7XK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C27 | sing | 1.43Å | 1.44Å | |
| C23 | C35 | sing | 1.53Å | 1.52Å | |
| C27 | C17 | sing | 1.53Å | 1.53Å | |
| O38 | C15 | doub | 1.21Å | 1.22Å | |
| C34 | C35 | sing | 1.53Å | 1.55Å | |
| C34 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | N16 | sing | 1.35Å | 1.34Å | |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| C35 | C37 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C17 | N16 | sing | 1.47Å | 1.46Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| C14 | N13 | sing | 1.46Å | 1.45Å | |
| N13 | C12 | sing | 1.35Å | 1.34Å | |
| C8 | C18 | sing | 1.53Å | 1.53Å | |
| C8 | C30 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.55Å | 1.52Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C12 | O33 | doub | 1.21Å | 1.24Å | |
| C20 | C24 | sing | 1.51Å | 1.52Å | |
| C18 | C30 | sing | 1.53Å | 1.53Å | |
| C22 | N23 | sing | 1.47Å | 1.46Å | |
| C11 | C30 | sing | 1.53Å | 1.53Å | |
| C11 | N10 | sing | 1.46Å | 1.44Å | |
| O29 | C9 | doub | 1.21Å | 1.22Å | |
| C24 | N23 | sing | 1.34Å | 1.32Å | |
| C24 | O26 | doub | 1.21Å | 1.21Å | |
| N10 | C9 | sing | 1.35Å | 1.32Å | |
| C9 | O8 | sing | 1.35Å | 1.45Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| O8 | C7 | sing | 1.45Å | 1.43Å | |
| C7 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C5 | H30 | sing | 1.08Å | 1.08Å | |
| C6 | H31 | sing | 1.08Å | 1.08Å | |
| C7 | H32 | sing | 1.09Å | 1.10Å | |
| C7 | H33 | sing | 1.09Å | 1.10Å | |
| C8 | H34 | sing | 1.09Å | 1.10Å | |
| C8 | H35 | sing | 1.09Å | 1.10Å | |
| N10 | H36 | sing | 0.97Å | 1.00Å | |
| N13 | H37 | sing | 0.97Å | 1.00Å | |
| N16 | H38 | sing | 0.97Å | 1.00Å | |
| N23 | H39 | sing | 0.97Å | 1.00Å | |
| O28 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C27 | C17 | 111.0° | 109.5° |
| O28 | C27 | H18 | 109.1° | 109.5° |
| O28 | C27 | H19 | 109.1° | 109.5° |
| C27 | O28 | H40 | 109.5° | 113.9° |
| C23 | C35 | C34 | 110.3° | 109.5° |
| C23 | C35 | C37 | 106.3° | 109.4° |
| C23 | C35 | C36 | 106.5° | 109.5° |
| C35 | C23 | H15 | 109.5° | 109.5° |
| C35 | C23 | H16 | 109.5° | 109.5° |
| C35 | C23 | H17 | 109.5° | 109.4° |
| C27 | C17 | N16 | 110.5° | 109.5° |
| C27 | C17 | C19 | 110.0° | 109.5° |
| C27 | C17 | H4 | 107.7° | 109.5° |
| C17 | C27 | H18 | 109.1° | 109.5° |
| C17 | C27 | H19 | 109.1° | 109.5° |
| O38 | C15 | N16 | 120.8° | 120.0° |
| O38 | C15 | C14 | 120.1° | 120.0° |
| C35 | C34 | C14 | 115.2° | 109.4° |
| C34 | C35 | C37 | 113.5° | 109.5° |
| C34 | C35 | C36 | 111.1° | 109.5° |
| C35 | C34 | H22 | 108.0° | 109.5° |
| C35 | C34 | H23 | 108.0° | 109.5° |
| C34 | C14 | C15 | 112.9° | 109.5° |
| C34 | C14 | N13 | 111.4° | 109.5° |
| C34 | C14 | H3 | 107.3° | 109.4° |
| C14 | C34 | H22 | 108.1° | 109.5° |
| C14 | C34 | H23 | 108.0° | 109.4° |
| N16 | C15 | C14 | 119.1° | 120.0° |
| C15 | N16 | C17 | 121.6° | 120.0° |
| C15 | N16 | H38 | 119.2° | 120.0° |
| C15 | C14 | N13 | 109.0° | 109.5° |
| C15 | C14 | H3 | 107.6° | 109.4° |
| C37 | C35 | C36 | 108.7° | 109.4° |
| C35 | C37 | H27 | 109.5° | 109.5° |
| C35 | C37 | H28 | 109.5° | 109.5° |
| C35 | C37 | H29 | 109.5° | 109.5° |
| C35 | C36 | H24 | 109.5° | 109.5° |
| C35 | C36 | H25 | 109.5° | 109.4° |
| C35 | C36 | H26 | 109.5° | 109.4° |
| N16 | C17 | C19 | 112.2° | 109.5° |
| N16 | C17 | H4 | 108.7° | 109.5° |
| C17 | N16 | H38 | 119.2° | 120.0° |
| C17 | C19 | C20 | 113.0° | 109.5° |
| C19 | C17 | H4 | 107.6° | 109.4° |
| C17 | C19 | H7 | 108.6° | 109.5° |
| C17 | C19 | H8 | 108.6° | 109.5° |
| C14 | N13 | C12 | 120.0° | 120.0° |
| N13 | C14 | H3 | 108.4° | 109.5° |
| C14 | N13 | H37 | 120.0° | 120.0° |
| N13 | C12 | C11 | 114.9° | 120.0° |
| N13 | C12 | O33 | 122.8° | 119.9° |
| C12 | N13 | H37 | 120.0° | 120.0° |
| C18 | C8 | C30 | 60.0° | 60.0° |
| C8 | C18 | C30 | 59.8° | 60.0° |
| C8 | C18 | H5 | 120.0° | 117.5° |
| C8 | C18 | H6 | 120.0° | 117.5° |
| C18 | C8 | H34 | 120.0° | 117.5° |
| C18 | C8 | H35 | 120.0° | 117.5° |
| C8 | C30 | C18 | 60.2° | 60.0° |
| C8 | C30 | C11 | 110.2° | 117.5° |
| C8 | C30 | H21 | 119.2° | 117.5° |
| C30 | C8 | H34 | 120.0° | 117.5° |
| C30 | C8 | H35 | 120.0° | 117.5° |
| C19 | C20 | C21 | 109.3° | 110.5° |
| C19 | C20 | C24 | 113.4° | 110.5° |
| C20 | C19 | H7 | 108.6° | 109.5° |
| C20 | C19 | H8 | 108.6° | 109.5° |
| C19 | C20 | H10 | 110.3° | 110.5° |
| C20 | C21 | C22 | 104.9° | 101.8° |
| C21 | C20 | C24 | 103.1° | 104.2° |
| C21 | C20 | H10 | 110.3° | 110.6° |
| C20 | C21 | H11 | 110.6° | 111.0° |
| C20 | C21 | H12 | 110.6° | 111.0° |
| C21 | C22 | N23 | 105.6° | 105.5° |
| C22 | C21 | H11 | 110.6° | 111.0° |
| C22 | C21 | H12 | 110.6° | 111.0° |
| C21 | C22 | H13 | 110.4° | 110.2° |
| C21 | C22 | H14 | 110.4° | 110.3° |
| C11 | C12 | O33 | 122.3° | 120.0° |
| C12 | C11 | C30 | 114.9° | 109.5° |
| C12 | C11 | N10 | 110.1° | 109.5° |
| C12 | C11 | H2 | 108.6° | 109.5° |
| C20 | C24 | N23 | 111.5° | 110.1° |
| C20 | C24 | O26 | 124.3° | 125.0° |
| C24 | C20 | H10 | 110.3° | 110.5° |
| C18 | C30 | C11 | 115.1° | 117.5° |
| C30 | C18 | H5 | 120.0° | 117.6° |
| C30 | C18 | H6 | 120.1° | 117.5° |
| C18 | C30 | H21 | 119.2° | 117.5° |
| C22 | N23 | C24 | 111.5° | 111.3° |
| N23 | C22 | H13 | 110.4° | 110.2° |
| N23 | C22 | H14 | 110.4° | 110.2° |
| C22 | N23 | H39 | 124.3° | 124.4° |
| C30 | C11 | N10 | 105.4° | 109.5° |
| C30 | C11 | H2 | 108.3° | 109.5° |
| C11 | C30 | H21 | 119.1° | 115.5° |
| C11 | N10 | C9 | 121.9° | 120.0° |
| N10 | C11 | H2 | 109.5° | 109.4° |
| C11 | N10 | H36 | 119.1° | 120.0° |
| O29 | C9 | N10 | 123.3° | 120.0° |
| O29 | C9 | O8 | 119.6° | 120.0° |
| N23 | C24 | O26 | 124.2° | 124.9° |
| C24 | N23 | H39 | 124.3° | 124.4° |
| N10 | C9 | O8 | 117.1° | 120.0° |
| C9 | N10 | H36 | 119.0° | 120.0° |
| C9 | O8 | C7 | 119.7° | 117.0° |
| C2 | C3 | C4 | 120.1° | 120.0° |
| C3 | C2 | C1 | 120.2° | 120.0° |
| C3 | C2 | H9 | 119.9° | 120.0° |
| C2 | C3 | H20 | 119.9° | 120.0° |
| C3 | C4 | C7 | 119.7° | 120.0° |
| C3 | C4 | C5 | 119.8° | 120.0° |
| C4 | C3 | H20 | 120.0° | 120.0° |
| C2 | C1 | C6 | 119.9° | 120.0° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C1 | C2 | H9 | 119.9° | 120.0° |
| O8 | C7 | C4 | 111.9° | 109.5° |
| O8 | C7 | H32 | 108.9° | 109.5° |
| O8 | C7 | H33 | 108.9° | 109.4° |
| C7 | C4 | C5 | 120.6° | 120.0° |
| C4 | C7 | H32 | 108.9° | 109.5° |
| C4 | C7 | H33 | 108.8° | 109.5° |
| C4 | C5 | C6 | 120.0° | 120.0° |
| C4 | C5 | H30 | 120.0° | 120.0° |
| C1 | C6 | C5 | 120.1° | 120.0° |
| C6 | C1 | H1 | 120.0° | 120.0° |
| C1 | C6 | H31 | 119.9° | 120.0° |
| C6 | C5 | H30 | 120.0° | 120.0° |
| C5 | C6 | H31 | 120.0° | 120.0° |
| H5 | C18 | H6 | 109.5° | 115.5° |
| H7 | C19 | H8 | 109.5° | 109.4° |
| H11 | C21 | H12 | 109.5° | 110.9° |
| H13 | C22 | H14 | 109.5° | 110.3° |
| H15 | C23 | H16 | 109.4° | 109.5° |
| H15 | C23 | H17 | 109.5° | 109.4° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H18 | C27 | H19 | 109.5° | 109.5° |
| H22 | C34 | H23 | 109.5° | 109.5° |
| H24 | C36 | H25 | 109.5° | 109.5° |
| H24 | C36 | H26 | 109.5° | 109.5° |
| H25 | C36 | H26 | 109.5° | 109.5° |
| H27 | C37 | H28 | 109.5° | 109.5° |
| H27 | C37 | H29 | 109.5° | 109.4° |
| H28 | C37 | H29 | 109.5° | 109.4° |
| H32 | C7 | H33 | 109.4° | 109.5° |
| H34 | C8 | H35 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C27 | C17 | H18 | 120.2° | 120.0° |
| O28 | C27 | C17 | H19 | 120.3° | 120.0° |
| O28 | C27 | C17 | N16 | 163.9° | 65.0° |
| O28 | C27 | C17 | C19 | 71.7° | 55.0° |
| O28 | C27 | C17 | H4 | 45.4° | 175.0° |
| O28 | C27 | H18 | H19 | 119.3° | 120.0° |
| C23 | C35 | C34 | C37 | 119.2° | 120.0° |
| C23 | C35 | C34 | C36 | 117.9° | 120.1° |
| C23 | C35 | C34 | C14 | 176.8° | 60.9° |
| C23 | C35 | C37 | C36 | 114.4° | 120.0° |
| C35 | C23 | H15 | H16 | 120.0° | 120.1° |
| C35 | C23 | H15 | H17 | 120.0° | 119.9° |
| C35 | C23 | H16 | H17 | 120.0° | 120.0° |
| C23 | C35 | C34 | H22 | 55.9° | 59.2° |
| C23 | C35 | C34 | H23 | 62.4° | 179.2° |
| C23 | C35 | C36 | H24 | 180.0° | 79.0° |
| C23 | C35 | C36 | H25 | 60.0° | 161.0° |
| C23 | C35 | C36 | H26 | 60.0° | 41.0° |
| C23 | C35 | C37 | H27 | 180.0° | 60.0° |
| C23 | C35 | C37 | H28 | 60.0° | 180.0° |
| C23 | C35 | C37 | H29 | 60.0° | 60.0° |
| C27 | C17 | N16 | C15 | 120.9° | 85.0° |
| C27 | C17 | N16 | C19 | 123.1° | 120.0° |
| C27 | C17 | N16 | H4 | 118.0° | 120.0° |
| C27 | C17 | C19 | H4 | 117.1° | 120.0° |
| C27 | C17 | C19 | C20 | 175.1° | 175.0° |
| C27 | C17 | C19 | H7 | 64.4° | 65.0° |
| C27 | C17 | C19 | H8 | 54.5° | 55.0° |
| C17 | C27 | H18 | H19 | 119.3° | 120.0° |
| C27 | C17 | N16 | H38 | 59.1° | 95.0° |
| C17 | C27 | O28 | H40 | 180.0° | 180.0° |
| O38 | C15 | C14 | C34 | 81.6° | 122.3° |
| O38 | C15 | N16 | C14 | 179.8° | 179.9° |
| O38 | C15 | N16 | C17 | 7.1° | 0.0° |
| O38 | C15 | C14 | N13 | 42.7° | 2.2° |
| O38 | C15 | C14 | H3 | 160.1° | 117.8° |
| O38 | C15 | N16 | H38 | 172.9° | 179.9° |
| C35 | C34 | C14 | H22 | 120.8° | 120.0° |
| C35 | C34 | C14 | H23 | 120.8° | 119.9° |
| C35 | C34 | C14 | C15 | 156.1° | 66.1° |
| C34 | C35 | C37 | C36 | 124.2° | 120.0° |
| C35 | C34 | C14 | N13 | 80.9° | 53.9° |
| C35 | C34 | C14 | H3 | 37.7° | 174.0° |
| C34 | C35 | C23 | H15 | 180.0° | 42.1° |
| C34 | C35 | C23 | H16 | 60.0° | 162.2° |
| C34 | C35 | C23 | H17 | 60.0° | 77.8° |
| C35 | C34 | H22 | H23 | 117.4° | 120.0° |
| C34 | C35 | C36 | H24 | 59.8° | 161.0° |
| C34 | C35 | C36 | H25 | 179.8° | 40.9° |
| C34 | C35 | C36 | H26 | 60.2° | 79.0° |
| C34 | C35 | C37 | H27 | 58.6° | 60.0° |
| C34 | C35 | C37 | H28 | 61.4° | 60.0° |
| C34 | C35 | C37 | H29 | 178.6° | 180.0° |
| C34 | C14 | C15 | N16 | 98.5° | 57.8° |
| C34 | C14 | C15 | N13 | 124.4° | 120.0° |
| C34 | C14 | C15 | H3 | 118.3° | 119.9° |
| C14 | C34 | C35 | C37 | 64.0° | 179.2° |
| C14 | C34 | C35 | C36 | 58.9° | 59.2° |
| C34 | C14 | N13 | H3 | 117.9° | 120.0° |
| C34 | C14 | N13 | C12 | 159.2° | 79.7° |
| C14 | C34 | H22 | H23 | 117.4° | 120.0° |
| C34 | C14 | N13 | H37 | 20.8° | 100.3° |
| C15 | N16 | C17 | H38 | 180.0° | 180.0° |
| C15 | N16 | C17 | C19 | 116.0° | 155.0° |
| N16 | C15 | C14 | N13 | 137.1° | 177.8° |
| N16 | C15 | C14 | H3 | 19.7° | 62.2° |
| C15 | N16 | C17 | H4 | 2.9° | 35.0° |
| C14 | C15 | N16 | C17 | 172.7° | 180.0° |
| C15 | C14 | N13 | H3 | 116.9° | 120.0° |
| C15 | C14 | N13 | C12 | 75.5° | 160.3° |
| C15 | C14 | C34 | H22 | 35.3° | 53.9° |
| C15 | C14 | C34 | H23 | 83.1° | 174.0° |
| C15 | C14 | N13 | H37 | 104.5° | 19.7° |
| C14 | C15 | N16 | H38 | 7.3° | 0.0° |
| C37 | C35 | C23 | H15 | 56.6° | 77.9° |
| C37 | C35 | C23 | H16 | 63.4° | 42.2° |
| C37 | C35 | C23 | H17 | 176.6° | 162.2° |
| C37 | C35 | C34 | H22 | 175.1° | 60.8° |
| C37 | C35 | C34 | H23 | 56.8° | 59.2° |
| C37 | C35 | C36 | H24 | 65.8° | 41.0° |
| C37 | C35 | C36 | H25 | 54.3° | 79.0° |
| C37 | C35 | C36 | H26 | 174.3° | 161.0° |
| C35 | C37 | H27 | H28 | 120.0° | 120.0° |
| C35 | C37 | H27 | H29 | 120.0° | 120.0° |
| C35 | C37 | H28 | H29 | 120.0° | 120.0° |
| C36 | C35 | C23 | H15 | 59.3° | 162.2° |
| C36 | C35 | C23 | H16 | 179.3° | 77.8° |
| C36 | C35 | C23 | H17 | 60.7° | 42.3° |
| C36 | C35 | C34 | H22 | 62.0° | 179.2° |
| C36 | C35 | C34 | H23 | 179.7° | 60.7° |
| C35 | C36 | H24 | H25 | 120.0° | 120.0° |
| C35 | C36 | H24 | H26 | 120.0° | 119.9° |
| C35 | C36 | H25 | H26 | 120.0° | 119.9° |
| C36 | C35 | C37 | H27 | 65.6° | 180.0° |
| C36 | C35 | C37 | H28 | 174.4° | 60.0° |
| C36 | C35 | C37 | H29 | 54.4° | 60.0° |
| N16 | C17 | C19 | H4 | 119.5° | 120.0° |
| N16 | C17 | C19 | C20 | 61.5° | 65.0° |
| N16 | C17 | C19 | H7 | 59.0° | 55.0° |
| N16 | C17 | C19 | H8 | 177.9° | 175.0° |
| N16 | C17 | C27 | H18 | 43.7° | 55.0° |
| N16 | C17 | C27 | H19 | 75.8° | 175.0° |
| C17 | C19 | C20 | H7 | 120.5° | 120.0° |
| C17 | C19 | C20 | H8 | 120.5° | 120.0° |
| C17 | C19 | C20 | C21 | 64.0° | 178.8° |
| C17 | C19 | C20 | C24 | 178.4° | 66.4° |
| C17 | C19 | H7 | H8 | 118.4° | 120.0° |
| C17 | C19 | C20 | H10 | 57.3° | 56.1° |
| C19 | C17 | C27 | H18 | 168.1° | 175.0° |
| C19 | C17 | C27 | H19 | 48.6° | 65.0° |
| C19 | C17 | N16 | H38 | 64.0° | 25.0° |
| C14 | N13 | C12 | H37 | 180.0° | 180.0° |
| C14 | N13 | C12 | C11 | 174.7° | 175.2° |
| C14 | N13 | C12 | O33 | 4.2° | 4.8° |
| N13 | C14 | C34 | H22 | 158.3° | 173.9° |
| N13 | C14 | C34 | H23 | 40.0° | 66.0° |
| N13 | C12 | C11 | O33 | 178.8° | 180.0° |
| N13 | C12 | C11 | C30 | 122.3° | 60.0° |
| N13 | C12 | C11 | N10 | 119.0° | 180.0° |
| N13 | C12 | C11 | H2 | 0.9° | 60.0° |
| C12 | N13 | C14 | H3 | 41.3° | 40.3° |
| C18 | C8 | C30 | H34 | 109.5° | 107.4° |
| C18 | C8 | C30 | H35 | 109.5° | 107.4° |
| C8 | C18 | C30 | H5 | 109.4° | 107.4° |
| C8 | C18 | C30 | H6 | 109.4° | 107.5° |
| C8 | C18 | C30 | C11 | 99.8° | 107.5° |
| C8 | C18 | H5 | H6 | 144.8° | 145.6° |
| C18 | C8 | C30 | H21 | 108.8° | 107.5° |
| C18 | C8 | H34 | H35 | 144.7° | 145.6° |
| C8 | C30 | C11 | C12 | 77.7° | 111.3° |
| C8 | C30 | C11 | H21 | 143.1° | 145.6° |
| C8 | C30 | C11 | N10 | 160.9° | 8.7° |
| C8 | C30 | C11 | H2 | 43.9° | 128.7° |
| C30 | C8 | H34 | H35 | 144.7° | 145.8° |
| C19 | C20 | C21 | C24 | 120.9° | 118.7° |
| C19 | C20 | C21 | H10 | 121.4° | 122.6° |
| C19 | C20 | C21 | C22 | 138.2° | 93.9° |
| C19 | C20 | C24 | H10 | 124.3° | 122.5° |
| C19 | C20 | C24 | N23 | 129.9° | 102.5° |
| C19 | C20 | C24 | O26 | 51.1° | 77.6° |
| C20 | C19 | C17 | H4 | 58.0° | 55.0° |
| C20 | C19 | H7 | H8 | 118.4° | 120.0° |
| C19 | C20 | C21 | H11 | 19.0° | 24.2° |
| C19 | C20 | C21 | H12 | 102.5° | 148.0° |
| C20 | C21 | C22 | H11 | 119.3° | 118.1° |
| C20 | C21 | C22 | H12 | 119.3° | 118.1° |
| C21 | C20 | C24 | H10 | 117.7° | 118.8° |
| C20 | C21 | C22 | N23 | 17.5° | 25.4° |
| C21 | C20 | C24 | N23 | 11.9° | 16.2° |
| C21 | C20 | C24 | O26 | 169.2° | 163.7° |
| C21 | C20 | C19 | H7 | 175.4° | 61.2° |
| C21 | C20 | C19 | H8 | 56.5° | 58.7° |
| C20 | C21 | H11 | H12 | 122.1° | 123.8° |
| C20 | C21 | C22 | H13 | 136.9° | 93.6° |
| C20 | C21 | C22 | H14 | 102.0° | 144.4° |
| C22 | C21 | C20 | C24 | 17.4° | 24.8° |
| C21 | C22 | N23 | H13 | 119.4° | 119.0° |
| C21 | C22 | N23 | H14 | 119.4° | 119.0° |
| C21 | C22 | N23 | C24 | 10.7° | 17.0° |
| C22 | C21 | C20 | H10 | 100.4° | 143.5° |
| C22 | C21 | H11 | H12 | 122.1° | 123.8° |
| C21 | C22 | H13 | H14 | 121.8° | 122.0° |
| C21 | C22 | N23 | H39 | 169.3° | 163.0° |
| C12 | C11 | C30 | C18 | 12.1° | 180.0° |
| C12 | C11 | C30 | N10 | 121.3° | 120.0° |
| C12 | C11 | C30 | H2 | 121.6° | 120.0° |
| C12 | C11 | N10 | H2 | 119.3° | 120.0° |
| C12 | C11 | N10 | C9 | 90.4° | 155.0° |
| C12 | C11 | C30 | H21 | 139.2° | 34.3° |
| C12 | C11 | N10 | H36 | 89.6° | 25.0° |
| C11 | C12 | N13 | H37 | 5.3° | 4.8° |
| O33 | C12 | C11 | C30 | 58.8° | 120.0° |
| O33 | C12 | C11 | N10 | 59.9° | 0.0° |
| O33 | C12 | C11 | H2 | 179.7° | 120.0° |
| O33 | C12 | N13 | H37 | 175.8° | 175.2° |
| C20 | C24 | N23 | C22 | 0.8° | 0.4° |
| C20 | C24 | N23 | O26 | 178.9° | 179.9° |
| C24 | C20 | C19 | H7 | 61.1° | 53.6° |
| C24 | C20 | C19 | H8 | 57.9° | 173.5° |
| C24 | C20 | C21 | H11 | 101.9° | 142.9° |
| C24 | C20 | C21 | H12 | 136.7° | 93.3° |
| C20 | C24 | N23 | H39 | 179.2° | 179.6° |
| C18 | C30 | C11 | H21 | 151.3° | 145.7° |
| C18 | C30 | C11 | N10 | 133.4° | 60.0° |
| C18 | C30 | C11 | H2 | 109.5° | 60.0° |
| C30 | C18 | H5 | H6 | 144.9° | 145.7° |
| C22 | N23 | C24 | H39 | 180.0° | 179.9° |
| C22 | N23 | C24 | O26 | 179.8° | 179.6° |
| N23 | C22 | C21 | H11 | 101.8° | 143.5° |
| N23 | C22 | C21 | H12 | 136.7° | 92.7° |
| N23 | C22 | H13 | H14 | 121.8° | 121.9° |
| C30 | C11 | N10 | H2 | 116.3° | 120.0° |
| C30 | C11 | N10 | C9 | 145.2° | 85.0° |
| C11 | C30 | C18 | H5 | 9.6° | 145.1° |
| C11 | C30 | C18 | H6 | 150.8° | 0.0° |
| C11 | C30 | C8 | H34 | 142.4° | 145.0° |
| C11 | C30 | C8 | H35 | 1.4° | 0.1° |
| C30 | C11 | N10 | H36 | 34.8° | 95.1° |
| C11 | N10 | C9 | O29 | 10.8° | 0.0° |
| C11 | N10 | C9 | H36 | 180.0° | 179.9° |
| C11 | N10 | C9 | O8 | 168.2° | 180.0° |
| N10 | C11 | C30 | H21 | 17.9° | 154.3° |
| O29 | C9 | N10 | O8 | 179.1° | 180.0° |
| O29 | C9 | O8 | C7 | 26.0° | 0.0° |
| O29 | C9 | N10 | H36 | 169.2° | 180.0° |
| N23 | C24 | C20 | H10 | 105.8° | 135.0° |
| C24 | N23 | C22 | H13 | 130.1° | 101.9° |
| C24 | N23 | C22 | H14 | 108.7° | 136.0° |
| O26 | C24 | C20 | H10 | 73.1° | 44.9° |
| O26 | C24 | N23 | H39 | 0.2° | 0.3° |
| N10 | C9 | O8 | C7 | 154.9° | 180.0° |
| C9 | N10 | C11 | H2 | 28.9° | 35.0° |
| C9 | O8 | C7 | C4 | 70.1° | 180.0° |
| C9 | O8 | C7 | H32 | 50.3° | 60.0° |
| C9 | O8 | C7 | H33 | 169.5° | 60.0° |
| O8 | C9 | N10 | H36 | 11.8° | 0.1° |
| C2 | C3 | C4 | H20 | 180.0° | 180.0° |
| C3 | C2 | C1 | H9 | 180.0° | 180.0° |
| C2 | C3 | C4 | C7 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.8° | NaN° |
| C3 | C2 | C1 | C6 | 0.3° | 0.0° |
| C3 | C2 | C1 | H1 | 179.7° | 179.8° |
| C4 | C3 | C2 | C1 | 0.7° | 0.0° |
| C3 | C4 | C7 | O8 | 101.6° | 90.0° |
| C3 | C4 | C7 | C5 | 178.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C4 | C3 | C2 | H9 | 179.3° | 180.0° |
| C3 | C4 | C5 | H30 | 179.5° | 180.0° |
| C3 | C4 | C7 | H32 | 18.8° | 150.0° |
| C3 | C4 | C7 | H33 | 138.0° | 30.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C1 | C2 | C3 | H20 | 179.3° | 180.0° |
| C2 | C1 | C6 | H31 | 179.9° | 179.7° |
| O8 | C7 | C4 | H32 | 120.4° | 120.1° |
| O8 | C7 | C4 | H33 | 120.4° | 120.0° |
| O8 | C7 | C4 | C5 | 79.5° | 90.1° |
| O8 | C7 | H32 | H33 | 118.9° | 120.0° |
| C7 | C4 | C5 | C6 | 179.4° | 179.9° |
| C7 | C4 | C3 | H20 | 0.3° | 0.0° |
| C7 | C4 | C5 | H30 | 0.6° | 0.0° |
| C4 | C7 | H32 | H33 | 118.8° | 120.0° |
| C4 | C5 | C6 | C1 | 0.2° | 0.1° |
| C4 | C5 | C6 | H30 | 180.0° | 179.9° |
| C5 | C4 | C3 | H20 | 179.2° | 180.0° |
| C4 | C5 | C6 | H31 | 179.8° | 179.7° |
| C5 | C4 | C7 | H32 | 160.1° | 30.0° |
| C5 | C4 | C7 | H33 | 40.9° | 150.0° |
| C1 | C6 | C5 | H31 | 180.0° | 179.6° |
| C6 | C1 | C2 | H9 | 179.6° | 180.0° |
| C1 | C6 | C5 | H30 | 179.8° | 180.0° |
| C5 | C6 | C1 | H1 | 179.9° | 179.7° |
| H1 | C1 | C2 | H9 | 0.4° | 0.3° |
| H1 | C1 | C6 | H31 | 0.1° | 0.1° |
| H2 | C11 | C30 | H21 | 99.2° | 85.7° |
| H2 | C11 | N10 | H36 | 151.1° | 145.0° |
| H3 | C14 | C34 | H22 | 83.1° | 66.1° |
| H3 | C14 | C34 | H23 | 158.5° | 54.0° |
| H3 | C14 | N13 | H37 | 138.7° | 139.7° |
| H4 | C17 | C19 | H7 | 178.5° | 175.0° |
| H4 | C17 | C19 | H8 | 62.6° | 65.0° |
| H4 | C17 | C27 | H18 | 74.9° | 65.0° |
| H4 | C17 | C27 | H19 | 165.6° | 55.0° |
| H4 | C17 | N16 | H38 | 177.1° | 145.0° |
| H5 | C18 | C30 | H21 | 141.7° | 0.0° |
| H5 | C18 | C8 | H34 | 141.1° | 0.1° |
| H5 | C18 | C8 | H35 | 0.0° | 144.9° |
| H6 | C18 | C30 | H21 | 0.5° | 145.0° |
| H6 | C18 | C8 | H34 | 0.1° | 145.0° |
| H6 | C18 | C8 | H35 | 141.1° | 0.0° |
| H7 | C19 | C20 | H10 | 63.2° | 176.1° |
| H8 | C19 | C20 | H10 | 177.8° | 63.9° |
| H9 | C2 | C3 | H20 | 0.7° | 0.0° |
| H10 | C20 | C21 | H11 | 140.3° | 98.4° |
| H10 | C20 | C21 | H12 | 18.9° | 25.4° |
| H11 | C21 | C22 | H13 | 17.6° | 24.5° |
| H11 | C21 | C22 | H14 | 138.8° | 97.5° |
| H12 | C21 | C22 | H13 | 103.9° | 148.4° |
| H12 | C21 | C22 | H14 | 17.3° | 26.3° |
| H13 | C22 | N23 | H39 | 49.9° | 78.0° |
| H14 | C22 | N23 | H39 | 71.3° | 44.0° |
| H15 | C23 | H16 | H17 | 120.0° | 120.0° |
| H18 | C27 | O28 | H40 | 59.8° | 60.0° |
| H19 | C27 | O28 | H40 | 59.7° | 60.0° |
| H21 | C30 | C8 | H34 | 0.6° | 0.1° |
| H21 | C30 | C8 | H35 | 141.7° | 145.1° |
| H24 | C36 | H25 | H26 | 120.0° | 120.1° |
| H27 | C37 | H28 | H29 | 120.0° | 119.9° |
| H30 | C5 | C6 | H31 | 0.2° | 0.3° |
