WB2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O40 | C38 | doub | 1.21Å | 1.23Å | |
| O19 | C17 | doub | 1.21Å | 1.24Å | |
| C28 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C28 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| O43 | C42 | doub | 1.22Å | 1.19Å | |
| C38 | O39 | sing | 1.34Å | 1.25Å | |
| C38 | C37 | sing | 1.51Å | 1.65Å | |
| C27 | C26 | sing | 1.39Å | 1.42Å | Aromatic |
| O14 | C13 | doub | 1.22Å | 1.22Å | |
| C17 | O18 | sing | 1.34Å | 1.24Å | |
| C17 | C16 | sing | 1.51Å | 1.64Å | |
| C20 | C21 | sing | 1.51Å | 1.56Å | |
| C20 | C37 | sing | 1.54Å | 1.63Å | |
| C20 | C16 | sing | 1.54Å | 1.61Å | |
| C21 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C42 | C44 | sing | 1.48Å | 1.52Å | |
| C42 | N41 | sing | 1.35Å | 1.41Å | |
| C37 | N41 | sing | 1.47Å | 1.47Å | |
| C37 | C56 | sing | 1.54Å | 1.60Å | |
| C45 | C44 | doub | 1.40Å | 1.41Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | O29 | sing | 1.36Å | 1.41Å | |
| C26 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | N15 | sing | 1.46Å | 1.48Å | |
| C16 | C56 | sing | 1.54Å | 1.58Å | |
| C13 | N15 | sing | 1.35Å | 1.39Å | |
| C13 | C12 | sing | 1.48Å | 1.56Å | |
| C44 | C49 | sing | 1.40Å | 1.38Å | Aromatic |
| O29 | C30 | sing | 1.35Å | 1.43Å | |
| O52 | C51 | doub | 1.21Å | 1.20Å | |
| C46 | C47 | doub | 1.39Å | 1.41Å | Aromatic |
| C09 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.37Å | 1.46Å | Aromatic |
| C33 | C32 | doub | 1.37Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C56 | C57 | sing | 1.51Å | 1.58Å | |
| C54 | C53 | sing | 1.53Å | 1.55Å | |
| C23 | O24 | sing | 1.36Å | 1.38Å | |
| C12 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C30 | C32 | sing | 1.46Å | 1.55Å | |
| C30 | O31 | doub | 1.22Å | 1.21Å | |
| C49 | C48 | doub | 1.38Å | 1.41Å | Aromatic |
| C51 | C53 | sing | 1.51Å | 1.58Å | |
| C51 | N50 | sing | 1.35Å | 1.46Å | |
| C08 | C07 | doub | 1.39Å | 1.41Å | Aromatic |
| C34 | C35 | doub | 1.34Å | 1.36Å | Aromatic |
| C47 | C48 | sing | 1.39Å | 1.41Å | Aromatic |
| C47 | N50 | sing | 1.40Å | 1.46Å | |
| C32 | S36 | sing | 1.76Å | 1.76Å | Aromatic |
| C53 | C55 | sing | 1.53Å | 1.54Å | |
| O24 | C25 | sing | 1.43Å | 1.42Å | |
| C57 | C64 | doub | 1.38Å | 1.42Å | Aromatic |
| C57 | C58 | sing | 1.38Å | 1.42Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | S36 | sing | 1.71Å | 1.71Å | Aromatic |
| C07 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C07 | N06 | sing | 1.39Å | 1.45Å | |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C64 | C63 | sing | 1.38Å | 1.41Å | Aromatic |
| C58 | C59 | doub | 1.39Å | 1.42Å | Aromatic |
| N06 | C04 | sing | 1.35Å | 1.45Å | |
| C02 | C04 | sing | 1.51Å | 1.56Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C04 | O05 | doub | 1.21Å | 1.21Å | |
| C63 | C62 | doub | 1.39Å | 1.42Å | Aromatic |
| C59 | C62 | sing | 1.39Å | 1.40Å | Aromatic |
| C59 | O60 | sing | 1.36Å | 1.39Å | |
| C61 | O60 | sing | 1.43Å | 1.42Å | |
| C62 | O65 | sing | 1.36Å | 1.42Å | |
| O67 | C66 | doub | 1.22Å | 1.21Å | |
| O65 | C66 | sing | 1.35Å | 1.40Å | |
| C66 | C68 | sing | 1.46Å | 1.55Å | |
| C68 | S72 | sing | 1.76Å | 1.76Å | Aromatic |
| C68 | C69 | doub | 1.37Å | 1.38Å | Aromatic |
| S72 | C71 | sing | 1.71Å | 1.74Å | Aromatic |
| C69 | C70 | sing | 1.37Å | 1.46Å | Aromatic |
| C71 | C70 | doub | 1.34Å | 1.35Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.08Å | 1.08Å | |
| C33 | H19 | sing | 1.08Å | 1.08Å | |
| C34 | H20 | sing | 1.08Å | 1.08Å | |
| C35 | H21 | sing | 1.08Å | 1.08Å | |
| C45 | H22 | sing | 1.08Å | 1.08Å | |
| C46 | H23 | sing | 1.08Å | 1.08Å | |
| C48 | H24 | sing | 1.08Å | 1.08Å | |
| C49 | H25 | sing | 1.08Å | 1.08Å | |
| C53 | H26 | sing | 1.09Å | 1.10Å | |
| C54 | H27 | sing | 1.09Å | 1.10Å | |
| C54 | H28 | sing | 1.09Å | 1.10Å | |
| C54 | H29 | sing | 1.09Å | 1.10Å | |
| C55 | H30 | sing | 1.09Å | 1.10Å | |
| C55 | H31 | sing | 1.09Å | 1.10Å | |
| C55 | H32 | sing | 1.09Å | 1.10Å | |
| C56 | H33 | sing | 1.09Å | 1.10Å | |
| C58 | H34 | sing | 1.08Å | 1.08Å | |
| C61 | H35 | sing | 1.09Å | 1.10Å | |
| C61 | H36 | sing | 1.09Å | 1.10Å | |
| C61 | H37 | sing | 1.09Å | 1.10Å | |
| C63 | H38 | sing | 1.08Å | 1.08Å | |
| C64 | H39 | sing | 1.08Å | 1.08Å | |
| C69 | H40 | sing | 1.08Å | 1.08Å | |
| C70 | H41 | sing | 1.08Å | 1.08Å | |
| C71 | H42 | sing | 1.08Å | 1.08Å | |
| N06 | H43 | sing | 0.97Å | 1.00Å | |
| N15 | H44 | sing | 0.97Å | 1.00Å | |
| N41 | H45 | sing | 0.97Å | 1.00Å | |
| N50 | H46 | sing | 0.97Å | 1.00Å | |
| O18 | H47 | sing | 0.97Å | 0.95Å | |
| O39 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O40 | C38 | O39 | 124.0° | 120.0° |
| O40 | C38 | C37 | 119.8° | 120.0° |
| O19 | C17 | O18 | 127.3° | 120.0° |
| O19 | C17 | C16 | 117.3° | 120.0° |
| C27 | C28 | C21 | 123.3° | 120.2° |
| C28 | C27 | C26 | 121.8° | 120.0° |
| C28 | C27 | H17 | 119.1° | 120.0° |
| C27 | C28 | H18 | 118.4° | 120.0° |
| C28 | C21 | C20 | 123.1° | 119.9° |
| C28 | C21 | C22 | 112.8° | 120.1° |
| C21 | C28 | H18 | 118.3° | 119.9° |
| O43 | C42 | C44 | 112.2° | 120.0° |
| O43 | C42 | N41 | 122.1° | 120.1° |
| O39 | C38 | C37 | 116.2° | 120.0° |
| C38 | O39 | H48 | 109.5° | 117.0° |
| C38 | C37 | C20 | 113.2° | 113.6° |
| C38 | C37 | N41 | 115.2° | 112.8° |
| C38 | C37 | C56 | 112.3° | 113.7° |
| C27 | C26 | O29 | 124.0° | 120.1° |
| C27 | C26 | C23 | 115.8° | 119.8° |
| C26 | C27 | H17 | 119.1° | 120.0° |
| O14 | C13 | N15 | 120.7° | 120.0° |
| O14 | C13 | C12 | 117.8° | 120.0° |
| O18 | C17 | C16 | 115.3° | 120.0° |
| C17 | O18 | H47 | 109.5° | 117.0° |
| C17 | C16 | C20 | 112.2° | 113.7° |
| C17 | C16 | N15 | 105.8° | 112.9° |
| C17 | C16 | C56 | 114.1° | 113.6° |
| C21 | C20 | C37 | 116.7° | 113.6° |
| C21 | C20 | C16 | 118.2° | 113.6° |
| C20 | C21 | C22 | 124.1° | 119.9° |
| C21 | C20 | H12 | 110.9° | 112.8° |
| C37 | C20 | C16 | 88.9° | 87.1° |
| C20 | C37 | N41 | 112.0° | 113.6° |
| C20 | C37 | C56 | 88.1° | 87.1° |
| C37 | C20 | H12 | 110.0° | 113.6° |
| C20 | C16 | N15 | 116.0° | 113.6° |
| C20 | C16 | C56 | 89.4° | 87.1° |
| C16 | C20 | H12 | 110.3° | 113.7° |
| C21 | C22 | C23 | 125.2° | 120.0° |
| C21 | C22 | H13 | 117.4° | 120.0° |
| C44 | C42 | N41 | 125.6° | 120.0° |
| C42 | C44 | C45 | 118.4° | 120.1° |
| C42 | C44 | C49 | 124.5° | 120.1° |
| C42 | N41 | C37 | 126.4° | 120.0° |
| C42 | N41 | H45 | 116.8° | 120.0° |
| N41 | C37 | C56 | 113.2° | 113.6° |
| C37 | N41 | H45 | 116.8° | 120.0° |
| C37 | C56 | C16 | 90.5° | 87.1° |
| C37 | C56 | C57 | 115.0° | 113.6° |
| C37 | C56 | H33 | 109.4° | 113.6° |
| C44 | C45 | C46 | 121.0° | 119.9° |
| C45 | C44 | C49 | 117.1° | 119.8° |
| C44 | C45 | H22 | 119.5° | 120.0° |
| C45 | C46 | C47 | 122.3° | 120.1° |
| C46 | C45 | H22 | 119.5° | 120.1° |
| C45 | C46 | H23 | 118.8° | 119.9° |
| O29 | C26 | C23 | 120.2° | 120.1° |
| C26 | O29 | C30 | 124.0° | 117.0° |
| C26 | C23 | C22 | 121.1° | 119.9° |
| C26 | C23 | O24 | 117.4° | 120.1° |
| N15 | C16 | C56 | 119.0° | 113.6° |
| C16 | N15 | C13 | 125.4° | 120.0° |
| C16 | N15 | H44 | 117.3° | 120.0° |
| C16 | C56 | C57 | 121.1° | 113.6° |
| C16 | C56 | H33 | 109.6° | 113.6° |
| N15 | C13 | C12 | 121.5° | 120.0° |
| C13 | N15 | H44 | 117.3° | 120.0° |
| C13 | C12 | C09 | 120.9° | 120.1° |
| C13 | C12 | C11 | 124.4° | 120.1° |
| C44 | C49 | C48 | 122.0° | 120.0° |
| C44 | C49 | H25 | 119.0° | 120.0° |
| O29 | C30 | C32 | 126.3° | 120.0° |
| O29 | C30 | O31 | 113.7° | 120.0° |
| O52 | C51 | C53 | 117.9° | 120.0° |
| O52 | C51 | N50 | 120.0° | 120.0° |
| C46 | C47 | C48 | 115.8° | 120.2° |
| C46 | C47 | N50 | 118.3° | 119.9° |
| C47 | C46 | H23 | 118.8° | 120.0° |
| C12 | C09 | C08 | 122.7° | 119.9° |
| C09 | C12 | C11 | 114.8° | 119.9° |
| C12 | C09 | H9 | 118.6° | 120.0° |
| C09 | C08 | C07 | 122.1° | 120.1° |
| C09 | C08 | H8 | 118.9° | 119.9° |
| C08 | C09 | H9 | 118.6° | 120.0° |
| C34 | C33 | C32 | 115.9° | 113.3° |
| C33 | C34 | C35 | 113.5° | 115.1° |
| C34 | C33 | H19 | 122.0° | 123.3° |
| C33 | C34 | H20 | 123.2° | 122.5° |
| C33 | C32 | C30 | 129.3° | 125.5° |
| C33 | C32 | S36 | 104.7° | 109.1° |
| C32 | C33 | H19 | 122.1° | 123.4° |
| C22 | C23 | O24 | 121.5° | 120.0° |
| C23 | C22 | H13 | 117.4° | 120.0° |
| C56 | C57 | C64 | 120.4° | 119.9° |
| C56 | C57 | C58 | 126.1° | 119.9° |
| C57 | C56 | H33 | 109.7° | 113.0° |
| C54 | C53 | C51 | 114.9° | 109.4° |
| C54 | C53 | C55 | 109.0° | 109.5° |
| C54 | C53 | H26 | 107.9° | 109.5° |
| C53 | C54 | H27 | 109.5° | 109.5° |
| C53 | C54 | H28 | 109.5° | 109.5° |
| C53 | C54 | H29 | 109.4° | 109.5° |
| C23 | O24 | C25 | 115.6° | 117.0° |
| C12 | C11 | C10 | 123.0° | 119.9° |
| C12 | C11 | H11 | 118.5° | 120.1° |
| C32 | C30 | O31 | 120.0° | 120.0° |
| C30 | C32 | S36 | 126.0° | 125.5° |
| C49 | C48 | C47 | 121.7° | 120.1° |
| C49 | C48 | H24 | 119.2° | 120.0° |
| C48 | C49 | H25 | 119.0° | 120.1° |
| C53 | C51 | N50 | 122.1° | 120.0° |
| C51 | C53 | C55 | 109.4° | 109.5° |
| C51 | C53 | H26 | 107.6° | 109.5° |
| C51 | N50 | C47 | 122.6° | 120.0° |
| C51 | N50 | H46 | 118.7° | 120.0° |
| C08 | C07 | C10 | 115.4° | 120.2° |
| C08 | C07 | N06 | 120.9° | 119.9° |
| C07 | C08 | H8 | 119.0° | 120.0° |
| C34 | C35 | S36 | 108.6° | 110.9° |
| C35 | C34 | H20 | 123.2° | 122.4° |
| C34 | C35 | H21 | 125.7° | 124.6° |
| C48 | C47 | N50 | 125.9° | 119.9° |
| C47 | C48 | H24 | 119.1° | 120.0° |
| C47 | N50 | H46 | 118.7° | 120.0° |
| C32 | S36 | C35 | 97.3° | 91.6° |
| C55 | C53 | H26 | 107.9° | 109.5° |
| C53 | C55 | H30 | 109.5° | 109.5° |
| C53 | C55 | H31 | 109.5° | 109.5° |
| C53 | C55 | H32 | 109.4° | 109.5° |
| O24 | C25 | H14 | 109.5° | 109.4° |
| O24 | C25 | H15 | 109.5° | 109.5° |
| O24 | C25 | H16 | 109.5° | 109.4° |
| C64 | C57 | C58 | 113.5° | 120.2° |
| C57 | C64 | C63 | 122.5° | 120.1° |
| C57 | C64 | H39 | 118.8° | 119.9° |
| C57 | C58 | C59 | 125.5° | 120.0° |
| C57 | C58 | H34 | 117.2° | 120.0° |
| C11 | C10 | C07 | 122.0° | 120.0° |
| C11 | C10 | H10 | 119.0° | 120.0° |
| C10 | C11 | H11 | 118.5° | 120.0° |
| S36 | C35 | H21 | 125.7° | 124.5° |
| C10 | C07 | N06 | 123.7° | 119.9° |
| C07 | C10 | H10 | 119.0° | 119.9° |
| C07 | N06 | C04 | 121.4° | 120.0° |
| C07 | N06 | H43 | 119.3° | 120.0° |
| C01 | C02 | C04 | 113.4° | 109.5° |
| C01 | C02 | C03 | 109.7° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 107.0° | 109.5° |
| C64 | C63 | C62 | 122.0° | 120.0° |
| C64 | C63 | H38 | 119.0° | 120.0° |
| C63 | C64 | H39 | 118.7° | 119.9° |
| C58 | C59 | C62 | 119.3° | 119.8° |
| C58 | C59 | O60 | 121.2° | 120.1° |
| C59 | C58 | H34 | 117.3° | 120.0° |
| N06 | C04 | C02 | 121.1° | 120.0° |
| N06 | C04 | O05 | 119.6° | 119.9° |
| C04 | N06 | H43 | 119.3° | 119.9° |
| C04 | C02 | C03 | 112.4° | 109.5° |
| C02 | C04 | O05 | 119.4° | 120.0° |
| C04 | C02 | H4 | 106.9° | 109.5° |
| C03 | C02 | H4 | 107.1° | 109.4° |
| C02 | C03 | H5 | 109.5° | 109.5° |
| C02 | C03 | H6 | 109.5° | 109.5° |
| C02 | C03 | H7 | 109.5° | 109.4° |
| C63 | C62 | C59 | 117.2° | 119.8° |
| C63 | C62 | O65 | 122.7° | 120.1° |
| C62 | C63 | H38 | 119.0° | 120.0° |
| C62 | C59 | O60 | 119.5° | 120.1° |
| C59 | C62 | O65 | 120.1° | 120.1° |
| C59 | O60 | C61 | 117.7° | 117.0° |
| O60 | C61 | H35 | 109.5° | 109.4° |
| O60 | C61 | H36 | 109.5° | 109.5° |
| O60 | C61 | H37 | 109.5° | 109.5° |
| C62 | O65 | C66 | 122.2° | 117.0° |
| O67 | C66 | O65 | 115.6° | 120.0° |
| O67 | C66 | C68 | 118.9° | 120.0° |
| O65 | C66 | C68 | 125.5° | 120.0° |
| C66 | C68 | S72 | 126.9° | 125.5° |
| C66 | C68 | C69 | 128.1° | 125.5° |
| S72 | C68 | C69 | 105.0° | 109.0° |
| C68 | S72 | C71 | 95.9° | 91.6° |
| C68 | C69 | C70 | 117.1° | 113.3° |
| C68 | C69 | H40 | 121.5° | 123.3° |
| S72 | C71 | C70 | 109.5° | 111.0° |
| S72 | C71 | H42 | 125.2° | 124.5° |
| C69 | C70 | C71 | 112.5° | 115.1° |
| C70 | C69 | H40 | 121.5° | 123.4° |
| C69 | C70 | H41 | 123.7° | 122.4° |
| C71 | C70 | H41 | 123.7° | 122.5° |
| C70 | C71 | H42 | 125.3° | 124.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H5 | C03 | H7 | 109.5° | 109.4° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H14 | C25 | H15 | 109.5° | 109.5° |
| H14 | C25 | H16 | 109.5° | 109.5° |
| H15 | C25 | H16 | 109.5° | 109.5° |
| H27 | C54 | H28 | 109.4° | 109.5° |
| H27 | C54 | H29 | 109.5° | 109.5° |
| H28 | C54 | H29 | 109.5° | 109.5° |
| H30 | C55 | H31 | 109.5° | 109.5° |
| H30 | C55 | H32 | 109.5° | 109.5° |
| H31 | C55 | H32 | 109.5° | 109.5° |
| H35 | C61 | H36 | 109.5° | 109.5° |
| H35 | C61 | H37 | 109.5° | 109.5° |
| H36 | C61 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O40 | C38 | O39 | C37 | 179.7° | 180.0° |
| O40 | C38 | C37 | C20 | 6.4° | 21.4° |
| O40 | C38 | C37 | N41 | 124.2° | 152.6° |
| O40 | C38 | C37 | C56 | 104.3° | 76.1° |
| O40 | C38 | O39 | H48 | 0.0° | 0.0° |
| O19 | C17 | O18 | C16 | 180.0° | 179.9° |
| O19 | C17 | C16 | C20 | 37.4° | 79.2° |
| O19 | C17 | C16 | N15 | 90.0° | 149.5° |
| O19 | C17 | C16 | C56 | 137.2° | 18.3° |
| O19 | C17 | O18 | H47 | 0.0° | 0.1° |
| C27 | C28 | C21 | H18 | 180.0° | 179.6° |
| C28 | C27 | C26 | H17 | 180.0° | 179.8° |
| C27 | C28 | C21 | C20 | 179.5° | 179.8° |
| C27 | C28 | C21 | C22 | 0.2° | 0.5° |
| C28 | C27 | C26 | O29 | 179.7° | 179.8° |
| C28 | C27 | C26 | C23 | 0.2° | 0.2° |
| C21 | C28 | C27 | C26 | 0.1° | 0.5° |
| C28 | C21 | C20 | C22 | 179.2° | 179.7° |
| C28 | C21 | C20 | C37 | 126.6° | 51.4° |
| C28 | C21 | C20 | C16 | 129.2° | 46.1° |
| C28 | C21 | C22 | C23 | 0.0° | 0.3° |
| C28 | C21 | C20 | H12 | 0.5° | 177.4° |
| C28 | C21 | C22 | H13 | 180.0° | 179.8° |
| C21 | C28 | C27 | H17 | 179.9° | 179.7° |
| O43 | C42 | C44 | N41 | 178.8° | 180.0° |
| O43 | C42 | N41 | C37 | 0.0° | 3.7° |
| O43 | C42 | C44 | C45 | 37.8° | 179.7° |
| O43 | C42 | C44 | C49 | 143.0° | 0.0° |
| O43 | C42 | N41 | H45 | 179.9° | 176.3° |
| O39 | C38 | C37 | C20 | 173.2° | 158.6° |
| O39 | C38 | C37 | N41 | 56.1° | 27.3° |
| O39 | C38 | C37 | C56 | 75.4° | 103.9° |
| C38 | C37 | C20 | C21 | 138.4° | 105.4° |
| C38 | C37 | C20 | N41 | 132.2° | 130.8° |
| C38 | C37 | C20 | C56 | 113.5° | 114.6° |
| C38 | C37 | C20 | C16 | 100.3° | 140.1° |
| C38 | C37 | N41 | C42 | 67.3° | 60.1° |
| C38 | C37 | N41 | C56 | 131.0° | 131.3° |
| C38 | C37 | C56 | C16 | 101.0° | 140.0° |
| C38 | C37 | C56 | C57 | 134.0° | 105.5° |
| C38 | C37 | C20 | H12 | 10.9° | 25.4° |
| C38 | C37 | C56 | H33 | 10.0° | 25.5° |
| C38 | C37 | N41 | H45 | 112.6° | 119.9° |
| C37 | C38 | O39 | H48 | 179.6° | 180.0° |
| C27 | C26 | O29 | C23 | 179.5° | 180.0° |
| C27 | C26 | O29 | C30 | 116.9° | 92.0° |
| C27 | C26 | C23 | C22 | 0.4° | 0.1° |
| C27 | C26 | C23 | O24 | 179.8° | 180.0° |
| C26 | C27 | C28 | H18 | 179.9° | 180.0° |
| O14 | C13 | N15 | C16 | 0.1° | 2.1° |
| O14 | C13 | N15 | C12 | 179.5° | 179.9° |
| O14 | C13 | C12 | C09 | 13.8° | 0.1° |
| O14 | C13 | C12 | C11 | 166.3° | 179.8° |
| O14 | C13 | N15 | H44 | 179.9° | 177.9° |
| O18 | C17 | C16 | C20 | 142.6° | 100.9° |
| O18 | C17 | C16 | N15 | 90.0° | 30.4° |
| O18 | C17 | C16 | C56 | 42.8° | 161.6° |
| C17 | C16 | C20 | C21 | 137.3° | 105.5° |
| C17 | C16 | C20 | C37 | 102.7° | 140.0° |
| C17 | C16 | C20 | N15 | 121.8° | 130.9° |
| C17 | C16 | C20 | C56 | 115.9° | 114.5° |
| C17 | C16 | C56 | C37 | 100.7° | 140.1° |
| C17 | C16 | N15 | C56 | 130.0° | 131.2° |
| C17 | C16 | N15 | C13 | 67.4° | 54.9° |
| C17 | C16 | C56 | C57 | 139.3° | 105.4° |
| C17 | C16 | C20 | H12 | 8.3° | 25.4° |
| C17 | C16 | C56 | H33 | 10.1° | 25.5° |
| C17 | C16 | N15 | H44 | 112.6° | 125.0° |
| C16 | C17 | O18 | H47 | 180.0° | 180.0° |
| C21 | C20 | C37 | C16 | 121.3° | 114.5° |
| C21 | C20 | C37 | H12 | 127.5° | 130.8° |
| C21 | C20 | C16 | H12 | 129.0° | 130.9° |
| C21 | C20 | C37 | N41 | 6.1° | 25.5° |
| C21 | C20 | C37 | C56 | 108.2° | 140.0° |
| C21 | C20 | C16 | N15 | 15.5° | 25.5° |
| C21 | C20 | C16 | C56 | 106.7° | 140.0° |
| C20 | C21 | C22 | C23 | 179.3° | 180.0° |
| C20 | C21 | C22 | H13 | 0.7° | 0.1° |
| C20 | C21 | C28 | H18 | 0.5° | 0.2° |
| C37 | C20 | C16 | H12 | 111.0° | 114.6° |
| C37 | C20 | C21 | C22 | 52.7° | 128.9° |
| C20 | C37 | N41 | C42 | 63.9° | 71.2° |
| C20 | C37 | N41 | C56 | 97.7° | 97.5° |
| C37 | C20 | C16 | N15 | 135.5° | 89.1° |
| C37 | C20 | C16 | C56 | 13.3° | 25.5° |
| C20 | C37 | C56 | C57 | 111.7° | 140.0° |
| C20 | C37 | C56 | H33 | 124.3° | 89.1° |
| C20 | C37 | N41 | H45 | 116.1° | 108.8° |
| C16 | C20 | C21 | C22 | 51.5° | 133.6° |
| C16 | C20 | C37 | N41 | 127.4° | 89.1° |
| C20 | C16 | N15 | C56 | 104.8° | 97.5° |
| C20 | C16 | N15 | C13 | 57.8° | 76.4° |
| C20 | C16 | C56 | C57 | 106.5° | 140.0° |
| C20 | C16 | C56 | H33 | 124.3° | 89.1° |
| C20 | C16 | N15 | H44 | 122.2° | 103.7° |
| C21 | C22 | C23 | C26 | 0.4° | 0.0° |
| C21 | C22 | C23 | H13 | 180.0° | 180.0° |
| C21 | C22 | C23 | O24 | 179.9° | 180.0° |
| C22 | C21 | C20 | H12 | 179.7° | 2.3° |
| C22 | C21 | C28 | H18 | 179.9° | 179.9° |
| C44 | C42 | N41 | C37 | 178.6° | 176.3° |
| C42 | C44 | C45 | C49 | 179.3° | 179.7° |
| C42 | C44 | C45 | C46 | 179.7° | 180.0° |
| C42 | C44 | C49 | C48 | 179.7° | 179.7° |
| C42 | C44 | C45 | H22 | 0.3° | 0.1° |
| C42 | C44 | C49 | H25 | 0.3° | 0.0° |
| C44 | C42 | N41 | H45 | 1.4° | 3.7° |
| C42 | N41 | C37 | H45 | 180.0° | 180.0° |
| C42 | N41 | C37 | C56 | 161.6° | 168.7° |
| N41 | C42 | C44 | C45 | 141.0° | 0.3° |
| N41 | C42 | C44 | C49 | 38.2° | 180.0° |
| N41 | C37 | C56 | C16 | 126.5° | 89.1° |
| N41 | C37 | C56 | C57 | 1.5° | 25.4° |
| N41 | C37 | C20 | H12 | 121.4° | 156.2° |
| N41 | C37 | C56 | H33 | 122.4° | 156.4° |
| C37 | C56 | C16 | N15 | 133.1° | 89.1° |
| C37 | C56 | C16 | C57 | 119.9° | 114.5° |
| C37 | C56 | C16 | H33 | 110.8° | 114.6° |
| C37 | C56 | C57 | H33 | 123.8° | 131.3° |
| C37 | C56 | C57 | C64 | 69.1° | 53.6° |
| C37 | C56 | C57 | C58 | 111.9° | 126.7° |
| C56 | C37 | C20 | H12 | 124.3° | 89.2° |
| C56 | C37 | N41 | H45 | 18.4° | 11.3° |
| C44 | C45 | C46 | H22 | 180.0° | 179.9° |
| C44 | C45 | C46 | C47 | 0.1° | 0.0° |
| C45 | C44 | C49 | C48 | 0.5° | 0.6° |
| C44 | C45 | C46 | H23 | 179.9° | 180.0° |
| C45 | C44 | C49 | H25 | 179.5° | 179.7° |
| C46 | C45 | C44 | C49 | 0.4° | 0.3° |
| C45 | C46 | C47 | H23 | 180.0° | 180.0° |
| C45 | C46 | C47 | C48 | 0.2° | 0.0° |
| C45 | C46 | C47 | N50 | 179.7° | 180.0° |
| O29 | C26 | C23 | C22 | 180.0° | 180.0° |
| O29 | C26 | C23 | O24 | 0.3° | 0.0° |
| C26 | O29 | C30 | C32 | 178.2° | 175.0° |
| C26 | O29 | C30 | O31 | 1.9° | 5.0° |
| O29 | C26 | C27 | H17 | 0.3° | 0.0° |
| C23 | C26 | O29 | C30 | 63.6° | 88.0° |
| C26 | C23 | C22 | O24 | 179.7° | 179.9° |
| C26 | C23 | O24 | C25 | 85.4° | 179.9° |
| C26 | C23 | C22 | H13 | 179.7° | 179.9° |
| C23 | C26 | C27 | H17 | 179.8° | 180.0° |
| C16 | N15 | C13 | H44 | 180.0° | 179.9° |
| C16 | N15 | C13 | C12 | 179.5° | 177.8° |
| N15 | C16 | C56 | C57 | 13.2° | 25.4° |
| N15 | C16 | C20 | H12 | 113.5° | 156.3° |
| N15 | C16 | C56 | H33 | 116.0° | 156.3° |
| C56 | C16 | N15 | C13 | 162.6° | 173.9° |
| C16 | C56 | C57 | H33 | 129.2° | 131.2° |
| C16 | C56 | C57 | C64 | 176.1° | 151.1° |
| C16 | C56 | C57 | C58 | 4.9° | 29.3° |
| C56 | C16 | C20 | H12 | 124.2° | 89.1° |
| C56 | C16 | N15 | H44 | 17.4° | 6.2° |
| N15 | C13 | C12 | C09 | 165.7° | 180.0° |
| N15 | C13 | C12 | C11 | 14.2° | 0.4° |
| C13 | C12 | C09 | C11 | 179.8° | 179.6° |
| C13 | C12 | C09 | C08 | 179.9° | 180.0° |
| C13 | C12 | C11 | C10 | 179.9° | 179.8° |
| C13 | C12 | C09 | H9 | 0.1° | 0.1° |
| C13 | C12 | C11 | H11 | 0.1° | 0.3° |
| C12 | C13 | N15 | H44 | 0.5° | 2.2° |
| C44 | C49 | C48 | H25 | 180.0° | 179.7° |
| C44 | C49 | C48 | C47 | 0.2° | 0.6° |
| C49 | C44 | C45 | H22 | 179.6° | 179.7° |
| C44 | C49 | C48 | H24 | 179.8° | 179.7° |
| O29 | C30 | C32 | C33 | 42.8° | 179.7° |
| O29 | C30 | C32 | O31 | 179.9° | 180.0° |
| O29 | C30 | C32 | S36 | 137.2° | 0.0° |
| O52 | C51 | C53 | C54 | 64.8° | 120.0° |
| O52 | C51 | C53 | N50 | 179.8° | 179.9° |
| O52 | C51 | N50 | C47 | 0.0° | 4.6° |
| O52 | C51 | C53 | C55 | 58.0° | 0.0° |
| O52 | C51 | C53 | H26 | 175.1° | 120.0° |
| O52 | C51 | N50 | H46 | 180.0° | 175.5° |
| C46 | C47 | C48 | C49 | 0.2° | 0.3° |
| C46 | C47 | N50 | C51 | 89.4° | 35.2° |
| C46 | C47 | C48 | N50 | 179.5° | 180.0° |
| C47 | C46 | C45 | H22 | 179.9° | 180.0° |
| C46 | C47 | C48 | H24 | 179.8° | 180.0° |
| C46 | C47 | N50 | H46 | 90.6° | 144.8° |
| C12 | C09 | C08 | H9 | 180.0° | 180.0° |
| C12 | C09 | C08 | C07 | 0.2° | 0.1° |
| C09 | C12 | C11 | C10 | 0.1° | 0.5° |
| C12 | C09 | C08 | H8 | 179.8° | 180.0° |
| C09 | C12 | C11 | H11 | 179.9° | 180.0° |
| C08 | C09 | C12 | C11 | 0.0° | 0.3° |
| C09 | C08 | C07 | H8 | 180.0° | 180.0° |
| C09 | C08 | C07 | C10 | 0.4° | 0.0° |
| C09 | C08 | C07 | N06 | 179.6° | 179.8° |
| C34 | C33 | C32 | H19 | 180.0° | 180.0° |
| C34 | C33 | C32 | C30 | 180.0° | 180.0° |
| C33 | C34 | C35 | H20 | 180.0° | 180.0° |
| C34 | C33 | C32 | S36 | 0.0° | 0.2° |
| C33 | C34 | C35 | S36 | 0.1° | 0.2° |
| C33 | C34 | C35 | H21 | 179.9° | 180.0° |
| C33 | C32 | C30 | S36 | 180.0° | 179.7° |
| C33 | C32 | C30 | O31 | 137.3° | 0.2° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C33 | C32 | S36 | C35 | 0.1° | 0.3° |
| C32 | C33 | C34 | H20 | 180.0° | 180.0° |
| C22 | C23 | O24 | C25 | 94.9° | 0.0° |
| C56 | C57 | C64 | C58 | 179.1° | 179.6° |
| C56 | C57 | C64 | C63 | 179.7° | 179.8° |
| C56 | C57 | C58 | C59 | 179.7° | 179.9° |
| C56 | C57 | C58 | H34 | 0.3° | 0.1° |
| C56 | C57 | C64 | H39 | 0.3° | 0.0° |
| C54 | C53 | C51 | C55 | 122.9° | 120.0° |
| C54 | C53 | C51 | H26 | 120.1° | 120.0° |
| C54 | C53 | C51 | N50 | 115.4° | 60.0° |
| C54 | C53 | C55 | H26 | 116.9° | 120.0° |
| C53 | C54 | H27 | H28 | 120.0° | 120.0° |
| C53 | C54 | H27 | H29 | 120.0° | 120.0° |
| C53 | C54 | H28 | H29 | 120.0° | 120.0° |
| C54 | C53 | C55 | H30 | 180.0° | 180.0° |
| C54 | C53 | C55 | H31 | 60.0° | 60.0° |
| C54 | C53 | C55 | H32 | 60.0° | 60.0° |
| O24 | C23 | C22 | H13 | 0.1° | 0.0° |
| C23 | O24 | C25 | H14 | 180.0° | 180.0° |
| C23 | O24 | C25 | H15 | 60.0° | 59.9° |
| C23 | O24 | C25 | H16 | 60.0° | 60.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.5° |
| C12 | C11 | C10 | C07 | 0.1° | 0.5° |
| C11 | C12 | C09 | H9 | 180.0° | 179.7° |
| C12 | C11 | C10 | H10 | 180.0° | 179.4° |
| C30 | C32 | S36 | C35 | 180.0° | 180.0° |
| C30 | C32 | C33 | H19 | 0.0° | 0.1° |
| O31 | C30 | C32 | S36 | 42.7° | 180.0° |
| C49 | C48 | C47 | H24 | 180.0° | 179.7° |
| C49 | C48 | C47 | N50 | 179.7° | 179.7° |
| C53 | C51 | N50 | C47 | 179.7° | 175.4° |
| C51 | C53 | C55 | H26 | 116.8° | 120.0° |
| C51 | C53 | C54 | H27 | 180.0° | 60.0° |
| C51 | C53 | C54 | H28 | 60.0° | 180.0° |
| C51 | C53 | C54 | H29 | 60.0° | 60.0° |
| C51 | C53 | C55 | H30 | 53.7° | 60.0° |
| C51 | C53 | C55 | H31 | 66.3° | 180.0° |
| C51 | C53 | C55 | H32 | 173.7° | 60.0° |
| C53 | C51 | N50 | H46 | 0.3° | 4.6° |
| C51 | N50 | C47 | C48 | 91.1° | 144.8° |
| C51 | N50 | C47 | H46 | 180.0° | 180.0° |
| N50 | C51 | C53 | C55 | 121.7° | 180.0° |
| N50 | C51 | C53 | H26 | 4.7° | 60.0° |
| C08 | C07 | C10 | C11 | 0.3° | 0.2° |
| C08 | C07 | C10 | N06 | 179.2° | 179.7° |
| C08 | C07 | N06 | C04 | 96.5° | 35.5° |
| C07 | C08 | C09 | H9 | 179.8° | 180.0° |
| C08 | C07 | C10 | H10 | 179.7° | 179.7° |
| C08 | C07 | N06 | H43 | 83.5° | 144.5° |
| C34 | C35 | S36 | C32 | 0.1° | 0.3° |
| C34 | C35 | S36 | H21 | 180.0° | 179.8° |
| C35 | C34 | C33 | H19 | 180.0° | 180.0° |
| C48 | C47 | C46 | H23 | 179.8° | 180.0° |
| C47 | C48 | C49 | H25 | 179.8° | 179.7° |
| C48 | C47 | N50 | H46 | 88.9° | 35.2° |
| N50 | C47 | C46 | H23 | 0.2° | 0.0° |
| N50 | C47 | C48 | H24 | 0.3° | 0.0° |
| S36 | C32 | C33 | H19 | 180.0° | 179.8° |
| C32 | S36 | C35 | H21 | 179.9° | 179.9° |
| C55 | C53 | C54 | H27 | 56.9° | 60.0° |
| C55 | C53 | C54 | H28 | 63.1° | 60.0° |
| C55 | C53 | C54 | H29 | 176.9° | 180.0° |
| C53 | C55 | H30 | H31 | 120.0° | 120.0° |
| C53 | C55 | H30 | H32 | 120.0° | 120.0° |
| C53 | C55 | H31 | H32 | 120.0° | 120.0° |
| O24 | C25 | H14 | H15 | 120.0° | 120.0° |
| O24 | C25 | H14 | H16 | 120.0° | 119.9° |
| O24 | C25 | H15 | H16 | 120.0° | 119.9° |
| C57 | C64 | C63 | H39 | 180.0° | 179.8° |
| C64 | C57 | C58 | C59 | 0.7° | 0.3° |
| C57 | C64 | C63 | C62 | 0.5° | 0.5° |
| C64 | C57 | C56 | H33 | 54.7° | 77.7° |
| C64 | C57 | C58 | H34 | 179.3° | 179.7° |
| C57 | C64 | C63 | H38 | 179.5° | 179.7° |
| C58 | C57 | C64 | C63 | 0.7° | 0.5° |
| C57 | C58 | C59 | H34 | 180.0° | 180.0° |
| C57 | C58 | C59 | C62 | 0.4° | 0.1° |
| C57 | C58 | C59 | O60 | 179.7° | 179.9° |
| C58 | C57 | C56 | H33 | 124.2° | 101.9° |
| C58 | C57 | C64 | H39 | 179.3° | 179.7° |
| C11 | C10 | C07 | H10 | 180.0° | 179.9° |
| C11 | C10 | C07 | N06 | 179.5° | 180.0° |
| S36 | C35 | C34 | H20 | 179.9° | 179.8° |
| C10 | C07 | N06 | C04 | 82.7° | 144.8° |
| C10 | C07 | C08 | H8 | 179.6° | 180.0° |
| C07 | C10 | C11 | H11 | 179.9° | 180.0° |
| C10 | C07 | N06 | H43 | 97.3° | 35.2° |
| C07 | N06 | C04 | H43 | 180.0° | 180.0° |
| C07 | N06 | C04 | C02 | 0.1° | 175.4° |
| C07 | N06 | C04 | O05 | 179.8° | 4.6° |
| N06 | C07 | C08 | H8 | 0.3° | 0.3° |
| N06 | C07 | C10 | H10 | 0.5° | 0.0° |
| C01 | C02 | C04 | N06 | 102.0° | 180.0° |
| C01 | C02 | C04 | C03 | 125.2° | 120.0° |
| C01 | C02 | C04 | H4 | 117.6° | 120.0° |
| C01 | C02 | C03 | H4 | 115.8° | 120.0° |
| C01 | C02 | C04 | O05 | 77.9° | 0.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C01 | C02 | C03 | H5 | 180.0° | 60.0° |
| C01 | C02 | C03 | H6 | 60.0° | 180.0° |
| C01 | C02 | C03 | H7 | 60.0° | 60.0° |
| C64 | C63 | C62 | H38 | 180.0° | 179.7° |
| C64 | C63 | C62 | C59 | 0.2° | 0.3° |
| C64 | C63 | C62 | O65 | 179.9° | 179.8° |
| C58 | C59 | C62 | C63 | 0.2° | 0.1° |
| C58 | C59 | C62 | O60 | 179.8° | 180.0° |
| C58 | C59 | O60 | C61 | 57.1° | 0.0° |
| C58 | C59 | C62 | O65 | 179.9° | 180.0° |
| N06 | C04 | C02 | O05 | 179.9° | 180.0° |
| N06 | C04 | C02 | C03 | 132.8° | 60.0° |
| N06 | C04 | C02 | H4 | 15.6° | 60.0° |
| C04 | C02 | C03 | H4 | 117.1° | 120.0° |
| C04 | C02 | C01 | H1 | 180.0° | 60.0° |
| C04 | C02 | C01 | H2 | 60.0° | 180.0° |
| C04 | C02 | C01 | H3 | 60.0° | 60.0° |
| C04 | C02 | C03 | H5 | 52.8° | 60.0° |
| C04 | C02 | C03 | H6 | 67.2° | 60.0° |
| C04 | C02 | C03 | H7 | 172.8° | 180.0° |
| C02 | C04 | N06 | H43 | 179.9° | 4.6° |
| C03 | C02 | C04 | O05 | 47.3° | 120.0° |
| C03 | C02 | C01 | H1 | 53.4° | 60.0° |
| C03 | C02 | C01 | H2 | 66.6° | 60.0° |
| C03 | C02 | C01 | H3 | 173.4° | 180.0° |
| C02 | C03 | H5 | H6 | 120.0° | 120.0° |
| C02 | C03 | H5 | H7 | 120.0° | 120.0° |
| C02 | C03 | H6 | H7 | 120.0° | 120.0° |
| O05 | C04 | C02 | H4 | 164.5° | 120.0° |
| O05 | C04 | N06 | H43 | 0.2° | 175.4° |
| C63 | C62 | C59 | O65 | 179.8° | 179.9° |
| C63 | C62 | C59 | O60 | 180.0° | 179.9° |
| C63 | C62 | O65 | C66 | 101.9° | 99.7° |
| C62 | C63 | C64 | H39 | 179.5° | 179.7° |
| C62 | C59 | O60 | C61 | 123.1° | 180.0° |
| C59 | C62 | O65 | C66 | 77.9° | 80.4° |
| C62 | C59 | C58 | H34 | 179.5° | 180.0° |
| C59 | C62 | C63 | H38 | 179.8° | 180.0° |
| O60 | C59 | C62 | O65 | 0.3° | 0.0° |
| O60 | C59 | C58 | H34 | 0.3° | 0.0° |
| C59 | O60 | C61 | H35 | 180.0° | 60.0° |
| C59 | O60 | C61 | H36 | 60.0° | 60.0° |
| C59 | O60 | C61 | H37 | 60.0° | 180.0° |
| O60 | C61 | H35 | H36 | 120.0° | 120.0° |
| O60 | C61 | H35 | H37 | 120.0° | 120.0° |
| O60 | C61 | H36 | H37 | 120.0° | 120.0° |
| C62 | O65 | C66 | O67 | 15.0° | 5.0° |
| C62 | O65 | C66 | C68 | 165.0° | 175.0° |
| O65 | C62 | C63 | H38 | 0.0° | 0.1° |
| O67 | C66 | O65 | C68 | 180.0° | 180.0° |
| O67 | C66 | C68 | S72 | 54.9° | 180.0° |
| O67 | C66 | C68 | C69 | 125.0° | 0.3° |
| O65 | C66 | C68 | S72 | 125.1° | 0.0° |
| O65 | C66 | C68 | C69 | 55.0° | 179.7° |
| C66 | C68 | S72 | C69 | 179.9° | 179.8° |
| C66 | C68 | S72 | C71 | 179.9° | 180.0° |
| C66 | C68 | C69 | C70 | 179.9° | 180.0° |
| C66 | C68 | C69 | H40 | 0.1° | 0.0° |
| S72 | C68 | C69 | C70 | 0.0° | 0.2° |
| C68 | S72 | C71 | C70 | 0.0° | 0.3° |
| S72 | C68 | C69 | H40 | 180.0° | 179.8° |
| C68 | S72 | C71 | H42 | 180.0° | 179.9° |
| C69 | C68 | S72 | C71 | 0.0° | 0.3° |
| C68 | C69 | C70 | H40 | 180.0° | 180.0° |
| C68 | C69 | C70 | C71 | 0.0° | 0.0° |
| C68 | C69 | C70 | H41 | 179.9° | 180.0° |
| S72 | C71 | C70 | C69 | 0.1° | 0.2° |
| S72 | C71 | C70 | H42 | 180.0° | 179.8° |
| S72 | C71 | C70 | H41 | 179.9° | 179.8° |
| C69 | C70 | C71 | H41 | 180.0° | 180.0° |
| C69 | C70 | C71 | H42 | 180.0° | 180.0° |
| C71 | C70 | C69 | H40 | 180.0° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H1 | C01 | C02 | H4 | 62.4° | NaN° |
| H2 | C01 | C02 | H4 | 177.6° | 60.0° |
| H3 | C01 | C02 | H4 | 57.6° | 60.1° |
| H4 | C02 | C03 | H5 | 64.3° | 180.0° |
| H4 | C02 | C03 | H6 | 175.7° | 60.0° |
| H4 | C02 | C03 | H7 | 55.7° | 60.0° |
| H5 | C03 | H6 | H7 | 120.0° | 120.0° |
| H8 | C08 | C09 | H9 | 0.3° | 0.0° |
| H10 | C10 | C11 | H11 | 0.1° | 0.0° |
| H14 | C25 | H15 | H16 | 120.0° | 120.1° |
| H17 | C27 | C28 | H18 | 0.1° | 0.2° |
| H19 | C33 | C34 | H20 | 0.0° | 0.0° |
| H20 | C34 | C35 | H21 | 0.1° | 0.0° |
| H22 | C45 | C46 | H23 | 0.1° | 0.1° |
| H24 | C48 | C49 | H25 | 0.2° | 0.0° |
| H26 | C53 | C54 | H27 | 60.1° | 180.0° |
| H26 | C53 | C54 | H28 | 179.9° | 60.0° |
| H26 | C53 | C54 | H29 | 59.9° | 60.0° |
| H26 | C53 | C55 | H30 | 63.1° | 60.0° |
| H26 | C53 | C55 | H31 | 176.9° | 60.0° |
| H26 | C53 | C55 | H32 | 56.9° | 180.0° |
| H27 | C54 | H28 | H29 | 120.0° | 120.0° |
| H30 | C55 | H31 | H32 | 120.0° | 120.0° |
| H35 | C61 | H36 | H37 | 120.0° | 120.0° |
| H38 | C63 | C64 | H39 | 0.5° | 0.0° |
| H40 | C69 | C70 | H41 | 0.1° | 0.0° |
| H41 | C70 | C71 | H42 | 0.1° | 0.0° |
