UM4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O43 | C40 | doub | 1.21Å | 1.22Å | |
| C41 | C40 | sing | 1.51Å | 1.50Å | |
| C41 | C42 | sing | 1.56Å | 1.53Å | |
| C40 | N15 | sing | 1.34Å | 1.35Å | |
| C02 | C03 | doub | 1.35Å | 1.38Å | Aromatic |
| C02 | N01 | sing | 1.34Å | 1.35Å | Aromatic |
| C42 | C14 | sing | 1.54Å | 1.54Å | |
| C03 | N06 | sing | 1.38Å | 1.37Å | Aromatic |
| N15 | C16 | sing | 1.47Å | 1.47Å | |
| N15 | C14 | sing | 1.48Å | 1.48Å | |
| N01 | C04 | doub | 1.32Å | 1.33Å | Aromatic |
| C16 | C10 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C10 | C07 | sing | 1.51Å | 1.49Å | |
| C10 | C12 | sing | 1.52Å | 1.53Å | |
| N06 | C07 | sing | 1.35Å | 1.39Å | Aromatic |
| N06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C04 | C05 | sing | 1.41Å | 1.44Å | Aromatic |
| C04 | N11 | sing | 1.38Å | 1.34Å | |
| C07 | N08 | doub | 1.31Å | 1.33Å | Aromatic |
| C05 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| N08 | C09 | sing | 1.34Å | 1.39Å | Aromatic |
| C09 | C17 | sing | 1.48Å | 1.47Å | |
| C26 | C25 | sing | 1.53Å | 1.50Å | |
| C26 | C24 | sing | 1.53Å | 1.49Å | |
| C17 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| O23 | C22 | sing | 1.36Å | 1.37Å | |
| O23 | C24 | sing | 1.43Å | 1.48Å | |
| C25 | C24 | sing | 1.53Å | 1.49Å | |
| C18 | C19 | sing | 1.37Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C27 | sing | 1.48Å | 1.49Å | |
| C27 | N29 | sing | 1.35Å | 1.35Å | |
| C27 | O28 | doub | 1.22Å | 1.23Å | |
| N29 | C30 | sing | 1.39Å | 1.40Å | |
| C30 | N31 | doub | 1.32Å | 1.34Å | Aromatic |
| C30 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
| N31 | C32 | sing | 1.32Å | 1.34Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.37Å | Aromatic |
| C34 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C34 | C36 | sing | 1.51Å | 1.48Å | |
| F38 | C36 | sing | 1.40Å | 1.32Å | |
| C36 | F37 | sing | 1.40Å | 1.33Å | |
| C36 | F39 | sing | 1.40Å | 1.31Å | |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| N11 | H4 | sing | 0.97Å | 1.00Å | |
| N11 | H5 | sing | 0.97Å | 1.00Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| N29 | H21 | sing | 0.97Å | 1.00Å | |
| C32 | H22 | sing | 1.08Å | 1.08Å | |
| C33 | H23 | sing | 1.08Å | 1.08Å | |
| C35 | H24 | sing | 1.08Å | 1.08Å | |
| C41 | H25 | sing | 1.09Å | 1.10Å | |
| C41 | H26 | sing | 1.09Å | 1.10Å | |
| C42 | H27 | sing | 1.09Å | 1.10Å | |
| C42 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O43 | C40 | C41 | 126.7° | 124.9° |
| O43 | C40 | N15 | 124.6° | 124.9° |
| C40 | C41 | C42 | 105.7° | 104.5° |
| C41 | C40 | N15 | 108.6° | 110.1° |
| C40 | C41 | H25 | 110.4° | 110.5° |
| C40 | C41 | H26 | 110.4° | 110.4° |
| C41 | C42 | C14 | 106.1° | 100.9° |
| C42 | C41 | H25 | 110.4° | 110.8° |
| C42 | C41 | H26 | 110.4° | 109.9° |
| C41 | C42 | H27 | 110.3° | 111.0° |
| C41 | C42 | H28 | 110.3° | 111.0° |
| C40 | N15 | C16 | 125.7° | 127.9° |
| C40 | N15 | C14 | 114.9° | 110.9° |
| C03 | C02 | N01 | 123.4° | 121.6° |
| C02 | C03 | N06 | 117.4° | 119.8° |
| C03 | C02 | H1 | 118.3° | 119.2° |
| C02 | C03 | H2 | 121.3° | 120.1° |
| C02 | N01 | C04 | 120.0° | 121.3° |
| N01 | C02 | H1 | 118.3° | 119.2° |
| C42 | C14 | N15 | 103.3° | 105.5° |
| C42 | C14 | C13 | 115.5° | 111.0° |
| C42 | C14 | H10 | 109.0° | 111.1° |
| C14 | C42 | H27 | 110.3° | 112.0° |
| C14 | C42 | H28 | 110.3° | 110.6° |
| C03 | N06 | C07 | 131.6° | 134.1° |
| C03 | N06 | C05 | 121.0° | 118.7° |
| N06 | C03 | H2 | 121.3° | 120.1° |
| C16 | N15 | C14 | 119.4° | 121.1° |
| N15 | C16 | C10 | 109.9° | 107.3° |
| N15 | C16 | H11 | 109.3° | 109.9° |
| N15 | C16 | H12 | 109.3° | 109.9° |
| N15 | C14 | C13 | 109.9° | 106.8° |
| N15 | C14 | H10 | 109.8° | 111.2° |
| N01 | C04 | C05 | 119.9° | 119.4° |
| N01 | C04 | N11 | 118.4° | 120.3° |
| C16 | C10 | C07 | 108.4° | 109.2° |
| C16 | C10 | C12 | 109.9° | 111.0° |
| C16 | C10 | H3 | 108.6° | 109.1° |
| C10 | C16 | H11 | 109.4° | 109.9° |
| C10 | C16 | H12 | 109.4° | 109.9° |
| C14 | C13 | C12 | 111.9° | 109.6° |
| C14 | C13 | H8 | 108.9° | 109.4° |
| C14 | C13 | H9 | 108.9° | 109.4° |
| C13 | C14 | H10 | 109.2° | 111.1° |
| C07 | C10 | C12 | 112.3° | 109.2° |
| C10 | C07 | N06 | 122.7° | 125.1° |
| C10 | C07 | N08 | 126.1° | 125.1° |
| C07 | C10 | H3 | 109.0° | 109.2° |
| C10 | C12 | C13 | 112.0° | 112.4° |
| C12 | C10 | H3 | 108.6° | 109.1° |
| C10 | C12 | H6 | 108.8° | 108.9° |
| C10 | C12 | H7 | 108.8° | 108.9° |
| C07 | N06 | C05 | 107.4° | 107.2° |
| N06 | C07 | N08 | 111.1° | 109.8° |
| N06 | C05 | C04 | 118.1° | 119.2° |
| N06 | C05 | C09 | 105.3° | 106.2° |
| C13 | C12 | H6 | 108.8° | 108.9° |
| C13 | C12 | H7 | 108.8° | 108.9° |
| C12 | C13 | H8 | 108.8° | 109.5° |
| C12 | C13 | H9 | 108.8° | 109.5° |
| C05 | C04 | N11 | 121.5° | 120.3° |
| C04 | C05 | C09 | 136.4° | 134.6° |
| C04 | N11 | H4 | 109.5° | 120.0° |
| C04 | N11 | H5 | 109.5° | 120.0° |
| C07 | N08 | C09 | 105.9° | 109.8° |
| C05 | C09 | N08 | 110.2° | 107.0° |
| C05 | C09 | C17 | 131.5° | 126.5° |
| N08 | C09 | C17 | 117.9° | 126.5° |
| C09 | C17 | C18 | 118.9° | 120.0° |
| C09 | C17 | C22 | 121.9° | 120.0° |
| C25 | C26 | C24 | 59.9° | 60.0° |
| C26 | C25 | C24 | 59.6° | 60.0° |
| C26 | C25 | H17 | 120.1° | 117.5° |
| C26 | C25 | H18 | 120.0° | 117.5° |
| C25 | C26 | H19 | 120.0° | 117.5° |
| C25 | C26 | H20 | 120.0° | 117.5° |
| C26 | C24 | O23 | 113.0° | 117.5° |
| C26 | C24 | C25 | 60.5° | 60.0° |
| C26 | C24 | H16 | 118.6° | 117.4° |
| C24 | C26 | H19 | 120.0° | 117.6° |
| C24 | C26 | H20 | 120.0° | 117.5° |
| C18 | C17 | C22 | 118.9° | 120.0° |
| C17 | C18 | C19 | 120.4° | 120.1° |
| C17 | C18 | H13 | 119.8° | 119.9° |
| C17 | C22 | O23 | 114.5° | 120.1° |
| C17 | C22 | C21 | 121.1° | 119.9° |
| C22 | O23 | C24 | 120.7° | 117.0° |
| O23 | C22 | C21 | 123.8° | 120.0° |
| O23 | C24 | C25 | 114.1° | 117.5° |
| O23 | C24 | H16 | 118.8° | 115.6° |
| C25 | C24 | H16 | 118.6° | 117.5° |
| C24 | C25 | H17 | 120.1° | 117.5° |
| C24 | C25 | H18 | 120.1° | 117.5° |
| C18 | C19 | C20 | 120.1° | 120.1° |
| C19 | C18 | H13 | 119.8° | 120.0° |
| C18 | C19 | H14 | 120.0° | 120.0° |
| C22 | C21 | C20 | 119.3° | 119.9° |
| C22 | C21 | H15 | 120.4° | 120.1° |
| C19 | C20 | C21 | 120.0° | 120.0° |
| C19 | C20 | C27 | 117.4° | 120.0° |
| C20 | C19 | H14 | 119.9° | 119.9° |
| C21 | C20 | C27 | 122.4° | 120.0° |
| C20 | C21 | H15 | 120.3° | 120.0° |
| C20 | C27 | N29 | 114.7° | 120.0° |
| C20 | C27 | O28 | 120.6° | 119.9° |
| N29 | C27 | O28 | 124.5° | 120.1° |
| C27 | N29 | C30 | 128.0° | 120.0° |
| C27 | N29 | H21 | 116.0° | 120.1° |
| N29 | C30 | N31 | 113.6° | 119.7° |
| N29 | C30 | C35 | 123.1° | 119.8° |
| C30 | N29 | H21 | 116.0° | 119.9° |
| N31 | C30 | C35 | 123.0° | 120.6° |
| C30 | N31 | C32 | 117.6° | 121.6° |
| C30 | C35 | C34 | 118.1° | 119.1° |
| C30 | C35 | H24 | 121.0° | 120.4° |
| N31 | C32 | C33 | 123.2° | 120.9° |
| N31 | C32 | H22 | 118.4° | 119.6° |
| C35 | C34 | C33 | 118.7° | 118.5° |
| C35 | C34 | C36 | 120.0° | 120.7° |
| C34 | C35 | H24 | 121.0° | 120.4° |
| C32 | C33 | C34 | 119.2° | 119.3° |
| C33 | C32 | H22 | 118.4° | 119.6° |
| C32 | C33 | H23 | 120.4° | 120.3° |
| C33 | C34 | C36 | 121.2° | 120.7° |
| C34 | C33 | H23 | 120.4° | 120.4° |
| C34 | C36 | F38 | 111.4° | 109.5° |
| C34 | C36 | F37 | 112.2° | 109.4° |
| C34 | C36 | F39 | 112.8° | 109.5° |
| F38 | C36 | F37 | 105.1° | 109.4° |
| F38 | C36 | F39 | 108.3° | 109.5° |
| F37 | C36 | F39 | 106.7° | 109.5° |
| H4 | N11 | H5 | 109.5° | 120.0° |
| H6 | C12 | H7 | 109.5° | 108.9° |
| H8 | C13 | H9 | 109.5° | 109.4° |
| H11 | C16 | H12 | 109.5° | 110.0° |
| H17 | C25 | H18 | 109.5° | 115.6° |
| H19 | C26 | H20 | 109.5° | 115.6° |
| H25 | C41 | H26 | 109.5° | 110.6° |
| H27 | C42 | H28 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O43 | C40 | C41 | N15 | 177.7° | 179.9° |
| O43 | C40 | C41 | C42 | 170.5° | 166.6° |
| O43 | C40 | N15 | C16 | 4.0° | 7.1° |
| O43 | C40 | N15 | C14 | 178.2° | 175.2° |
| O43 | C40 | C41 | H25 | 51.1° | 47.4° |
| O43 | C40 | C41 | H26 | 70.1° | 75.2° |
| C40 | C41 | C42 | H25 | 119.4° | 119.0° |
| C40 | C41 | C42 | H26 | 119.4° | 118.5° |
| C40 | C41 | C42 | C14 | 11.6° | 24.5° |
| C41 | C40 | N15 | C16 | 178.2° | 172.8° |
| C41 | C40 | N15 | C14 | 0.5° | 5.0° |
| C40 | C41 | H25 | H26 | 121.8° | 122.6° |
| C40 | C41 | C42 | H27 | 107.8° | 143.4° |
| C40 | C41 | C42 | H28 | 131.1° | 92.7° |
| C42 | C41 | C40 | N15 | 7.1° | 13.3° |
| C41 | C42 | C14 | H27 | 119.4° | 118.2° |
| C41 | C42 | C14 | H28 | 119.5° | 117.5° |
| C41 | C42 | C14 | N15 | 11.6° | 27.5° |
| C41 | C42 | C14 | C13 | 131.6° | 142.8° |
| C41 | C42 | C14 | H10 | 105.1° | 93.1° |
| C42 | C41 | H25 | H26 | 121.7° | 122.1° |
| C41 | C42 | H27 | H28 | 121.6° | 123.9° |
| C40 | N15 | C14 | C42 | 7.8° | 21.5° |
| C40 | N15 | C16 | C14 | 177.6° | 177.5° |
| C40 | N15 | C16 | C10 | 129.3° | 114.0° |
| C40 | N15 | C14 | C13 | 131.6° | 139.6° |
| C40 | N15 | C14 | H10 | 108.3° | 99.0° |
| C40 | N15 | C16 | H11 | 110.6° | 5.4° |
| C40 | N15 | C16 | H12 | 9.2° | 126.5° |
| N15 | C40 | C41 | H25 | 126.5° | 132.4° |
| N15 | C40 | C41 | H26 | 112.3° | 104.9° |
| C03 | C02 | N01 | H1 | 180.0° | 180.0° |
| C02 | C03 | N06 | H2 | 180.0° | 180.0° |
| C03 | C02 | N01 | C04 | 4.6° | 0.0° |
| C02 | C03 | N06 | C07 | 177.8° | 180.0° |
| C02 | C03 | N06 | C05 | 1.2° | 0.1° |
| N01 | C02 | C03 | N06 | 4.7° | 0.0° |
| C02 | N01 | C04 | C05 | 1.0° | 0.0° |
| C02 | N01 | C04 | N11 | 176.9° | 180.0° |
| N01 | C02 | C03 | H2 | 175.3° | 180.0° |
| C42 | C14 | N15 | C16 | 174.3° | 156.4° |
| C42 | C14 | N15 | C13 | 123.8° | 118.1° |
| C42 | C14 | N15 | H10 | 116.1° | 120.6° |
| C42 | C14 | C13 | H10 | 123.3° | 124.1° |
| C42 | C14 | C13 | C12 | 164.9° | 88.2° |
| C42 | C14 | C13 | H8 | 44.6° | 151.7° |
| C42 | C14 | C13 | H9 | 74.7° | 31.8° |
| C14 | C42 | C41 | H25 | 131.0° | 143.5° |
| C14 | C42 | C41 | H26 | 107.8° | 94.0° |
| C14 | C42 | H27 | H28 | 121.6° | 124.1° |
| C03 | N06 | C07 | C10 | 3.4° | 0.1° |
| C03 | N06 | C07 | C05 | 179.1° | 180.0° |
| C03 | N06 | C05 | C04 | 2.1° | 0.1° |
| C03 | N06 | C07 | N08 | 179.4° | 180.0° |
| C03 | N06 | C05 | C09 | 177.9° | 180.0° |
| N06 | C03 | C02 | H1 | 175.3° | 180.0° |
| N15 | C16 | C10 | H11 | 120.1° | 119.4° |
| N15 | C16 | C10 | H12 | 120.1° | 119.4° |
| C16 | N15 | C14 | C13 | 50.5° | 38.3° |
| N15 | C16 | C10 | C07 | 175.9° | 138.3° |
| N15 | C16 | C10 | C12 | 52.8° | 17.9° |
| N15 | C16 | C10 | H3 | 65.8° | 102.4° |
| C16 | N15 | C14 | H10 | 69.6° | 83.0° |
| N15 | C16 | H11 | H12 | 119.8° | 121.1° |
| C14 | N15 | C16 | C10 | 53.1° | 63.5° |
| N15 | C14 | C13 | H10 | 120.4° | 121.4° |
| N15 | C14 | C13 | C12 | 48.6° | 26.3° |
| N15 | C14 | C13 | H8 | 71.8° | 93.8° |
| N15 | C14 | C13 | H9 | 168.9° | 146.3° |
| C14 | N15 | C16 | H11 | 67.0° | 177.1° |
| C14 | N15 | C16 | H12 | 173.2° | 55.9° |
| N15 | C14 | C42 | H27 | 107.9° | 145.7° |
| N15 | C14 | C42 | H28 | 131.0° | 90.0° |
| N01 | C04 | C05 | N06 | 2.2° | 0.0° |
| N01 | C04 | C05 | N11 | 175.7° | 180.0° |
| N01 | C04 | C05 | C09 | 176.4° | 180.0° |
| C04 | N01 | C02 | H1 | 175.4° | 179.9° |
| N01 | C04 | N11 | H4 | 0.0° | 2.5° |
| N01 | C04 | N11 | H5 | 120.0° | 177.4° |
| C16 | C10 | C07 | C12 | 121.6° | 121.5° |
| C16 | C10 | C07 | H3 | 118.0° | 119.3° |
| C16 | C10 | C12 | H3 | 118.7° | 120.3° |
| C16 | C10 | C07 | N06 | 96.8° | 118.5° |
| C16 | C10 | C12 | C13 | 56.1° | 40.9° |
| C16 | C10 | C07 | N08 | 87.7° | 61.5° |
| C16 | C10 | C12 | H6 | 64.3° | 161.6° |
| C16 | C10 | C12 | H7 | 176.4° | 79.8° |
| C10 | C16 | H11 | H12 | 119.8° | 121.1° |
| C14 | C13 | C12 | C10 | 54.5° | 66.9° |
| C14 | C13 | C12 | H8 | 120.4° | 120.0° |
| C14 | C13 | C12 | H9 | 120.4° | 120.0° |
| C14 | C13 | C12 | H6 | 65.8° | 172.4° |
| C14 | C13 | C12 | H7 | 174.9° | 53.8° |
| C14 | C13 | H8 | H9 | 118.9° | 119.9° |
| C13 | C14 | C42 | H27 | 12.1° | 99.0° |
| C13 | C14 | C42 | H28 | 109.0° | 25.3° |
| C07 | C10 | C12 | H3 | 120.6° | 119.3° |
| C10 | C07 | N06 | N08 | 176.1° | 179.9° |
| C10 | C07 | N06 | C05 | 175.7° | 180.0° |
| C07 | C10 | C12 | C13 | 176.8° | 79.5° |
| C10 | C07 | N08 | C09 | 178.2° | 180.0° |
| C07 | C10 | C12 | H6 | 56.4° | 41.2° |
| C07 | C10 | C12 | H7 | 62.9° | 159.8° |
| C07 | C10 | C16 | H11 | 55.8° | 102.3° |
| C07 | C10 | C16 | H12 | 64.0° | 18.8° |
| C12 | C10 | C07 | N06 | 141.6° | 120.0° |
| C10 | C12 | C13 | H6 | 120.4° | 120.7° |
| C10 | C12 | C13 | H7 | 120.4° | 120.8° |
| C12 | C10 | C07 | N08 | 33.9° | 60.0° |
| C10 | C12 | H6 | H7 | 118.8° | 118.6° |
| C10 | C12 | C13 | H8 | 65.8° | 53.1° |
| C10 | C12 | C13 | H9 | 174.9° | 173.1° |
| C12 | C10 | C16 | H11 | 67.2° | 137.3° |
| C12 | C10 | C16 | H12 | 172.9° | 101.6° |
| C07 | N06 | C05 | C04 | 178.8° | 180.0° |
| C07 | N06 | C05 | C09 | 2.9° | 0.0° |
| N06 | C07 | N08 | C09 | 2.4° | 0.1° |
| C07 | N06 | C03 | H2 | 2.2° | 0.0° |
| N06 | C07 | C10 | H3 | 21.2° | 0.7° |
| N06 | C05 | C04 | C09 | 174.2° | 180.0° |
| N06 | C05 | C04 | N11 | 173.5° | 180.0° |
| C05 | N06 | C07 | N08 | 0.4° | 0.1° |
| N06 | C05 | C09 | N08 | 4.4° | 0.0° |
| N06 | C05 | C09 | C17 | 176.7° | 180.0° |
| C05 | N06 | C03 | H2 | 178.8° | 180.0° |
| C13 | C12 | C10 | H3 | 62.6° | 161.2° |
| C13 | C12 | H6 | H7 | 118.9° | 118.6° |
| C12 | C13 | H8 | H9 | 118.9° | 120.0° |
| C12 | C13 | C14 | H10 | 71.8° | 147.7° |
| C04 | C05 | C09 | N08 | 179.1° | 179.9° |
| C04 | C05 | C09 | C17 | 8.6° | 0.0° |
| C05 | C04 | N11 | H4 | 175.8° | 177.5° |
| C05 | C04 | N11 | H5 | 64.2° | 2.6° |
| N11 | C04 | C05 | C09 | 0.7° | 0.0° |
| C04 | N11 | H4 | H5 | 120.0° | 179.9° |
| C07 | N08 | C09 | C05 | 4.2° | 0.1° |
| C07 | N08 | C09 | C17 | 177.7° | 180.0° |
| N08 | C07 | C10 | H3 | 154.2° | 179.2° |
| C05 | C09 | N08 | C17 | 173.5° | 179.9° |
| C05 | C09 | C17 | C18 | 50.2° | 58.3° |
| C05 | C09 | C17 | C22 | 124.0° | 122.1° |
| N08 | C09 | C17 | C18 | 121.6° | 121.7° |
| N08 | C09 | C17 | C22 | 64.2° | 58.0° |
| C09 | C17 | C18 | C22 | 174.4° | 179.6° |
| C09 | C17 | C22 | O23 | 10.2° | 0.0° |
| C09 | C17 | C18 | C19 | 178.2° | 180.0° |
| C09 | C17 | C22 | C21 | 177.8° | 179.7° |
| C09 | C17 | C18 | H13 | 1.9° | 0.1° |
| C25 | C26 | C24 | H19 | 109.5° | 107.5° |
| C25 | C26 | C24 | H20 | 109.5° | 107.5° |
| C26 | C25 | C24 | O23 | 103.7° | 107.5° |
| C26 | C25 | C24 | H17 | 109.4° | 107.5° |
| C26 | C25 | C24 | H18 | 109.3° | 107.5° |
| C25 | C26 | C24 | H16 | 108.5° | 107.5° |
| C26 | C25 | H17 | H18 | 144.9° | 145.7° |
| C25 | C26 | H19 | H20 | 144.8° | 145.6° |
| C26 | C24 | O23 | C22 | 162.8° | 135.0° |
| C26 | C24 | O23 | H16 | 145.8° | 145.6° |
| C24 | C26 | H19 | H20 | 144.8° | 145.7° |
| C18 | C17 | C22 | O23 | 175.6° | 179.6° |
| C17 | C18 | C19 | H13 | 180.0° | 179.9° |
| C18 | C17 | C22 | C21 | 3.5° | 0.6° |
| C17 | C18 | C19 | C20 | 3.6° | 0.1° |
| C17 | C18 | C19 | H14 | 176.4° | 179.9° |
| C17 | C22 | O23 | C21 | 171.8° | 179.8° |
| C17 | C22 | O23 | C24 | 168.0° | 174.8° |
| C22 | C17 | C18 | C19 | 3.8° | 0.4° |
| C17 | C22 | C21 | C20 | 3.1° | 0.6° |
| C22 | C17 | C18 | H13 | 176.3° | 179.7° |
| C17 | C22 | C21 | H15 | 177.0° | 179.7° |
| C22 | O23 | C24 | C25 | 96.2° | 156.3° |
| O23 | C22 | C21 | C20 | 174.3° | 179.7° |
| O23 | C22 | C21 | H15 | 5.7° | 0.1° |
| C22 | O23 | C24 | H16 | 51.4° | 10.6° |
| O23 | C24 | C25 | H16 | 147.7° | 145.1° |
| C24 | O23 | C22 | C21 | 3.8° | 5.4° |
| O23 | C24 | C25 | H17 | 146.9° | 0.0° |
| O23 | C24 | C25 | H18 | 5.6° | 145.0° |
| O23 | C24 | C26 | H19 | 3.8° | 145.0° |
| O23 | C24 | C26 | H20 | 144.9° | 0.1° |
| C24 | C25 | H17 | H18 | 144.9° | 145.7° |
| C18 | C19 | C20 | H14 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 3.0° | 0.0° |
| C18 | C19 | C20 | C27 | 178.1° | 179.9° |
| C22 | C21 | C20 | C19 | 2.8° | 0.3° |
| C22 | C21 | C20 | H15 | 180.0° | 179.8° |
| C22 | C21 | C20 | C27 | 177.5° | 179.8° |
| C19 | C20 | C21 | C27 | 174.8° | 179.9° |
| C19 | C20 | C27 | N29 | 145.7° | 0.0° |
| C19 | C20 | C27 | O28 | 28.7° | 180.0° |
| C20 | C19 | C18 | H13 | 176.5° | 180.0° |
| C19 | C20 | C21 | H15 | 177.3° | 180.0° |
| C21 | C20 | C27 | N29 | 39.4° | 180.0° |
| C21 | C20 | C27 | O28 | 146.2° | 0.1° |
| C21 | C20 | C19 | H14 | 177.0° | 180.0° |
| C20 | C27 | N29 | O28 | 174.1° | 179.9° |
| C20 | C27 | N29 | C30 | 174.7° | 175.0° |
| C27 | C20 | C19 | H14 | 1.9° | 0.0° |
| C27 | C20 | C21 | H15 | 2.5° | 0.1° |
| C20 | C27 | N29 | H21 | 5.2° | 5.0° |
| C27 | N29 | C30 | H21 | 180.0° | 180.0° |
| C27 | N29 | C30 | N31 | 175.1° | 5.8° |
| C27 | N29 | C30 | C35 | 0.5° | 174.5° |
| O28 | C27 | N29 | C30 | 0.7° | 5.1° |
| O28 | C27 | N29 | H21 | 179.3° | 174.9° |
| N29 | C30 | N31 | C35 | 174.5° | 179.7° |
| N29 | C30 | N31 | C32 | 179.4° | 179.9° |
| N29 | C30 | C35 | C34 | 179.9° | 179.8° |
| N29 | C30 | C35 | H24 | 0.1° | 0.0° |
| N31 | C30 | C35 | C34 | 5.8° | 0.5° |
| C30 | N31 | C32 | C33 | 3.4° | 0.1° |
| N31 | C30 | N29 | H21 | 4.9° | 174.2° |
| C30 | N31 | C32 | H22 | 176.6° | 180.0° |
| N31 | C30 | C35 | H24 | 174.2° | 179.7° |
| C35 | C30 | N31 | C32 | 4.9° | 0.2° |
| C30 | C35 | C34 | H24 | 180.0° | 179.8° |
| C30 | C35 | C34 | C33 | 5.0° | 0.5° |
| C30 | C35 | C34 | C36 | 178.4° | 179.7° |
| C35 | C30 | N29 | H21 | 179.4° | 5.5° |
| N31 | C32 | C33 | H22 | 180.0° | 179.9° |
| N31 | C32 | C33 | C34 | 2.9° | 0.1° |
| N31 | C32 | C33 | H23 | 177.2° | 180.0° |
| C35 | C34 | C33 | C32 | 3.7° | 0.2° |
| C35 | C34 | C33 | C36 | 176.5° | 179.8° |
| C35 | C34 | C36 | F38 | 72.0° | 59.8° |
| C35 | C34 | C36 | F37 | 45.5° | 179.7° |
| C35 | C34 | C36 | F39 | 166.0° | 60.3° |
| C35 | C34 | C33 | H23 | 176.4° | 179.7° |
| C32 | C33 | C34 | H23 | 180.0° | 179.9° |
| C32 | C33 | C34 | C36 | 179.8° | 180.0° |
| C33 | C34 | C36 | F38 | 104.5° | 120.0° |
| C33 | C34 | C36 | F37 | 138.1° | 0.0° |
| C33 | C34 | C36 | F39 | 17.5° | 120.0° |
| C34 | C33 | C32 | H22 | 177.1° | 180.0° |
| C33 | C34 | C35 | H24 | 175.0° | 179.7° |
| C34 | C36 | F38 | F37 | 121.7° | 120.0° |
| C34 | C36 | F38 | F39 | 124.6° | 120.0° |
| C34 | C36 | F37 | F39 | 124.0° | 120.0° |
| C36 | C34 | C33 | H23 | 0.1° | 0.0° |
| C36 | C34 | C35 | H24 | 1.6° | 0.1° |
| F38 | C36 | F37 | F39 | 114.8° | 120.0° |
| H1 | C02 | C03 | H2 | 4.7° | 0.1° |
| H3 | C10 | C12 | H6 | 177.0° | 78.1° |
| H3 | C10 | C12 | H7 | 57.8° | 40.5° |
| H3 | C10 | C16 | H11 | 174.1° | 17.0° |
| H3 | C10 | C16 | H12 | 54.3° | 138.1° |
| H6 | C12 | C13 | H8 | 173.8° | 67.6° |
| H6 | C12 | C13 | H9 | 54.5° | 52.4° |
| H7 | C12 | C13 | H8 | 54.5° | 173.8° |
| H7 | C12 | C13 | H9 | 64.7° | 66.2° |
| H8 | C13 | C14 | H10 | 167.8° | 27.6° |
| H9 | C13 | C14 | H10 | 48.5° | 92.3° |
| H10 | C14 | C42 | H27 | 135.5° | 25.1° |
| H10 | C14 | C42 | H28 | 14.4° | 149.4° |
| H13 | C18 | C19 | H14 | 3.5° | 0.0° |
| H16 | C24 | C25 | H17 | 0.8° | 145.1° |
| H16 | C24 | C25 | H18 | 142.1° | 0.1° |
| H16 | C24 | C26 | H19 | 142.1° | 0.0° |
| H16 | C24 | C26 | H20 | 1.0° | 145.0° |
| H17 | C25 | C26 | H19 | 141.2° | 145.0° |
| H17 | C25 | C26 | H20 | 0.1° | 0.0° |
| H18 | C25 | C26 | H19 | 0.0° | 0.1° |
| H18 | C25 | C26 | H20 | 141.2° | 145.1° |
| H22 | C32 | C33 | H23 | 2.8° | 0.1° |
| H25 | C41 | C42 | H27 | 11.6° | 97.6° |
| H25 | C41 | C42 | H28 | 109.5° | 26.3° |
| H26 | C41 | C42 | H27 | 132.7° | 24.9° |
| H26 | C41 | C42 | H28 | 11.7° | 148.8° |
