Obsolete: BCW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C12 | sing | 1.43Å | 1.44Å | |
| O09 | C04 | sing | 1.43Å | 1.44Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| O19 | C13 | sing | 1.43Å | 1.42Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C05 | O10 | sing | 1.43Å | 1.44Å | |
| C05 | O06 | sing | 1.43Å | 1.46Å | |
| O10 | C11 | sing | 1.43Å | 1.44Å | |
| O08 | C03 | sing | 1.43Å | 1.42Å | |
| C11 | C16 | sing | 1.53Å | 1.54Å | |
| O06 | C01 | sing | 1.43Å | 1.43Å | |
| O17 | C02 | sing | 1.43Å | 1.45Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C44 | C37 | sing | 1.53Å | 1.52Å | |
| C14 | C20 | sing | 1.53Å | 1.53Å | |
| C14 | O15 | sing | 1.43Å | 1.44Å | |
| C20 | O21 | sing | 1.43Å | 1.43Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C01 | C07 | sing | 1.53Å | 1.53Å | |
| C38 | O43 | sing | 1.43Å | 1.44Å | |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C16 | O15 | sing | 1.43Å | 1.45Å | |
| C16 | O22 | sing | 1.43Å | 1.45Å | |
| C37 | O36 | sing | 1.43Å | 1.45Å | |
| O22 | C23 | sing | 1.43Å | 1.45Å | |
| C32 | C31 | sing | 1.51Å | 1.52Å | |
| O42 | C39 | sing | 1.43Å | 1.44Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| O36 | C35 | sing | 1.43Å | 1.45Å | |
| O33 | C31 | doub | 1.21Å | 1.42Å | |
| C31 | N30 | sing | 1.35Å | 1.44Å | |
| N30 | C26 | sing | 1.47Å | 1.45Å | |
| C23 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | C27 | sing | 1.53Å | 1.54Å | |
| C40 | C35 | sing | 1.53Å | 1.54Å | |
| C40 | O41 | sing | 1.43Å | 1.43Å | |
| C35 | O34 | sing | 1.43Å | 1.43Å | |
| O34 | C27 | sing | 1.43Å | 1.43Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C25 | O29 | sing | 1.43Å | 1.44Å | |
| C25 | O24 | sing | 1.43Å | 1.43Å | |
| C28 | O24 | sing | 1.43Å | 1.43Å | |
| C28 | C45 | sing | 1.53Å | 1.54Å | |
| C45 | O46 | sing | 1.43Å | 1.45Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C07 | H07 | sing | 1.09Å | 1.10Å | |
| C07 | H07A | sing | 1.09Å | 1.10Å | |
| C07 | H07B | sing | 1.09Å | 1.10Å | |
| O08 | HO08 | sing | 0.97Å | 0.95Å | |
| O09 | HO09 | sing | 0.97Å | 0.95Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| O17 | HO17 | sing | 0.97Å | 0.95Å | |
| O18 | HO18 | sing | 0.97Å | 0.95Å | |
| O19 | HO19 | sing | 0.97Å | 0.95Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| O29 | H451 | sing | 0.97Å | 0.95Å | |
| N30 | HN30 | sing | 0.97Å | 1.00Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| O41 | HO41 | sing | 0.97Å | 0.95Å | |
| O42 | HO42 | sing | 0.97Å | 0.95Å | |
| O43 | HO43 | sing | 0.97Å | 0.95Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44B | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| O46 | HO46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C12 | C13 | 108.2° | 109.5° |
| O18 | C12 | C11 | 109.7° | 109.6° |
| O18 | C12 | H12 | 109.8° | 109.7° |
| C12 | O18 | HO18 | 109.5° | 114.0° |
| O09 | C04 | C05 | 110.4° | 109.5° |
| O09 | C04 | C03 | 112.5° | 109.6° |
| O09 | C04 | H04 | 108.5° | 109.6° |
| C04 | O09 | HO09 | 109.5° | 114.0° |
| C13 | C12 | C11 | 112.0° | 109.0° |
| C12 | C13 | O19 | 107.7° | 109.6° |
| C12 | C13 | C14 | 111.2° | 109.2° |
| C12 | C13 | H13 | 109.5° | 109.6° |
| C13 | C12 | H12 | 108.6° | 109.5° |
| C12 | C11 | O10 | 109.8° | 109.5° |
| C12 | C11 | C16 | 112.7° | 109.2° |
| C12 | C11 | H11 | 108.3° | 109.6° |
| C11 | C12 | H12 | 108.5° | 109.5° |
| C05 | C04 | C03 | 110.7° | 109.1° |
| C04 | C05 | O10 | 106.4° | 109.5° |
| C04 | C05 | O06 | 111.1° | 109.4° |
| C05 | C04 | H04 | 107.3° | 109.5° |
| C04 | C05 | H05 | 108.0° | 109.5° |
| C04 | C03 | O08 | 108.2° | 109.6° |
| C04 | C03 | C02 | 111.9° | 109.0° |
| C04 | C03 | H03 | 108.6° | 109.5° |
| C03 | C04 | H04 | 107.3° | 109.5° |
| O19 | C13 | C14 | 108.0° | 109.5° |
| O19 | C13 | H13 | 111.0° | 109.5° |
| C13 | O19 | HO19 | 109.5° | 114.0° |
| C13 | C14 | C20 | 111.1° | 109.5° |
| C13 | C14 | O15 | 110.4° | 109.4° |
| C14 | C13 | H13 | 109.4° | 109.5° |
| C13 | C14 | H14 | 107.5° | 109.5° |
| O10 | C05 | O06 | 113.0° | 109.5° |
| C05 | O10 | C11 | 116.5° | 114.0° |
| O10 | C05 | H05 | 109.3° | 109.5° |
| C05 | O06 | C01 | 117.1° | 114.1° |
| O06 | C05 | H05 | 108.9° | 109.5° |
| O10 | C11 | C16 | 108.1° | 109.5° |
| O10 | C11 | H11 | 109.6° | 109.5° |
| O08 | C03 | C02 | 109.3° | 109.6° |
| O08 | C03 | H03 | 110.2° | 109.5° |
| C03 | O08 | HO08 | 109.5° | 114.0° |
| C11 | C16 | O15 | 113.0° | 109.4° |
| C11 | C16 | O22 | 108.3° | 109.5° |
| C16 | C11 | H11 | 108.3° | 109.5° |
| C11 | C16 | H16 | 106.8° | 109.5° |
| O06 | C01 | C02 | 109.5° | 109.4° |
| O06 | C01 | C07 | 110.7° | 109.5° |
| O06 | C01 | H01 | 108.0° | 109.5° |
| O17 | C02 | C03 | 108.7° | 109.6° |
| O17 | C02 | C01 | 111.5° | 109.6° |
| O17 | C02 | H02 | 110.8° | 109.5° |
| C02 | O17 | HO17 | 109.5° | 114.0° |
| C03 | C02 | C01 | 106.7° | 109.2° |
| C03 | C02 | H02 | 109.5° | 109.5° |
| C02 | C03 | H03 | 108.6° | 109.6° |
| C44 | C37 | C38 | 110.8° | 109.5° |
| C44 | C37 | O36 | 112.0° | 109.5° |
| C44 | C37 | H37 | 107.1° | 109.5° |
| C37 | C44 | H44A | 109.5° | 109.5° |
| C37 | C44 | H44 | 109.5° | 109.4° |
| C37 | C44 | H44B | 109.5° | 109.4° |
| C20 | C14 | O15 | 111.6° | 109.5° |
| C14 | C20 | O21 | 107.5° | 109.5° |
| C14 | C20 | H20 | 109.9° | 109.5° |
| C14 | C20 | H20A | 110.0° | 109.4° |
| C20 | C14 | H14 | 107.5° | 109.4° |
| C14 | O15 | C16 | 115.6° | 114.1° |
| O15 | C14 | H14 | 108.6° | 109.5° |
| O21 | C20 | H20 | 109.9° | 109.5° |
| O21 | C20 | H20A | 109.9° | 109.5° |
| C20 | O21 | HO21 | 109.5° | 114.0° |
| C02 | C01 | C07 | 114.9° | 109.5° |
| C02 | C01 | H01 | 106.7° | 109.5° |
| C01 | C02 | H02 | 109.5° | 109.6° |
| C07 | C01 | H01 | 106.8° | 109.5° |
| C01 | C07 | H07 | 109.5° | 109.5° |
| C01 | C07 | H07A | 109.5° | 109.5° |
| C01 | C07 | H07B | 109.5° | 109.5° |
| O43 | C38 | C37 | 110.5° | 109.5° |
| O43 | C38 | C39 | 109.9° | 109.5° |
| O43 | C38 | H38 | 110.1° | 109.5° |
| C38 | O43 | HO43 | 109.5° | 114.0° |
| C37 | C38 | C39 | 108.9° | 109.2° |
| C38 | C37 | O36 | 111.6° | 109.4° |
| C38 | C37 | H37 | 107.0° | 109.5° |
| C37 | C38 | H38 | 108.7° | 109.5° |
| C38 | C39 | O42 | 112.1° | 109.5° |
| C38 | C39 | C40 | 109.8° | 109.1° |
| C39 | C38 | H38 | 108.7° | 109.6° |
| C38 | C39 | H39 | 107.7° | 109.5° |
| O15 | C16 | O22 | 112.6° | 109.5° |
| O15 | C16 | H16 | 107.9° | 109.5° |
| C16 | O22 | C23 | 115.9° | 114.0° |
| O22 | C16 | H16 | 107.9° | 109.5° |
| C37 | O36 | C35 | 116.1° | 114.1° |
| O36 | C37 | H37 | 108.0° | 109.5° |
| O22 | C23 | C26 | 111.7° | 109.6° |
| O22 | C23 | C27 | 113.0° | 109.5° |
| O22 | C23 | H23 | 106.8° | 109.6° |
| C32 | C31 | O33 | 111.6° | 120.0° |
| C32 | C31 | N30 | 111.2° | 120.0° |
| C31 | C32 | H32A | 109.5° | 109.5° |
| C31 | C32 | H32 | 109.5° | 109.5° |
| C31 | C32 | H32B | 109.5° | 109.5° |
| O42 | C39 | C40 | 110.5° | 109.6° |
| O42 | C39 | H39 | 108.9° | 109.6° |
| C39 | O42 | HO42 | 109.5° | 114.0° |
| C39 | C40 | C35 | 110.8° | 109.2° |
| C39 | C40 | O41 | 108.9° | 109.5° |
| C40 | C39 | H39 | 107.6° | 109.5° |
| C39 | C40 | H40 | 108.4° | 109.6° |
| O36 | C35 | C40 | 111.1° | 109.4° |
| O36 | C35 | O34 | 112.7° | 109.4° |
| O36 | C35 | H35 | 109.4° | 109.5° |
| O33 | C31 | N30 | 106.3° | 120.0° |
| C31 | N30 | C26 | 120.1° | 120.0° |
| C31 | N30 | HN30 | 119.9° | 120.0° |
| N30 | C26 | C23 | 108.1° | 109.6° |
| N30 | C26 | C25 | 109.7° | 109.5° |
| N30 | C26 | H26 | 109.4° | 109.5° |
| C26 | N30 | HN30 | 119.9° | 120.0° |
| C26 | C23 | C27 | 113.0° | 109.0° |
| C23 | C26 | C25 | 113.0° | 109.2° |
| C23 | C26 | H26 | 108.4° | 109.5° |
| C26 | C23 | H23 | 105.8° | 109.5° |
| C23 | C27 | O34 | 105.8° | 109.5° |
| C23 | C27 | C28 | 109.4° | 109.1° |
| C27 | C23 | H23 | 105.8° | 109.6° |
| C23 | C27 | H27 | 109.8° | 109.5° |
| C35 | C40 | O41 | 110.4° | 109.5° |
| C40 | C35 | O34 | 105.4° | 109.5° |
| C40 | C35 | H35 | 108.3° | 109.5° |
| C35 | C40 | H40 | 108.4° | 109.5° |
| O41 | C40 | H40 | 109.9° | 109.5° |
| C40 | O41 | HO41 | 109.5° | 114.0° |
| C35 | O34 | C27 | 117.7° | 114.0° |
| O34 | C35 | H35 | 109.7° | 109.5° |
| O34 | C27 | C28 | 110.8° | 109.5° |
| O34 | C27 | H27 | 111.3° | 109.6° |
| C26 | C25 | O29 | 110.9° | 109.5° |
| C26 | C25 | O24 | 111.4° | 109.4° |
| C25 | C26 | H26 | 108.3° | 109.5° |
| C26 | C25 | H25 | 106.8° | 109.5° |
| C27 | C28 | O24 | 109.6° | 109.4° |
| C27 | C28 | C45 | 114.7° | 109.5° |
| C27 | C28 | H28 | 107.7° | 109.5° |
| C28 | C27 | H27 | 109.7° | 109.5° |
| O29 | C25 | O24 | 111.2° | 109.4° |
| O29 | C25 | H25 | 108.1° | 109.5° |
| C25 | O29 | H451 | 109.5° | 114.0° |
| C25 | O24 | C28 | 117.0° | 114.1° |
| O24 | C25 | H25 | 108.2° | 109.5° |
| O24 | C28 | C45 | 107.9° | 109.5° |
| O24 | C28 | H28 | 109.1° | 109.5° |
| C28 | C45 | O46 | 112.3° | 109.5° |
| C45 | C28 | H28 | 107.7° | 109.5° |
| C28 | C45 | H45 | 108.8° | 109.5° |
| C28 | C45 | H45A | 108.8° | 109.5° |
| O46 | C45 | H45 | 108.8° | 109.4° |
| O46 | C45 | H45A | 108.8° | 109.5° |
| C45 | O46 | HO46 | 109.5° | 114.0° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| H07 | C07 | H07A | 109.4° | 109.5° |
| H07 | C07 | H07B | 109.4° | 109.5° |
| H07A | C07 | H07B | 109.5° | 109.5° |
| H32A | C32 | H32 | 109.4° | 109.4° |
| H32A | C32 | H32B | 109.4° | 109.5° |
| H32 | C32 | H32B | 109.5° | 109.4° |
| H44A | C44 | H44 | 109.5° | 109.5° |
| H44A | C44 | H44B | 109.5° | 109.5° |
| H44 | C44 | H44B | 109.5° | 109.5° |
| H45 | C45 | H45A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C12 | C13 | C11 | 121.0° | 119.9° |
| O18 | C12 | C13 | H12 | 119.2° | 120.3° |
| O18 | C12 | C11 | H12 | 120.0° | 120.3° |
| O18 | C12 | C13 | O19 | 54.2° | 56.9° |
| O18 | C12 | C13 | C14 | 172.4° | 176.8° |
| O18 | C12 | C11 | O10 | 73.8° | 63.2° |
| O18 | C12 | C11 | C16 | 165.6° | 176.8° |
| O18 | C12 | C13 | H13 | 66.6° | 63.2° |
| O18 | C12 | C11 | H11 | 45.8° | 56.9° |
| O09 | C04 | C05 | C03 | 125.3° | 119.9° |
| O09 | C04 | C05 | H04 | 118.0° | 120.2° |
| O09 | C04 | C03 | H04 | 119.2° | 120.3° |
| O09 | C04 | C05 | O10 | 48.5° | 57.5° |
| O09 | C04 | C05 | O06 | 171.8° | 177.5° |
| O09 | C04 | C03 | O08 | 62.4° | 63.2° |
| O09 | C04 | C03 | C02 | 177.1° | 176.9° |
| O09 | C04 | C03 | H03 | 57.2° | 57.0° |
| O09 | C04 | C05 | H05 | 68.8° | 62.5° |
| C13 | C12 | C11 | H12 | 119.9° | 119.8° |
| C12 | C13 | O19 | C14 | 120.3° | 119.7° |
| C12 | C13 | O19 | H13 | 119.8° | 120.2° |
| C12 | C13 | C14 | H13 | 121.1° | 120.0° |
| C13 | C12 | C11 | O10 | 166.1° | 176.9° |
| C13 | C12 | C11 | C16 | 45.4° | 57.0° |
| C12 | C13 | C14 | C20 | 179.2° | 177.6° |
| C12 | C13 | C14 | O15 | 56.5° | 57.6° |
| C13 | C12 | C11 | H11 | 74.3° | 63.0° |
| C12 | C13 | C14 | H14 | 61.8° | 62.4° |
| C13 | C12 | O18 | HO18 | 180.0° | 60.0° |
| C12 | C13 | O19 | HO19 | 180.0° | 179.7° |
| C11 | C12 | C13 | O19 | 66.8° | 63.0° |
| C11 | C12 | C13 | C14 | 51.4° | 56.9° |
| C12 | C11 | O10 | C05 | 102.8° | 59.9° |
| C12 | C11 | O10 | C16 | 123.4° | 119.7° |
| C12 | C11 | O10 | H11 | 118.8° | 120.1° |
| C12 | C11 | C16 | H11 | 119.8° | 120.0° |
| C12 | C11 | C16 | O15 | 44.7° | 57.6° |
| C12 | C11 | C16 | O22 | 170.2° | 177.6° |
| C11 | C12 | C13 | H13 | 172.4° | 176.8° |
| C12 | C11 | C16 | H16 | 73.8° | 62.3° |
| C11 | C12 | O18 | HO18 | 57.5° | 179.6° |
| C05 | C04 | C03 | H04 | 116.7° | 119.8° |
| C04 | C05 | O10 | O06 | 122.2° | 119.9° |
| C04 | C05 | O10 | H05 | 116.4° | 120.0° |
| C04 | C05 | O06 | H05 | 118.8° | 120.0° |
| C04 | C05 | O10 | C11 | 170.5° | 163.9° |
| C05 | C04 | C03 | O08 | 173.6° | 176.9° |
| C04 | C05 | O06 | C01 | 52.6° | 61.2° |
| C05 | C04 | C03 | C02 | 53.1° | 57.0° |
| C05 | C04 | C03 | H03 | 66.8° | 62.9° |
| C05 | C04 | O09 | HO09 | 180.0° | 60.0° |
| C03 | C04 | C05 | O10 | 76.8° | 62.4° |
| C03 | C04 | C05 | O06 | 46.6° | 57.6° |
| C04 | C03 | O08 | C02 | 122.1° | 119.6° |
| C04 | C03 | O08 | H03 | 118.6° | 120.2° |
| C04 | C03 | C02 | O17 | 61.3° | 63.0° |
| C04 | C03 | C02 | H03 | 119.9° | 119.9° |
| C04 | C03 | C02 | C01 | 59.0° | 57.0° |
| C04 | C03 | C02 | H02 | 177.5° | 176.9° |
| C03 | C04 | C05 | H05 | 166.0° | 177.6° |
| C04 | C03 | O08 | HO08 | 180.0° | 60.4° |
| C03 | C04 | O09 | HO09 | 55.8° | 179.6° |
| O19 | C13 | C14 | H13 | 120.9° | 120.1° |
| O19 | C13 | C14 | C20 | 62.8° | 57.6° |
| O19 | C13 | C14 | O15 | 61.6° | 62.4° |
| O19 | C13 | C12 | H12 | 173.3° | 177.2° |
| O19 | C13 | C14 | H14 | 179.9° | 177.6° |
| C13 | C14 | C20 | O15 | 123.7° | 120.0° |
| C13 | C14 | C20 | H14 | 117.4° | 120.0° |
| C13 | C14 | O15 | H14 | 117.6° | 120.0° |
| C13 | C14 | C20 | O21 | 176.2° | 175.0° |
| C13 | C14 | O15 | C16 | 57.8° | 61.2° |
| C13 | C14 | C20 | H20 | 64.1° | 54.9° |
| C13 | C14 | C20 | H20A | 56.5° | 65.0° |
| C14 | C13 | C12 | H12 | 68.4° | 62.9° |
| C14 | C13 | O19 | HO19 | 59.7° | 60.0° |
| O10 | C05 | O06 | H05 | 121.7° | 120.0° |
| C05 | O10 | C11 | C16 | 133.8° | 59.8° |
| O10 | C05 | O06 | C01 | 66.9° | 58.8° |
| O10 | C05 | C04 | H04 | 166.5° | 177.7° |
| C05 | O10 | C11 | H11 | 16.0° | 179.9° |
| O06 | C05 | O10 | C11 | 67.3° | 76.2° |
| C05 | O06 | C01 | C02 | 60.2° | 61.2° |
| C05 | O06 | C01 | C07 | 172.2° | 178.9° |
| C05 | O06 | C01 | H01 | 55.7° | 58.8° |
| O06 | C05 | C04 | H04 | 70.1° | 62.3° |
| O10 | C11 | C16 | H11 | 118.6° | 120.1° |
| O10 | C11 | C16 | O15 | 166.3° | 177.5° |
| O10 | C11 | C16 | O22 | 68.3° | 62.5° |
| C11 | O10 | C05 | H05 | 54.1° | 43.8° |
| O10 | C11 | C12 | H12 | 46.1° | 57.1° |
| O10 | C11 | C16 | H16 | 47.7° | 57.5° |
| O08 | C03 | C02 | O17 | 58.5° | 57.0° |
| O08 | C03 | C02 | H03 | 120.3° | 120.2° |
| O08 | C03 | C02 | C01 | 178.9° | 176.9° |
| O08 | C03 | C02 | H02 | 62.7° | 63.1° |
| O08 | C03 | C04 | H04 | 56.8° | 57.0° |
| C11 | C16 | O15 | C14 | 52.2° | 61.2° |
| C11 | C16 | O15 | O22 | 123.1° | 120.0° |
| C11 | C16 | O15 | H16 | 117.9° | 120.0° |
| C11 | C16 | O22 | H16 | 115.3° | 120.1° |
| C11 | C16 | O22 | C23 | 171.4° | 177.1° |
| C16 | C11 | C12 | H12 | 74.5° | 62.8° |
| O06 | C01 | C02 | O17 | 58.4° | 62.4° |
| O06 | C01 | C02 | C03 | 60.2° | 57.6° |
| O06 | C01 | C02 | C07 | 125.2° | 119.9° |
| O06 | C01 | C02 | H01 | 116.6° | 120.0° |
| O06 | C01 | C07 | H01 | 117.3° | 120.0° |
| O06 | C01 | C02 | H02 | 178.6° | 177.5° |
| C01 | O06 | C05 | H05 | 171.4° | 178.8° |
| O06 | C01 | C07 | H07 | 180.0° | 175.9° |
| O06 | C01 | C07 | H07A | 60.0° | 56.0° |
| O06 | C01 | C07 | H07B | 60.0° | 64.1° |
| O17 | C02 | C03 | C01 | 120.3° | 120.0° |
| O17 | C02 | C03 | H02 | 121.2° | 120.1° |
| O17 | C02 | C01 | H02 | 123.0° | 120.1° |
| O17 | C02 | C01 | C07 | 66.9° | 57.6° |
| O17 | C02 | C01 | H01 | 175.0° | 177.6° |
| O17 | C02 | C03 | H03 | 178.8° | 177.1° |
| C03 | C02 | C01 | H02 | 118.4° | 119.9° |
| C03 | C02 | C01 | C07 | 174.6° | 177.6° |
| C03 | C02 | C01 | H01 | 56.4° | 62.4° |
| C02 | C03 | C04 | H04 | 63.7° | 62.9° |
| C02 | C03 | O08 | HO08 | 57.9° | 179.9° |
| C03 | C02 | O17 | HO17 | 180.0° | 179.8° |
| C44 | C37 | C38 | O43 | 60.3° | 57.6° |
| C44 | C37 | C38 | O36 | 125.6° | 120.0° |
| C44 | C37 | C38 | H37 | 116.5° | 120.1° |
| C44 | C37 | C38 | C39 | 178.8° | 177.5° |
| C44 | C37 | O36 | H37 | 117.7° | 120.0° |
| C44 | C37 | O36 | C35 | 179.5° | 178.9° |
| C44 | C37 | C38 | H38 | 60.5° | 62.5° |
| C37 | C44 | H44A | H44 | 120.0° | 120.0° |
| C37 | C44 | H44A | H44B | 120.0° | 120.0° |
| C37 | C44 | H44 | H44B | 120.0° | 119.9° |
| C20 | C14 | O15 | H14 | 118.3° | 120.0° |
| C14 | C20 | O21 | H20 | 119.7° | 120.0° |
| C14 | C20 | O21 | H20A | 119.7° | 119.9° |
| C20 | C14 | O15 | C16 | 178.1° | 178.8° |
| C20 | C14 | C13 | H13 | 58.1° | 62.4° |
| C14 | C20 | H20 | H20A | 120.9° | 119.9° |
| C14 | C20 | O21 | HO21 | 180.0° | 179.9° |
| O15 | C14 | C20 | O21 | 52.6° | 65.0° |
| C14 | O15 | C16 | O22 | 175.3° | 178.8° |
| O15 | C14 | C13 | H13 | 177.5° | 177.5° |
| O15 | C14 | C20 | H20 | 172.2° | 174.9° |
| O15 | C14 | C20 | H20A | 67.1° | 54.9° |
| C14 | O15 | C16 | H16 | 65.7° | 58.8° |
| O21 | C20 | H20 | H20A | 120.9° | 120.0° |
| O21 | C20 | C14 | H14 | 66.4° | 55.0° |
| C02 | C01 | C07 | H01 | 118.1° | 120.1° |
| C01 | C02 | C03 | H03 | 60.8° | 62.9° |
| C02 | C01 | C07 | H07 | 55.4° | 64.2° |
| C02 | C01 | C07 | H07A | 175.4° | 175.8° |
| C02 | C01 | C07 | H07B | 64.6° | 55.8° |
| C01 | C02 | O17 | HO17 | 62.7° | 60.0° |
| C07 | C01 | C02 | H02 | 56.2° | 62.5° |
| C01 | C07 | H07 | H07A | 120.0° | 120.0° |
| C01 | C07 | H07 | H07B | 120.0° | 120.0° |
| C01 | C07 | H07A | H07B | 120.0° | 120.0° |
| O43 | C38 | C37 | C39 | 120.8° | 119.9° |
| O43 | C38 | C37 | H38 | 120.9° | 120.1° |
| O43 | C38 | C39 | H38 | 120.5° | 120.1° |
| O43 | C38 | C37 | O36 | 65.3° | 62.3° |
| O43 | C38 | C39 | O42 | 59.6° | 57.0° |
| O43 | C38 | C39 | C40 | 63.7° | 63.0° |
| O43 | C38 | C37 | H37 | 176.8° | 177.7° |
| O43 | C38 | C39 | H39 | 179.4° | 177.2° |
| C37 | C38 | C39 | H38 | 118.3° | 120.0° |
| C38 | C37 | O36 | H37 | 117.3° | 120.0° |
| C37 | C38 | C39 | O42 | 179.2° | 176.9° |
| C37 | C38 | C39 | C40 | 57.5° | 56.9° |
| C38 | C37 | O36 | C35 | 54.5° | 61.1° |
| C37 | C38 | C39 | H39 | 59.4° | 62.9° |
| C37 | C38 | O43 | HO43 | 180.0° | 59.9° |
| C38 | C37 | C44 | H44A | 180.0° | 59.9° |
| C38 | C37 | C44 | H44 | 60.0° | 60.1° |
| C38 | C37 | C44 | H44B | 60.0° | 180.0° |
| C39 | C38 | C37 | O36 | 55.6° | 57.6° |
| C38 | C39 | O42 | C40 | 122.9° | 119.6° |
| C38 | C39 | O42 | H39 | 119.1° | 120.2° |
| C38 | C39 | C40 | H39 | 116.9° | 119.8° |
| C38 | C39 | C40 | C35 | 56.7° | 56.9° |
| C38 | C39 | C40 | O41 | 178.3° | 176.8° |
| C39 | C38 | C37 | H37 | 62.4° | 62.4° |
| C38 | C39 | C40 | H40 | 62.2° | 63.0° |
| C38 | C39 | O42 | HO42 | 180.0° | 180.0° |
| C39 | C38 | O43 | HO43 | 59.8° | 179.6° |
| O15 | C16 | O22 | H16 | 119.0° | 120.0° |
| O15 | C16 | O22 | C23 | 62.9° | 63.0° |
| O15 | C16 | C11 | H11 | 75.1° | 62.4° |
| C16 | O15 | C14 | H14 | 59.8° | 58.8° |
| C16 | O22 | C23 | C26 | 100.6° | 89.3° |
| C16 | O22 | C23 | C27 | 130.7° | 151.1° |
| O22 | C16 | C11 | H11 | 50.4° | 57.6° |
| C16 | O22 | C23 | H23 | 14.7° | 30.9° |
| C37 | O36 | C35 | C40 | 52.3° | 61.1° |
| C37 | O36 | C35 | O34 | 65.7° | 58.8° |
| C37 | O36 | C35 | H35 | 171.9° | 178.9° |
| O36 | C37 | C38 | H38 | 173.9° | 177.6° |
| O36 | C37 | C44 | H44A | 54.6° | 60.0° |
| O36 | C37 | C44 | H44 | 65.4° | 180.0° |
| O36 | C37 | C44 | H44B | 174.6° | 60.0° |
| O22 | C23 | C26 | N30 | 64.0° | 63.3° |
| O22 | C23 | C26 | C27 | 128.8° | 119.8° |
| O22 | C23 | C26 | H23 | 115.9° | 120.2° |
| O22 | C23 | C27 | H23 | 116.6° | 120.2° |
| O22 | C23 | C27 | O34 | 61.2° | 63.2° |
| O22 | C23 | C26 | C25 | 174.5° | 176.8° |
| O22 | C23 | C27 | C28 | 179.3° | 176.9° |
| O22 | C23 | C26 | H26 | 54.5° | 56.9° |
| C23 | O22 | C16 | H16 | 56.1° | 57.1° |
| O22 | C23 | C27 | H27 | 58.9° | 57.0° |
| C32 | C31 | O33 | N30 | 121.4° | 180.0° |
| C32 | C31 | N30 | C26 | 169.4° | 180.0° |
| C32 | C31 | N30 | HN30 | 10.6° | 0.1° |
| C31 | C32 | H32A | H32 | 120.0° | 120.0° |
| C31 | C32 | H32A | H32B | 120.0° | 120.1° |
| C31 | C32 | H32 | H32B | 120.0° | 120.0° |
| O42 | C39 | C40 | H39 | 118.8° | 120.3° |
| O42 | C39 | C40 | C35 | 179.1° | 176.9° |
| O42 | C39 | C40 | O41 | 57.5° | 63.2° |
| O42 | C39 | C38 | H38 | 61.0° | 63.2° |
| O42 | C39 | C40 | H40 | 62.0° | 57.0° |
| C39 | C40 | C35 | O36 | 52.4° | 57.6° |
| C39 | C40 | C35 | O41 | 120.7° | 119.9° |
| C39 | C40 | C35 | H40 | 118.9° | 120.0° |
| C39 | C40 | O41 | H40 | 118.6° | 120.2° |
| C39 | C40 | C35 | O34 | 69.9° | 62.4° |
| C39 | C40 | C35 | H35 | 172.7° | 177.6° |
| C40 | C39 | C38 | H38 | 175.8° | 176.9° |
| C39 | C40 | O41 | HO41 | 180.0° | 180.0° |
| C40 | C39 | O42 | HO42 | 57.1° | 60.4° |
| O36 | C35 | C40 | O34 | 122.4° | 119.9° |
| O36 | C35 | C40 | H35 | 120.2° | 120.0° |
| O36 | C35 | C40 | O41 | 173.1° | 177.5° |
| O36 | C35 | O34 | H35 | 122.2° | 120.1° |
| O36 | C35 | O34 | C27 | 77.9° | 71.3° |
| C35 | O36 | C37 | H37 | 62.8° | 58.8° |
| O36 | C35 | C40 | H40 | 66.5° | 62.4° |
| O33 | C31 | N30 | C26 | 47.8° | 0.0° |
| O33 | C31 | N30 | HN30 | 132.3° | 179.9° |
| O33 | C31 | C32 | H32A | 0.0° | 180.0° |
| O33 | C31 | C32 | H32 | 120.0° | 60.1° |
| O33 | C31 | C32 | H32B | 120.0° | 59.9° |
| C31 | N30 | C26 | HN30 | 180.0° | 179.9° |
| C31 | N30 | C26 | C23 | 153.6° | 155.3° |
| C31 | N30 | C26 | C25 | 82.8° | 85.0° |
| C31 | N30 | C26 | H26 | 35.8° | 35.1° |
| N30 | C31 | C32 | H32A | 118.5° | 0.0° |
| N30 | C31 | C32 | H32 | 1.4° | 120.0° |
| N30 | C31 | C32 | H32B | 121.5° | 120.0° |
| N30 | C26 | C23 | C25 | 121.6° | 119.9° |
| N30 | C26 | C23 | H26 | 118.4° | 120.2° |
| N30 | C26 | C23 | C27 | 167.3° | 176.9° |
| N30 | C26 | C25 | H26 | 119.3° | 120.1° |
| N30 | C26 | C25 | O29 | 40.6° | 57.6° |
| N30 | C26 | C25 | O24 | 165.1° | 177.5° |
| N30 | C26 | C23 | H23 | 51.9° | 57.0° |
| N30 | C26 | C25 | H25 | 77.0° | 62.5° |
| C26 | C23 | C27 | H23 | 115.3° | 119.9° |
| C26 | C23 | C27 | O34 | 170.7° | 176.9° |
| C23 | C26 | C25 | H26 | 120.0° | 119.9° |
| C26 | C23 | C27 | C28 | 51.2° | 57.0° |
| C23 | C26 | C25 | O29 | 80.1° | 62.4° |
| C23 | C26 | C25 | O24 | 44.4° | 57.6° |
| C23 | C26 | C25 | H25 | 162.4° | 177.6° |
| C26 | C23 | C27 | H27 | 69.2° | 62.9° |
| C23 | C26 | N30 | HN30 | 26.4° | 24.6° |
| C23 | C27 | O34 | C35 | 138.6° | 140.2° |
| C23 | C27 | O34 | C28 | 118.5° | 119.7° |
| C23 | C27 | O34 | H27 | 119.1° | 120.1° |
| C27 | C23 | C26 | C25 | 45.7° | 57.0° |
| C23 | C27 | C28 | H27 | 120.5° | 119.9° |
| C23 | C27 | C28 | O24 | 56.5° | 57.6° |
| C23 | C27 | C28 | C45 | 178.1° | 177.6° |
| C27 | C23 | C26 | H26 | 74.3° | 62.9° |
| C23 | C27 | C28 | H28 | 62.0° | 62.4° |
| C35 | C40 | O41 | H40 | 119.6° | 120.1° |
| C40 | C35 | O34 | H35 | 116.4° | 120.1° |
| C40 | C35 | O34 | C27 | 160.7° | 168.8° |
| C35 | C40 | C39 | H39 | 60.3° | 62.9° |
| C35 | C40 | O41 | HO41 | 58.1° | 60.3° |
| O41 | C40 | C35 | O34 | 50.8° | 57.6° |
| O41 | C40 | C35 | H35 | 66.6° | 62.5° |
| O41 | C40 | C39 | H39 | 61.3° | 57.0° |
| C35 | O34 | C27 | C28 | 102.9° | 100.1° |
| C35 | O34 | C27 | H27 | 19.5° | 20.1° |
| O34 | C35 | C40 | H40 | 171.2° | 177.7° |
| O34 | C27 | C28 | H27 | 123.3° | 120.2° |
| O34 | C27 | C28 | O24 | 172.8° | 177.5° |
| O34 | C27 | C28 | C45 | 65.6° | 62.5° |
| O34 | C27 | C28 | H28 | 54.3° | 57.5° |
| O34 | C27 | C23 | H23 | 55.4° | 57.0° |
| C27 | O34 | C35 | H35 | 44.3° | 48.7° |
| C26 | C25 | O29 | O24 | 124.6° | 119.9° |
| C26 | C25 | O29 | H25 | 116.8° | 120.1° |
| C26 | C25 | O24 | H25 | 117.1° | 120.0° |
| C26 | C25 | O24 | C28 | 54.0° | 61.1° |
| C25 | C26 | C23 | H23 | 69.6° | 62.9° |
| C26 | C25 | O29 | H451 | 180.0° | 180.0° |
| C25 | C26 | N30 | HN30 | 97.2° | 95.1° |
| C27 | C28 | O24 | C25 | 60.7° | 61.2° |
| C27 | C28 | O24 | C45 | 125.6° | 120.0° |
| C27 | C28 | O24 | H28 | 117.7° | 120.0° |
| C27 | C28 | C45 | H28 | 119.9° | 120.0° |
| C27 | C28 | C45 | O46 | 76.8° | 176.8° |
| C28 | C27 | C23 | H23 | 64.1° | 62.9° |
| C27 | C28 | C45 | H45 | 162.8° | 56.9° |
| C27 | C28 | C45 | H45A | 43.6° | 63.1° |
| O29 | C25 | O24 | H25 | 118.5° | 120.0° |
| O29 | C25 | O24 | C28 | 70.4° | 58.8° |
| O29 | C25 | C26 | H26 | 159.9° | 177.7° |
| C25 | O24 | C28 | C45 | 173.7° | 178.9° |
| O24 | C25 | C26 | H26 | 75.6° | 62.3° |
| C25 | O24 | C28 | H28 | 57.0° | 58.8° |
| O24 | C25 | O29 | H451 | 55.4° | 60.1° |
| O24 | C28 | C45 | H28 | 117.6° | 120.1° |
| O24 | C28 | C45 | O46 | 45.7° | 63.3° |
| C28 | O24 | C25 | H25 | 171.1° | 178.8° |
| O24 | C28 | C27 | H27 | 63.9° | 62.3° |
| O24 | C28 | C45 | H45 | 74.7° | 176.8° |
| O24 | C28 | C45 | H45A | 166.1° | 56.8° |
| C28 | C45 | O46 | H45 | 120.4° | 120.0° |
| C28 | C45 | O46 | H45A | 120.4° | 120.1° |
| C45 | C28 | C27 | H27 | 57.6° | 57.7° |
| C28 | C45 | H45 | H45A | 118.7° | 120.0° |
| C28 | C45 | O46 | HO46 | 180.0° | 180.0° |
| O46 | C45 | C28 | H28 | 163.3° | 56.8° |
| O46 | C45 | H45 | H45A | 118.7° | 120.0° |
| H13 | C13 | C12 | H12 | 52.6° | 57.0° |
| H13 | C13 | C14 | H14 | 59.2° | 57.5° |
| H13 | C13 | O19 | HO19 | 60.2° | 60.1° |
| H20 | C20 | C14 | H14 | 53.2° | 65.0° |
| H20 | C20 | O21 | HO21 | 60.4° | 60.0° |
| H20A | C20 | C14 | H14 | 173.9° | 175.0° |
| H20A | C20 | O21 | HO21 | 60.3° | 60.0° |
| H26 | C26 | C23 | H23 | 170.4° | 177.2° |
| H26 | C26 | C25 | H25 | 42.3° | 57.7° |
| H26 | C26 | N30 | HN30 | 144.2° | 144.8° |
| H28 | C28 | C27 | H27 | 177.5° | 177.8° |
| H28 | C28 | C45 | H45 | 42.9° | 63.2° |
| H28 | C28 | C45 | H45A | 76.3° | 176.8° |
| H01 | C01 | C02 | H02 | 62.0° | 57.5° |
| H01 | C01 | C07 | H07 | 62.7° | 55.9° |
| H01 | C01 | C07 | H07A | 57.3° | 64.1° |
| H01 | C01 | C07 | H07B | 177.3° | 175.9° |
| H02 | C02 | C03 | H03 | 57.6° | 57.1° |
| H02 | C02 | O17 | HO17 | 59.6° | 60.2° |
| H03 | C03 | C04 | H04 | 176.5° | 177.2° |
| H03 | C03 | O08 | HO08 | 61.4° | 59.8° |
| H04 | C04 | C05 | H05 | 49.3° | 57.7° |
| H04 | C04 | O09 | HO09 | 62.7° | 60.1° |
| H07 | C07 | H07A | H07B | 119.9° | 120.0° |
| H11 | C11 | C12 | H12 | 165.7° | 177.2° |
| H11 | C11 | C16 | H16 | 166.4° | 177.7° |
| H12 | C12 | O18 | HO18 | 61.6° | 60.2° |
| H23 | C23 | C27 | H27 | 175.5° | 177.2° |
| H25 | C25 | O29 | H451 | 63.2° | 59.9° |
| H32A | C32 | H32 | H32B | 120.0° | 120.0° |
| H35 | C35 | C40 | H40 | 53.8° | 57.6° |
| H37 | C37 | C38 | H38 | 55.9° | 57.6° |
| H37 | C37 | C44 | H44A | 63.6° | 180.0° |
| H37 | C37 | C44 | H44 | 176.4° | 60.0° |
| H37 | C37 | C44 | H44B | 56.4° | 60.0° |
| H38 | C38 | C39 | H39 | 58.9° | 57.0° |
| H38 | C38 | O43 | HO43 | 59.9° | 60.2° |
| H39 | C39 | C40 | H40 | 179.2° | 177.2° |
| H39 | C39 | O42 | HO42 | 60.9° | 59.8° |
| H40 | C40 | O41 | HO41 | 61.4° | 59.8° |
| H44A | C44 | H44 | H44B | 120.0° | 120.1° |
| H45 | C45 | O46 | HO46 | 59.6° | 60.0° |
| H45A | C45 | O46 | HO46 | 59.6° | 60.0° |
