| C33 | C31 | O30 | C29 | 53.7° | 61.1° |
| C31 | C33 | C36 | C39 | 57.6° | 57.0° |
| C33 | C31 | C32 | H322 | 180.0° | 59.9° |
| C33 | C31 | C32 | H321 | 60.0° | 60.0° |
| C33 | C31 | C32 | H323 | 60.0° | 180.0° |
| C31 | C33 | O34 | H35 | 180.0° | 59.9° |
| C31 | C33 | C36 | H361 | 63.7° | 62.9° |
| C33 | C36 | O37 | C39 | 119.3° | 119.5° |
| C33 | C36 | O37 | H361 | 120.4° | 120.3° |
| C36 | C33 | C31 | O30 | 57.7° | 57.6° |
| C33 | C36 | C39 | H361 | 121.3° | 119.9° |
| C33 | C36 | C39 | C29 | 54.7° | 57.0° |
| C36 | C33 | C31 | H311 | 62.2° | 62.4° |
| C36 | C33 | O34 | H35 | 58.4° | 179.7° |
| C33 | C36 | O37 | H38 | 180.0° | 60.0° |
| C33 | C36 | C39 | H391 | 175.8° | 176.9° |
| O37 | C36 | C39 | H361 | 120.4° | 120.3° |
| O37 | C36 | C39 | C29 | 173.0° | 176.8° |
| O37 | C36 | C33 | H331 | 55.9° | 56.9° |
| O37 | C36 | C39 | H391 | 65.9° | 63.2° |
| C31 | O30 | C29 | C39 | 51.8° | 61.2° |
| C31 | O30 | C29 | O28 | 63.9° | 58.8° |
| C31 | O30 | C29 | H291 | 174.0° | 178.9° |
| O30 | C31 | C32 | H322 | 57.8° | 60.1° |
| O30 | C31 | C32 | H321 | 62.2° | 180.0° |
| O30 | C31 | C32 | H323 | 177.8° | 60.0° |
| O30 | C31 | C33 | H331 | 62.5° | 62.3° |
| O54 | C55 | C57 | C58 | 168.3° | 180.0° |
| C55 | O54 | C53 | H531 | 143.1° | 60.0° |
| C55 | O54 | C53 | H532 | 22.7° | 60.0° |
| O54 | C55 | C57 | H571 | 11.7° | 0.0° |
| O30 | C29 | C39 | C36 | 52.8° | 57.6° |
| O30 | C29 | C39 | O28 | 118.5° | 120.0° |
| O30 | C29 | C39 | H291 | 122.7° | 120.0° |
| O30 | C29 | O28 | H291 | 121.2° | 120.1° |
| O30 | C29 | O28 | C27 | 107.0° | 72.9° |
| C29 | O30 | C31 | H311 | 65.8° | 58.8° |
| O30 | C29 | C39 | H391 | 174.3° | 177.5° |
| C55 | C57 | C58 | H571 | 180.0° | 179.9° |
| C55 | C57 | C58 | C59 | 179.8° | 180.0° |
| C55 | C57 | C58 | H581 | 0.2° | 0.1° |
| C36 | C39 | C29 | H391 | 121.5° | 119.9° |
| C36 | C39 | C29 | O28 | 65.7° | 62.4° |
| C36 | C39 | C29 | H291 | 175.5° | 177.6° |
| C39 | C36 | C33 | H331 | 62.2° | 62.9° |
| C39 | C36 | O37 | H38 | 60.7° | 179.6° |
| C39 | C29 | O28 | H291 | 117.3° | 119.9° |
| C39 | C29 | O28 | C27 | 131.4° | 167.1° |
| C29 | C39 | C36 | H361 | 66.6° | 62.9° |
| C29 | O28 | C27 | C25 | 63.8° | 3.8° |
| C29 | O28 | C27 | C13 | 127.1° | 176.6° |
| O28 | C29 | C39 | H391 | 55.8° | 57.5° |
| C57 | C58 | C59 | H581 | 180.0° | 180.0° |
| C57 | C58 | C59 | C60 | 158.5° | 180.0° |
| C57 | C58 | C59 | C68 | 21.2° | 0.3° |
| C58 | C59 | C60 | C68 | 179.7° | 179.7° |
| C58 | C59 | C60 | C61 | 179.9° | 180.0° |
| C58 | C59 | C68 | C67 | 179.8° | 179.8° |
| C59 | C58 | C57 | H571 | 0.2° | 0.0° |
| C58 | C59 | C60 | H601 | 0.1° | 0.1° |
| C58 | C59 | C68 | H681 | 0.2° | 0.0° |
| O03 | C02 | C01 | C05 | 179.8° | 180.0° |
| O03 | C02 | C01 | C12 | 179.6° | 180.0° |
| O03 | C02 | C05 | O06 | 0.3° | 0.0° |
| O03 | C02 | C05 | C08 | 179.4° | 180.0° |
| O03 | C02 | C01 | H011 | 0.4° | 0.3° |
| O28 | C27 | C25 | O26 | 14.7° | 0.1° |
| O28 | C27 | C25 | C13 | 168.9° | 179.6° |
| O28 | C27 | C25 | C24 | 164.8° | 180.0° |
| O28 | C27 | C13 | C12 | 3.5° | 0.2° |
| O28 | C27 | C13 | O14 | 157.6° | 179.9° |
| C27 | O28 | C29 | H291 | 14.2° | 47.2° |
| O26 | C25 | C27 | C24 | 179.5° | 179.8° |
| O26 | C25 | C27 | C13 | 176.4° | 179.7° |
| O26 | C25 | C24 | C21 | 1.7° | 0.1° |
| O26 | C25 | C24 | C15 | 177.7° | 180.0° |
| C02 | C01 | C12 | H011 | 180.0° | 179.8° |
| C02 | C01 | C12 | C13 | 178.5° | 179.9° |
| C02 | C01 | C12 | C11 | 1.5° | 0.0° |
| C01 | C02 | C05 | O06 | 179.9° | 180.0° |
| C01 | C02 | C05 | C08 | 0.8° | 0.1° |
| C01 | C02 | O03 | H04 | 180.0° | 90.0° |
| C12 | C01 | C02 | C05 | 0.2° | 0.1° |
| C01 | C12 | C13 | C27 | 71.7° | 47.1° |
| C01 | C12 | C13 | C11 | 177.1° | 180.0° |
| C01 | C12 | C13 | O14 | 131.0° | 132.7° |
| C01 | C12 | C11 | C08 | 1.9° | 0.0° |
| C01 | C12 | C11 | H111 | 178.1° | 180.0° |
| C59 | C60 | C61 | H601 | 180.0° | 179.9° |
| C60 | C59 | C68 | C67 | 0.5° | 0.5° |
| C59 | C60 | C61 | O62 | 179.8° | 180.0° |
| C59 | C60 | C61 | C64 | 0.3° | 0.0° |
| C60 | C59 | C58 | H581 | 21.5° | 0.0° |
| C60 | C59 | C68 | H681 | 179.5° | 179.7° |
| C68 | C59 | C60 | C61 | 0.2° | 0.3° |
| C59 | C68 | C67 | H681 | 180.0° | 179.9° |
| C59 | C68 | C67 | C64 | 0.3° | 0.4° |
| C68 | C59 | C58 | H581 | 158.8° | 179.7° |
| C68 | C59 | C60 | H601 | 179.8° | 179.8° |
| C59 | C68 | C67 | H671 | 179.7° | 179.8° |
| C02 | C05 | O06 | C08 | 179.2° | 180.0° |
| C02 | C05 | C08 | C11 | 0.4° | 0.1° |
| C02 | C05 | C08 | O09 | 179.2° | 180.0° |
| C05 | C02 | C01 | H011 | 179.8° | 179.7° |
| C05 | C02 | O03 | H04 | 0.2° | 89.9° |
| C02 | C05 | O06 | H07 | 180.0° | 90.0° |
| C25 | C27 | C13 | C12 | 165.8° | 179.8° |
| C25 | C27 | C13 | O14 | 11.8° | 0.5° |
| C27 | C25 | C24 | C21 | 178.8° | 179.8° |
| C27 | C25 | C24 | C15 | 1.7° | 0.2° |
| C13 | C27 | C25 | C24 | 4.1° | 0.4° |
| C27 | C13 | C12 | O14 | 157.2° | 179.8° |
| C27 | C13 | C12 | C11 | 111.2° | 132.9° |
| C27 | C13 | O14 | C15 | 12.4° | 0.2° |
| C25 | C24 | C21 | O22 | 0.3° | 0.0° |
| C25 | C24 | C21 | C15 | 179.5° | 179.9° |
| C25 | C24 | C21 | C20 | 179.2° | 179.9° |
| C25 | C24 | C15 | O14 | 0.6° | 0.0° |
| C25 | C24 | C15 | C16 | 179.7° | 180.0° |
| C60 | C61 | O62 | C64 | 179.4° | 180.0° |
| C60 | C61 | C64 | C67 | 0.6° | 0.0° |
| C60 | C61 | C64 | O65 | 179.3° | 179.9° |
| C60 | C61 | O62 | H63 | 180.0° | 90.0° |
| O22 | C21 | C24 | C20 | 179.4° | 180.0° |
| O22 | C21 | C24 | C15 | 179.8° | 180.0° |
| O22 | C21 | C20 | C17 | 179.8° | 180.0° |
| O22 | C21 | C20 | H201 | 0.2° | 0.0° |
| C68 | C67 | C64 | C61 | 0.2° | 0.2° |
| C68 | C67 | C64 | H671 | 180.0° | 179.8° |
| C68 | C67 | C64 | O65 | 179.0° | 179.7° |
| C13 | C12 | C11 | C08 | 178.9° | 179.9° |
| C12 | C13 | O14 | C15 | 169.9° | 180.0° |
| C13 | C12 | C01 | H011 | 1.5° | 0.3° |
| C13 | C12 | C11 | H111 | 1.2° | 0.0° |
| O14 | C13 | C12 | C11 | 46.0° | 47.4° |
| C13 | O14 | C15 | C24 | 6.2° | 0.0° |
| C13 | O14 | C15 | C16 | 173.5° | 180.0° |
| C12 | C11 | C08 | C05 | 0.9° | 0.0° |
| C12 | C11 | C08 | H111 | 180.0° | 180.0° |
| C12 | C11 | C08 | O09 | 179.5° | 179.9° |
| C11 | C12 | C01 | H011 | 178.5° | 179.7° |
| O06 | C05 | C08 | C11 | 179.6° | 180.0° |
| O06 | C05 | C08 | O09 | 0.0° | 0.1° |
| C05 | C08 | C11 | O09 | 179.6° | 179.9° |
| C08 | C05 | O06 | H07 | 0.8° | 90.0° |
| C05 | C08 | O09 | H10 | 180.0° | 85.0° |
| C05 | C08 | C11 | H111 | 179.1° | 180.0° |
| C21 | C24 | C15 | O14 | 179.9° | 180.0° |
| C21 | C24 | C15 | C16 | 0.2° | 0.0° |
| C24 | C21 | C20 | C17 | 0.4° | 0.0° |
| C24 | C21 | C20 | H201 | 179.6° | 180.0° |
| C24 | C21 | O22 | H23 | 1.0° | 90.0° |
| C15 | C24 | C21 | C20 | 0.3° | 0.0° |
| C24 | C15 | O14 | C16 | 179.7° | 180.0° |
| C24 | C15 | C16 | C17 | 0.7° | 0.0° |
| C24 | C15 | C16 | H161 | 179.3° | 180.0° |
| O62 | C61 | C64 | C67 | 180.0° | 180.0° |
| O62 | C61 | C64 | O65 | 1.2° | 0.1° |
| O62 | C61 | C60 | H601 | 0.2° | 0.1° |
| C61 | C64 | C67 | O65 | 178.7° | 179.9° |
| C64 | C61 | C60 | H601 | 179.7° | 179.9° |
| C64 | C61 | O62 | H63 | 0.6° | 89.9° |
| C61 | C64 | O65 | H66 | 180.0° | 89.9° |
| C61 | C64 | C67 | H671 | 179.8° | 180.0° |
| C21 | C20 | C17 | H201 | 180.0° | 179.9° |
| C21 | C20 | C17 | C16 | 0.1° | 0.1° |
| C21 | C20 | C17 | O18 | 179.8° | 180.0° |
| C20 | C21 | O22 | H23 | 178.4° | 90.0° |
| C67 | C64 | O65 | H66 | 1.2° | 90.0° |
| C64 | C67 | C68 | H681 | 179.7° | 179.7° |
| C11 | C08 | O09 | H10 | 0.4° | 94.9° |
| O14 | C15 | C16 | C17 | 179.6° | 180.0° |
| O14 | C15 | C16 | H161 | 0.4° | 0.0° |
| O09 | C08 | C11 | H111 | 0.5° | 0.1° |
| O65 | C64 | C67 | H671 | 1.0° | 0.1° |
| C15 | C16 | C17 | C20 | 0.7° | 0.0° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | O18 | 179.7° | 180.0° |
| C20 | C17 | C16 | O18 | 179.7° | 179.9° |
| C20 | C17 | C16 | H161 | 179.3° | 180.0° |
| C20 | C17 | O18 | H19 | 180.0° | 89.9° |
| C16 | C17 | O18 | H19 | 0.3° | 90.1° |
| C16 | C17 | C20 | H201 | 179.9° | 180.0° |
| O18 | C17 | C16 | H161 | 0.3° | 0.0° |
| O18 | C17 | C20 | H201 | 0.2° | 0.1° |
| H291 | C29 | C39 | H391 | 63.0° | 62.4° |
| H311 | C31 | C32 | H322 | 60.4° | 179.9° |
| H311 | C31 | C32 | H321 | 179.6° | 60.0° |
| H311 | C31 | C32 | H323 | 59.6° | 60.1° |
| H311 | C31 | C33 | H331 | 177.6° | 177.7° |
| H322 | C32 | H321 | H323 | 120.0° | 120.1° |
| H331 | C33 | O34 | H35 | 60.7° | 60.1° |
| H331 | C33 | C36 | H361 | 176.5° | 177.3° |
| H361 | C36 | O37 | H38 | 59.6° | 60.2° |
| H361 | C36 | C39 | H391 | 54.5° | 57.1° |
| H411 | C41 | C43 | H431 | 164.6° | 177.6° |
| H431 | C43 | O44 | H45 | 60.3° | 60.1° |
| H431 | C43 | C46 | H461 | 163.4° | 177.2° |
| H461 | C46 | O47 | H48 | 62.2° | 59.8° |
| H461 | C46 | C49 | H491 | 170.2° | 177.2° |
| H491 | C49 | O50 | H51 | 60.4° | 60.2° |
| H491 | C49 | C52 | H521 | 178.6° | 177.7° |
| H521 | C52 | C53 | H531 | 61.7° | 65.0° |
| H521 | C52 | C53 | H532 | 177.9° | 175.1° |
| H571 | C57 | C58 | H581 | 179.8° | 180.0° |
| H671 | C67 | C68 | H681 | 0.3° | 0.1° |
