HUT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.51Å | 1.45Å | |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| O29 | C17 | doub | 1.21Å | 1.24Å | |
| N05 | C06 | sing | 1.47Å | 1.46Å | |
| N05 | C04 | sing | 1.47Å | 1.45Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C06 | C17 | sing | 1.51Å | 1.56Å | |
| C08 | C09 | doub | 1.34Å | 1.39Å | Aromatic |
| C08 | C12 | sing | 1.46Å | 1.41Å | Aromatic |
| C09 | N10 | sing | 1.37Å | 1.40Å | Aromatic |
| C17 | N18 | sing | 1.35Å | 1.39Å | |
| C12 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| N10 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.37Å | 1.40Å | Aromatic |
| N18 | C19 | sing | 1.46Å | 1.45Å | |
| C11 | C16 | doub | 1.39Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C28 | C22 | sing | 1.50Å | 1.54Å | |
| C28 | C27 | sing | 1.54Å | 1.54Å | |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.46Å | 1.54Å | |
| C24 | C25 | sing | 1.54Å | 1.52Å | |
| C22 | C23 | sing | 1.54Å | 1.58Å | |
| C27 | C26 | sing | 1.54Å | 1.54Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| 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 | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| N05 | H37 | sing | 1.01Å | 1.00Å | |
| N10 | H39 | sing | 0.97Å | 1.00Å | |
| N18 | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C07 | C08 | 112.0° | 109.5° |
| C07 | C06 | N05 | 112.6° | 109.4° |
| C07 | C06 | C17 | 107.8° | 109.5° |
| C07 | C06 | H10 | 109.4° | 109.5° |
| C06 | C07 | H11 | 108.8° | 109.5° |
| C06 | C07 | H12 | 108.8° | 109.5° |
| C07 | C08 | C09 | 125.0° | 126.5° |
| C07 | C08 | C12 | 126.5° | 126.5° |
| C08 | C07 | H11 | 108.8° | 109.4° |
| C08 | C07 | H12 | 108.8° | 109.5° |
| C02 | C03 | C04 | 112.1° | 109.5° |
| C03 | C02 | C01 | 113.9° | 109.5° |
| C03 | C02 | H4 | 108.4° | 109.5° |
| C03 | C02 | H5 | 108.3° | 109.4° |
| C02 | C03 | H6 | 108.8° | 109.5° |
| C02 | C03 | H7 | 108.8° | 109.5° |
| C03 | C04 | N05 | 110.9° | 109.5° |
| C04 | C03 | H6 | 108.8° | 109.5° |
| C04 | C03 | H7 | 108.8° | 109.4° |
| C03 | C04 | H8 | 109.1° | 109.5° |
| C03 | C04 | H9 | 109.1° | 109.4° |
| O29 | C17 | C06 | 123.5° | 120.0° |
| O29 | C17 | N18 | 120.5° | 120.0° |
| C06 | N05 | C04 | 114.8° | 111.0° |
| N05 | C06 | C17 | 107.7° | 109.4° |
| N05 | C06 | H10 | 110.4° | 109.5° |
| C06 | N05 | H37 | 108.1° | 111.0° |
| N05 | C04 | H8 | 109.1° | 109.5° |
| N05 | C04 | H9 | 109.1° | 109.4° |
| C04 | N05 | H37 | 108.1° | 110.9° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.3° | 109.4° |
| C01 | C02 | H5 | 108.3° | 109.5° |
| C06 | C17 | N18 | 116.0° | 120.0° |
| C17 | C06 | H10 | 108.9° | 109.5° |
| C09 | C08 | C12 | 108.5° | 107.0° |
| C08 | C09 | N10 | 108.8° | 109.9° |
| C08 | C09 | H13 | 125.6° | 125.0° |
| C08 | C12 | C13 | 134.9° | 134.0° |
| C08 | C12 | C11 | 107.3° | 106.1° |
| C09 | N10 | C11 | 107.6° | 109.9° |
| N10 | C09 | H13 | 125.6° | 125.1° |
| C09 | N10 | H39 | 126.2° | 125.1° |
| C17 | N18 | C19 | 120.3° | 120.0° |
| C17 | N18 | H40 | 119.8° | 120.0° |
| C13 | C12 | C11 | 117.8° | 119.9° |
| C12 | C13 | C14 | 119.6° | 119.7° |
| C12 | C13 | H14 | 120.2° | 120.1° |
| C12 | C11 | N10 | 107.8° | 107.1° |
| C12 | C11 | C16 | 122.7° | 119.4° |
| N10 | C11 | C16 | 129.4° | 133.5° |
| C11 | N10 | H39 | 126.2° | 125.1° |
| C13 | C14 | C15 | 122.0° | 120.5° |
| C14 | C13 | H14 | 120.2° | 120.1° |
| C13 | C14 | H15 | 119.0° | 119.7° |
| N18 | C19 | C20 | 112.1° | 109.5° |
| N18 | C19 | H18 | 108.8° | 109.5° |
| N18 | C19 | H19 | 108.8° | 109.4° |
| C19 | N18 | H40 | 119.9° | 120.0° |
| C11 | C16 | C15 | 117.6° | 119.8° |
| C11 | C16 | H17 | 121.2° | 120.1° |
| C19 | C20 | C21 | 110.7° | 109.5° |
| C20 | C19 | H18 | 108.8° | 109.5° |
| C20 | C19 | H19 | 108.8° | 109.4° |
| C19 | C20 | H20 | 109.2° | 109.5° |
| C19 | C20 | H21 | 109.1° | 109.5° |
| C22 | C21 | C20 | 113.1° | 109.5° |
| C21 | C22 | C28 | 114.2° | 109.6° |
| C21 | C22 | C23 | 113.5° | 109.6° |
| C22 | C21 | H22 | 108.6° | 109.5° |
| C22 | C21 | H23 | 108.5° | 109.5° |
| C21 | C22 | H24 | 105.4° | 109.6° |
| C21 | C20 | H20 | 109.1° | 109.5° |
| C21 | C20 | H21 | 109.2° | 109.5° |
| C20 | C21 | H22 | 108.5° | 109.5° |
| C20 | C21 | H23 | 108.6° | 109.4° |
| C22 | C28 | C27 | 116.3° | 112.5° |
| C28 | C22 | C23 | 112.4° | 108.5° |
| C28 | C22 | H24 | 105.3° | 109.8° |
| C22 | C28 | H35 | 107.8° | 108.9° |
| C22 | C28 | H36 | 107.7° | 108.9° |
| C28 | C27 | C26 | 115.9° | 112.8° |
| C28 | C27 | H33 | 107.9° | 108.8° |
| C28 | C27 | H34 | 107.8° | 108.7° |
| C27 | C28 | H35 | 107.7° | 108.8° |
| C27 | C28 | H36 | 107.7° | 108.9° |
| C14 | C15 | C16 | 120.1° | 120.6° |
| C15 | C14 | H15 | 119.0° | 119.7° |
| C14 | C15 | H16 | 119.9° | 119.6° |
| C16 | C15 | H16 | 120.0° | 119.7° |
| C15 | C16 | H17 | 121.2° | 120.1° |
| C23 | C24 | C25 | 114.6° | 112.4° |
| C24 | C23 | C22 | 119.6° | 112.4° |
| C24 | C23 | H25 | 106.9° | 108.9° |
| C24 | C23 | H26 | 106.9° | 108.8° |
| C23 | C24 | H27 | 108.2° | 108.9° |
| C23 | C24 | H28 | 108.2° | 108.9° |
| C24 | C25 | C26 | 112.3° | 108.5° |
| C25 | C24 | H27 | 108.2° | 108.9° |
| C25 | C24 | H28 | 108.2° | 108.9° |
| C24 | C25 | H29 | 108.8° | 109.6° |
| C24 | C25 | H30 | 108.8° | 109.7° |
| C23 | C22 | H24 | 104.9° | 109.6° |
| C22 | C23 | H25 | 106.9° | 109.0° |
| C22 | C23 | H26 | 106.9° | 108.9° |
| C27 | C26 | C25 | 113.9° | 112.5° |
| C27 | C26 | H31 | 108.4° | 108.9° |
| C27 | C26 | H32 | 108.4° | 108.8° |
| C26 | C27 | H33 | 107.8° | 108.8° |
| C26 | C27 | H34 | 107.8° | 108.8° |
| C26 | C25 | H29 | 108.8° | 109.6° |
| C26 | C25 | H30 | 108.8° | 109.6° |
| C25 | C26 | H31 | 108.4° | 108.8° |
| C25 | C26 | H32 | 108.4° | 108.8° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H11 | C07 | H12 | 109.5° | 109.4° |
| H18 | C19 | H19 | 109.4° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.4° |
| H22 | C21 | H23 | 109.5° | 109.4° |
| H25 | C23 | H26 | 109.5° | 108.8° |
| H27 | C24 | H28 | 109.5° | 108.8° |
| H29 | C25 | H30 | 109.4° | 109.8° |
| H31 | C26 | H32 | 109.5° | 108.8° |
| H33 | C27 | H34 | 109.5° | 108.8° |
| H35 | C28 | H36 | 109.5° | 108.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C07 | C08 | H11 | 120.4° | 120.1° |
| C06 | C07 | C08 | H12 | 120.4° | 120.0° |
| C07 | C06 | C17 | O29 | 60.9° | 97.6° |
| C07 | C06 | N05 | C17 | 118.7° | 120.0° |
| C07 | C06 | N05 | H10 | 122.5° | 120.0° |
| C07 | C06 | N05 | C04 | 177.5° | 157.0° |
| C07 | C06 | C17 | H10 | 118.6° | 120.0° |
| C06 | C07 | C08 | C09 | 110.0° | 94.9° |
| C06 | C07 | C08 | C12 | 68.2° | 84.7° |
| C07 | C06 | C17 | N18 | 119.3° | 82.3° |
| C06 | C07 | H11 | H12 | 118.8° | 120.0° |
| C07 | C06 | N05 | H37 | 61.8° | 79.1° |
| C08 | C07 | C06 | N05 | 157.1° | 65.3° |
| C08 | C07 | C06 | C17 | 84.2° | 174.8° |
| C07 | C08 | C09 | C12 | 178.5° | 179.6° |
| C07 | C08 | C09 | N10 | 178.9° | 179.9° |
| C07 | C08 | C12 | C13 | 1.4° | 0.1° |
| C07 | C08 | C12 | C11 | 178.9° | 179.9° |
| C08 | C07 | C06 | H10 | 34.1° | 54.7° |
| C08 | C07 | H11 | H12 | 118.8° | 119.9° |
| C07 | C08 | C09 | H13 | 1.1° | 0.2° |
| C02 | C03 | C04 | H6 | 120.4° | 120.1° |
| C02 | C03 | C04 | H7 | 120.4° | 120.0° |
| C02 | C03 | C04 | N05 | 160.0° | 180.0° |
| C03 | C02 | C01 | H4 | 120.7° | 120.0° |
| C03 | C02 | C01 | H5 | 120.7° | 120.0° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 179.9° |
| C03 | C02 | H4 | H5 | 118.0° | 120.0° |
| C02 | C03 | H6 | H7 | 118.8° | 120.0° |
| C02 | C03 | C04 | H8 | 39.7° | 59.9° |
| C02 | C03 | C04 | H9 | 79.8° | 60.1° |
| C03 | C04 | N05 | C06 | 178.3° | 176.0° |
| C03 | C04 | N05 | H8 | 120.2° | 120.1° |
| C03 | C04 | N05 | H9 | 120.2° | 119.9° |
| C04 | C03 | C02 | C01 | 154.8° | 179.9° |
| C04 | C03 | C02 | H4 | 34.1° | 60.0° |
| C04 | C03 | C02 | H5 | 84.6° | 60.1° |
| C04 | C03 | H6 | H7 | 118.8° | 120.0° |
| C03 | C04 | H8 | H9 | 119.4° | 120.0° |
| C03 | C04 | N05 | H37 | 57.5° | 52.0° |
| O29 | C17 | C06 | N05 | 60.8° | 22.3° |
| O29 | C17 | C06 | N18 | 179.8° | 180.0° |
| O29 | C17 | N18 | C19 | 0.8° | 0.0° |
| O29 | C17 | C06 | H10 | 179.5° | 142.3° |
| O29 | C17 | N18 | H40 | 179.2° | 180.0° |
| C06 | N05 | C04 | H37 | 120.8° | 123.9° |
| N05 | C06 | C17 | H10 | 119.7° | 120.0° |
| N05 | C06 | C17 | N18 | 119.0° | 157.7° |
| C06 | N05 | C04 | H8 | 58.1° | 55.9° |
| C06 | N05 | C04 | H9 | 61.5° | 64.1° |
| N05 | C06 | C07 | H11 | 36.8° | 54.7° |
| N05 | C06 | C07 | H12 | 82.5° | 174.7° |
| C04 | N05 | C06 | C17 | 63.9° | 83.0° |
| N05 | C04 | C03 | H6 | 79.7° | 60.0° |
| N05 | C04 | C03 | H7 | 39.6° | 60.0° |
| N05 | C04 | H8 | H9 | 119.4° | 120.0° |
| C04 | N05 | C06 | H10 | 54.9° | 37.0° |
| C02 | C01 | H1 | H2 | 120.0° | 119.9° |
| C02 | C01 | H1 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 117.9° | 120.0° |
| C01 | C02 | C03 | H6 | 34.4° | 60.0° |
| C01 | C02 | C03 | H7 | 84.9° | 60.0° |
| C06 | C17 | N18 | C19 | 179.0° | 180.0° |
| C17 | C06 | C07 | H11 | 155.4° | 65.2° |
| C17 | C06 | C07 | H12 | 36.1° | 54.8° |
| C17 | C06 | N05 | H37 | 56.9° | 40.9° |
| C06 | C17 | N18 | H40 | 1.0° | 0.0° |
| C08 | C09 | N10 | H13 | 180.0° | 179.9° |
| C09 | C08 | C12 | C13 | 179.9° | 179.7° |
| C09 | C08 | C12 | C11 | 0.4° | 0.3° |
| C08 | C09 | N10 | C11 | 0.3° | 0.2° |
| C09 | C08 | C07 | H11 | 129.6° | 145.0° |
| C09 | C08 | C07 | H12 | 10.4° | 25.1° |
| C08 | C09 | N10 | H39 | 179.7° | 179.9° |
| C12 | C08 | C09 | N10 | 0.4° | 0.3° |
| C08 | C12 | C13 | C11 | 179.7° | 180.0° |
| C08 | C12 | C11 | N10 | 0.2° | 0.2° |
| C08 | C12 | C13 | C14 | 179.0° | 180.0° |
| C08 | C12 | C11 | C16 | 178.6° | 180.0° |
| C12 | C08 | C07 | H11 | 52.2° | 35.4° |
| C12 | C08 | C07 | H12 | 171.4° | 155.3° |
| C12 | C08 | C09 | H13 | 179.6° | 179.8° |
| C08 | C12 | C13 | H14 | 1.0° | 0.1° |
| C09 | N10 | C11 | C12 | 0.0° | 0.0° |
| C09 | N10 | C11 | H39 | 180.0° | 179.9° |
| C09 | N10 | C11 | C16 | 178.7° | 179.8° |
| C17 | N18 | C19 | H40 | 180.0° | 180.0° |
| C17 | N18 | C19 | C20 | 123.9° | 180.0° |
| N18 | C17 | C06 | H10 | 0.7° | 37.7° |
| C17 | N18 | C19 | H18 | 3.5° | 60.0° |
| C17 | N18 | C19 | H19 | 115.7° | 60.1° |
| C13 | C12 | C11 | N10 | 180.0° | 179.9° |
| C12 | C13 | C14 | H14 | 180.0° | 179.9° |
| C13 | C12 | C11 | C16 | 1.2° | 0.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C12 | C13 | C14 | H15 | 179.7° | 180.0° |
| C12 | C11 | N10 | C16 | 178.7° | 179.8° |
| C11 | C12 | C13 | C14 | 0.7° | 0.0° |
| C12 | C11 | C16 | C15 | 0.7° | 0.0° |
| C11 | C12 | C13 | H14 | 179.3° | 179.9° |
| C12 | C11 | C16 | H17 | 179.3° | 180.0° |
| C12 | C11 | N10 | H39 | 180.0° | 179.9° |
| N10 | C11 | C16 | C15 | 179.3° | 179.8° |
| C11 | N10 | C09 | H13 | 179.7° | 179.9° |
| N10 | C11 | C16 | H17 | 0.7° | 0.2° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.8° | 0.0° |
| C13 | C14 | C15 | H16 | 179.2° | 180.0° |
| N18 | C19 | C20 | H18 | 120.4° | 120.0° |
| N18 | C19 | C20 | H19 | 120.4° | 120.0° |
| N18 | C19 | C20 | C21 | 73.1° | 180.0° |
| N18 | C19 | H18 | H19 | 118.8° | 120.0° |
| N18 | C19 | C20 | H20 | 166.7° | 60.0° |
| N18 | C19 | C20 | H21 | 47.1° | 60.0° |
| C11 | C16 | C15 | C14 | 0.3° | 0.0° |
| C11 | C16 | C15 | H17 | 180.0° | 180.0° |
| C11 | C16 | C15 | H16 | 179.7° | 180.0° |
| C16 | C11 | N10 | H39 | 1.3° | 0.1° |
| C19 | C20 | C21 | C22 | 176.4° | 180.0° |
| C19 | C20 | C21 | H20 | 120.2° | 120.0° |
| C19 | C20 | C21 | H21 | 120.2° | 120.0° |
| C20 | C19 | H18 | H19 | 118.8° | 120.0° |
| C19 | C20 | H20 | H21 | 119.4° | 120.0° |
| C19 | C20 | C21 | H22 | 63.0° | 60.0° |
| C19 | C20 | C21 | H23 | 55.9° | 60.0° |
| C20 | C19 | N18 | H40 | 56.1° | 0.0° |
| C22 | C21 | C20 | H22 | 120.6° | 120.0° |
| C22 | C21 | C20 | H23 | 120.5° | 120.0° |
| C21 | C22 | C28 | C23 | 131.2° | 119.7° |
| C21 | C22 | C28 | H24 | 115.2° | 120.5° |
| C21 | C22 | C28 | C27 | 169.5° | 146.1° |
| C21 | C22 | C23 | C24 | 114.4° | 160.3° |
| C21 | C22 | C23 | H24 | 114.5° | 120.4° |
| C22 | C21 | C20 | H20 | 63.4° | 60.0° |
| C22 | C21 | C20 | H21 | 56.3° | 60.0° |
| C22 | C21 | H22 | H23 | 118.3° | 120.0° |
| C21 | C22 | C23 | H25 | 124.2° | 78.9° |
| C21 | C22 | C23 | H26 | 7.0° | 39.7° |
| C21 | C22 | C28 | H35 | 48.5° | 25.4° |
| C21 | C22 | C28 | H36 | 69.6° | 93.1° |
| C20 | C21 | C22 | C28 | 156.6° | 66.0° |
| C20 | C21 | C22 | C23 | 72.7° | 175.0° |
| C21 | C20 | C19 | H18 | 47.3° | 60.0° |
| C21 | C20 | C19 | H19 | 166.4° | 60.0° |
| C21 | C20 | H20 | H21 | 119.4° | 120.0° |
| C20 | C21 | H22 | H23 | 118.3° | 119.9° |
| C20 | C21 | C22 | H24 | 41.5° | 54.6° |
| C22 | C28 | C27 | H35 | 121.0° | 120.7° |
| C22 | C28 | C27 | H36 | 121.0° | 120.8° |
| C28 | C22 | C23 | C24 | 17.1° | 80.1° |
| C28 | C22 | C23 | H24 | 113.9° | 120.0° |
| C22 | C28 | C27 | C26 | 35.9° | 41.7° |
| C28 | C22 | C21 | H22 | 82.8° | 54.0° |
| C28 | C22 | C21 | H23 | 36.1° | 174.0° |
| C28 | C22 | C23 | H25 | 104.3° | 40.7° |
| C28 | C22 | C23 | H26 | 138.5° | 159.3° |
| C22 | C28 | C27 | H33 | 85.0° | 162.6° |
| C22 | C28 | C27 | H34 | 156.8° | 79.1° |
| C22 | C28 | H35 | H36 | 116.9° | 118.6° |
| C27 | C28 | C22 | C23 | 59.4° | 94.2° |
| C28 | C27 | C26 | H33 | 120.9° | 120.8° |
| C28 | C27 | C26 | H34 | 120.9° | 120.8° |
| C28 | C27 | C26 | C25 | 57.5° | 41.7° |
| C27 | C28 | C22 | H24 | 54.3° | 25.6° |
| C28 | C27 | C26 | H31 | 63.1° | 162.5° |
| C28 | C27 | C26 | H32 | 178.2° | 79.0° |
| C28 | C27 | H33 | H34 | 117.1° | 118.3° |
| C27 | C28 | H35 | H36 | 116.9° | 118.5° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C15 | C14 | C13 | H14 | 179.8° | 179.9° |
| C14 | C15 | C16 | H17 | 179.7° | 180.0° |
| C16 | C15 | C14 | H15 | 179.2° | 180.0° |
| C23 | C24 | C25 | H27 | 120.7° | 120.7° |
| C23 | C24 | C25 | H28 | 120.7° | 120.8° |
| C24 | C23 | C22 | H25 | 121.4° | 120.8° |
| C24 | C23 | C22 | H26 | 121.4° | 120.6° |
| C23 | C24 | C25 | C26 | 16.4° | 80.0° |
| C24 | C23 | C22 | H24 | 131.0° | 39.9° |
| C24 | C23 | H25 | H26 | 115.4° | 118.4° |
| C23 | C24 | H27 | H28 | 117.7° | 118.6° |
| C23 | C24 | C25 | H29 | 136.8° | 39.7° |
| C23 | C24 | C25 | H30 | 104.1° | 160.3° |
| C25 | C24 | C23 | C22 | 74.2° | 62.0° |
| C24 | C25 | C26 | C27 | 69.1° | 94.1° |
| C24 | C25 | C26 | H29 | 120.4° | 119.7° |
| C24 | C25 | C26 | H30 | 120.4° | 119.7° |
| C25 | C24 | C23 | H25 | 47.2° | 58.9° |
| C25 | C24 | C23 | H26 | 164.4° | 177.3° |
| C25 | C24 | H27 | H28 | 117.7° | 118.5° |
| C24 | C25 | H29 | H30 | 118.7° | 120.5° |
| C24 | C25 | C26 | H31 | 51.5° | 145.1° |
| C24 | C25 | C26 | H32 | 170.3° | 26.6° |
| C23 | C22 | C21 | H22 | 47.8° | 65.0° |
| C23 | C22 | C21 | H23 | 166.7° | 55.0° |
| C22 | C23 | H25 | H26 | 115.4° | 118.7° |
| C22 | C23 | C24 | H27 | 46.6° | 177.3° |
| C22 | C23 | C24 | H28 | 165.1° | 58.8° |
| C23 | C22 | C28 | H35 | 179.6° | 145.1° |
| C23 | C22 | C28 | H36 | 61.6° | 26.6° |
| C27 | C26 | C25 | H31 | 120.6° | 120.8° |
| C27 | C26 | C25 | H32 | 120.6° | 120.7° |
| C27 | C26 | C25 | H29 | 51.3° | 25.6° |
| C27 | C26 | C25 | H30 | 170.4° | 146.1° |
| C27 | C26 | H31 | H32 | 118.0° | 118.5° |
| C26 | C27 | H33 | H34 | 117.1° | 118.4° |
| C26 | C27 | C28 | H35 | 156.9° | 162.5° |
| C26 | C27 | C28 | H36 | 85.1° | 79.0° |
| C26 | C25 | C24 | H27 | 104.4° | 159.3° |
| C26 | C25 | C24 | H28 | 137.1° | 40.8° |
| C26 | C25 | H29 | H30 | 118.7° | 120.5° |
| C25 | C26 | H31 | H32 | 118.0° | 118.5° |
| C25 | C26 | C27 | H33 | 178.4° | 79.2° |
| C25 | C26 | C27 | H34 | 63.4° | 162.5° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.3° | 60.0° |
| H1 | C01 | C02 | H5 | 59.3° | 179.9° |
| H2 | C01 | C02 | H4 | 179.4° | 179.9° |
| H2 | C01 | C02 | H5 | 60.7° | 60.0° |
| H3 | C01 | C02 | H4 | 60.7° | 60.1° |
| H3 | C01 | C02 | H5 | 179.4° | 60.0° |
| H4 | C02 | C03 | H6 | 86.3° | 180.0° |
| H4 | C02 | C03 | H7 | 154.5° | 60.0° |
| H5 | C02 | C03 | H6 | 155.0° | 60.0° |
| H5 | C02 | C03 | H7 | 35.8° | 180.0° |
| H6 | C03 | C04 | H8 | 160.1° | NaN° |
| H6 | C03 | C04 | H9 | 40.5° | 60.0° |
| H7 | C03 | C04 | H8 | 80.6° | 60.0° |
| H7 | C03 | C04 | H9 | 159.8° | 180.0° |
| H8 | C04 | N05 | H37 | 62.7° | 68.0° |
| H9 | C04 | N05 | H37 | 177.7° | 172.0° |
| H10 | C06 | C07 | H11 | 86.3° | 174.7° |
| H10 | C06 | C07 | H12 | 154.4° | 65.3° |
| H10 | C06 | N05 | H37 | 175.7° | 160.9° |
| H13 | C09 | N10 | H39 | 0.2° | 0.0° |
| H14 | C13 | C14 | H15 | 0.2° | 0.1° |
| H15 | C14 | C15 | H16 | 0.8° | 0.0° |
| H16 | C15 | C16 | H17 | 0.3° | 0.1° |
| H18 | C19 | C20 | H20 | 72.9° | 60.0° |
| H18 | C19 | C20 | H21 | 167.5° | 180.0° |
| H18 | C19 | N18 | H40 | 176.5° | 120.0° |
| H19 | C19 | C20 | H20 | 46.3° | 180.0° |
| H19 | C19 | C20 | H21 | 73.4° | 60.0° |
| H19 | C19 | N18 | H40 | 64.3° | 120.0° |
| H20 | C20 | C21 | H22 | 57.2° | 180.0° |
| H20 | C20 | C21 | H23 | 176.1° | 60.1° |
| H21 | C20 | C21 | H22 | 176.8° | 60.0° |
| H21 | C20 | C21 | H23 | 64.3° | 180.0° |
| H22 | C21 | C22 | H24 | 162.0° | 174.6° |
| H23 | C21 | C22 | H24 | 79.1° | 65.4° |
| H24 | C22 | C23 | H25 | 9.6° | 160.7° |
| H24 | C22 | C23 | H26 | 107.6° | 80.7° |
| H24 | C22 | C28 | H35 | 66.7° | 95.1° |
| H24 | C22 | C28 | H36 | 175.2° | 146.4° |
| H25 | C23 | C24 | H27 | 168.0° | 61.9° |
| H25 | C23 | C24 | H28 | 73.5° | 179.6° |
| H26 | C23 | C24 | H27 | 74.9° | 56.6° |
| H26 | C23 | C24 | H28 | 43.7° | 61.9° |
| H27 | C24 | C25 | H29 | 16.1° | 81.0° |
| H27 | C24 | C25 | H30 | 135.2° | 39.6° |
| H28 | C24 | C25 | H29 | 102.4° | 160.5° |
| H28 | C24 | C25 | H30 | 16.7° | 78.9° |
| H29 | C25 | C26 | H31 | 172.0° | 95.3° |
| H29 | C25 | C26 | H32 | 69.3° | 146.3° |
| H30 | C25 | C26 | H31 | 68.9° | 25.3° |
| H30 | C25 | C26 | H32 | 49.8° | 93.2° |
| H31 | C26 | C27 | H33 | 57.8° | 41.6° |
| H31 | C26 | C27 | H34 | 176.0° | 76.8° |
| H32 | C26 | C27 | H33 | 60.9° | 160.1° |
| H32 | C26 | C27 | H34 | 57.3° | 41.8° |
| H33 | C27 | C28 | H35 | 36.0° | 76.6° |
| H33 | C27 | C28 | H36 | 154.0° | 41.8° |
| H34 | C27 | C28 | H35 | 82.2° | 41.7° |
| H34 | C27 | C28 | H36 | 35.8° | 160.1° |
