KV3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C11 | sing | 1.73Å | 1.73Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | O2 | sing | 1.43Å | 1.42Å | |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.44Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| O2 | C23 | sing | 1.36Å | 1.39Å | |
| C23 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C8 | N | sing | 1.42Å | 1.41Å | |
| C20 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C14 | sing | 1.51Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | C4 | sing | 1.53Å | 1.55Å | |
| C14 | O1 | sing | 1.42Å | 1.42Å | |
| C4 | N | sing | 1.47Å | 1.50Å | |
| N | C5 | sing | 1.36Å | 1.37Å | |
| O1 | C15 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.51Å | 1.54Å | |
| C5 | O | doub | 1.22Å | 1.23Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C15 | C16 | sing | 1.54Å | 1.51Å | |
| C7 | O5 | doub | 1.22Å | 1.24Å | |
| C7 | N17 | sing | 1.37Å | 1.34Å | |
| C16 | N17 | sing | 1.49Å | 1.46Å | |
| N17 | C17 | sing | 1.47Å | 1.50Å | |
| C17 | C29 | sing | 1.53Å | 1.55Å | |
| C17 | C25 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.56Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | C30 | sing | 1.51Å | 1.52Å | |
| O3 | C30 | doub | 1.21Å | 1.20Å | |
| C30 | O4 | sing | 1.34Å | 1.34Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C4 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å | |
| C | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.08Å | 1.08Å | |
| C14 | H28 | sing | 1.10Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.08Å | 1.08Å | |
| C19 | H33 | sing | 1.08Å | 1.08Å | |
| C15 | H34 | sing | 1.09Å | 1.10Å | |
| C15 | H35 | sing | 1.09Å | 1.10Å | |
| C16 | H36 | sing | 1.09Å | 1.10Å | |
| C16 | H37 | sing | 1.09Å | 1.10Å | |
| C17 | H38 | sing | 1.09Å | 1.10Å | |
| O4 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C11 | C10 | 119.6° | 120.0° |
| CL | C11 | C12 | 119.4° | 120.3° |
| C10 | C11 | C12 | 120.9° | 119.7° |
| C11 | C10 | C9 | 117.6° | 119.5° |
| C11 | C10 | H10 | 121.2° | 120.2° |
| C11 | C12 | C13 | 121.2° | 120.9° |
| C11 | C12 | H27 | 119.4° | 119.8° |
| C10 | C9 | C8 | 121.8° | 121.2° |
| C10 | C9 | H9 | 119.1° | 119.4° |
| C9 | C10 | H10 | 121.2° | 120.4° |
| C24 | O2 | C23 | 119.4° | 116.9° |
| O2 | C24 | H29 | 109.5° | 109.5° |
| O2 | C24 | H30 | 109.5° | 109.5° |
| O2 | C24 | H31 | 109.5° | 109.4° |
| C | C1 | C2 | 109.2° | 109.5° |
| C | C1 | C3 | 107.4° | 109.5° |
| C | C1 | C4 | 112.3° | 109.4° |
| C1 | C | H24 | 109.5° | 109.5° |
| C1 | C | H25 | 109.5° | 109.4° |
| C1 | C | H26 | 109.5° | 109.5° |
| C12 | C13 | C8 | 118.6° | 119.3° |
| C12 | C13 | C14 | 120.3° | 116.9° |
| C13 | C12 | H27 | 119.4° | 119.3° |
| C21 | C22 | C23 | 120.8° | 119.9° |
| C22 | C21 | C20 | 118.8° | 120.0° |
| C22 | C21 | H12 | 120.6° | 120.0° |
| C21 | C22 | H32 | 119.6° | 120.0° |
| C22 | C23 | O2 | 126.8° | 120.1° |
| C22 | C23 | C18 | 119.2° | 119.9° |
| C23 | C22 | H32 | 119.7° | 120.0° |
| C9 | C8 | C13 | 119.8° | 119.4° |
| C9 | C8 | N | 118.1° | 119.1° |
| C8 | C9 | H9 | 119.1° | 119.4° |
| C21 | C20 | C19 | 119.8° | 120.2° |
| C21 | C20 | H11 | 120.1° | 120.0° |
| C20 | C21 | H12 | 120.6° | 120.0° |
| O2 | C23 | C18 | 114.0° | 120.0° |
| C23 | C18 | C19 | 121.0° | 119.9° |
| C23 | C18 | C14 | 117.5° | 120.0° |
| C8 | C13 | C14 | 121.0° | 123.8° |
| C13 | C8 | N | 122.0° | 121.5° |
| C13 | C14 | C18 | 115.4° | 109.7° |
| C13 | C14 | O1 | 103.2° | 111.8° |
| C13 | C14 | H28 | 109.0° | 108.2° |
| C8 | N | C4 | 124.7° | 120.5° |
| C8 | N | C5 | 113.7° | 116.3° |
| C20 | C19 | C18 | 120.3° | 120.0° |
| C19 | C20 | H11 | 120.1° | 119.9° |
| C20 | C19 | H33 | 119.9° | 120.0° |
| C19 | C18 | C14 | 121.4° | 120.0° |
| C18 | C19 | H33 | 119.8° | 120.0° |
| C18 | C14 | O1 | 109.5° | 110.5° |
| C18 | C14 | H28 | 108.9° | 108.0° |
| C2 | C1 | C3 | 112.3° | 109.5° |
| C2 | C1 | C4 | 106.0° | 109.5° |
| C1 | C2 | H1 | 109.5° | 109.4° |
| C1 | C2 | H2 | 109.5° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C3 | C1 | C4 | 109.8° | 109.5° |
| C1 | C3 | H4 | 109.5° | 109.5° |
| C1 | C3 | H5 | 109.5° | 109.5° |
| C1 | C3 | H6 | 109.4° | 109.5° |
| C1 | C4 | N | 115.4° | 109.5° |
| C1 | C4 | H22 | 108.0° | 109.4° |
| C1 | C4 | H23 | 108.0° | 109.5° |
| C14 | O1 | C15 | 123.5° | 115.4° |
| O1 | C14 | H28 | 110.6° | 108.6° |
| C4 | N | C5 | 119.7° | 123.2° |
| N | C4 | H22 | 108.0° | 109.5° |
| N | C4 | H23 | 108.0° | 109.5° |
| N | C5 | C6 | 118.0° | 120.6° |
| N | C5 | O | 122.0° | 120.4° |
| O1 | C15 | C16 | 112.3° | 109.5° |
| O1 | C15 | H34 | 108.8° | 109.4° |
| O1 | C15 | H35 | 108.7° | 109.6° |
| C6 | C5 | O | 119.8° | 119.1° |
| C5 | C6 | C7 | 109.0° | 106.8° |
| C5 | C6 | H7 | 109.6° | 110.1° |
| C5 | C6 | H8 | 109.6° | 109.9° |
| C6 | C7 | O5 | 116.5° | 120.8° |
| C6 | C7 | N17 | 127.6° | 118.9° |
| C7 | C6 | H7 | 109.6° | 110.3° |
| C7 | C6 | H8 | 109.6° | 110.9° |
| C15 | C16 | N17 | 111.8° | 106.3° |
| C16 | C15 | H34 | 108.7° | 109.6° |
| C16 | C15 | H35 | 108.8° | 109.3° |
| C15 | C16 | H36 | 108.9° | 110.1° |
| C15 | C16 | H37 | 108.9° | 109.9° |
| O5 | C7 | N17 | 115.8° | 120.4° |
| C7 | N17 | C16 | 126.4° | 112.5° |
| C7 | N17 | C17 | 115.5° | 124.7° |
| C16 | N17 | C17 | 117.9° | 122.8° |
| N17 | C16 | H36 | 108.9° | 110.2° |
| N17 | C16 | H37 | 108.9° | 110.1° |
| N17 | C17 | C29 | 116.2° | 109.5° |
| N17 | C17 | C25 | 110.5° | 109.5° |
| N17 | C17 | H38 | 105.9° | 109.5° |
| C29 | C17 | C25 | 112.5° | 109.4° |
| C17 | C29 | C28 | 116.4° | 109.5° |
| C17 | C29 | H20 | 107.7° | 109.5° |
| C17 | C29 | H21 | 107.7° | 109.5° |
| C29 | C17 | H38 | 105.3° | 109.5° |
| C17 | C25 | C26 | 108.8° | 109.5° |
| C17 | C25 | H13 | 109.6° | 109.4° |
| C17 | C25 | H14 | 109.6° | 109.5° |
| C25 | C17 | H38 | 105.4° | 109.5° |
| C29 | C28 | C27 | 109.9° | 109.4° |
| C29 | C28 | H18 | 109.4° | 109.4° |
| C29 | C28 | H19 | 109.4° | 109.4° |
| C28 | C29 | H20 | 107.7° | 109.4° |
| C28 | C29 | H21 | 107.7° | 109.5° |
| C25 | C26 | C27 | 115.6° | 109.4° |
| C25 | C26 | C30 | 110.6° | 109.5° |
| C26 | C25 | H13 | 109.6° | 109.5° |
| C26 | C25 | H14 | 109.6° | 109.5° |
| C25 | C26 | H15 | 107.0° | 109.5° |
| C28 | C27 | C26 | 108.0° | 109.5° |
| C28 | C27 | H16 | 109.8° | 109.5° |
| C28 | C27 | H17 | 109.8° | 109.5° |
| C27 | C28 | H18 | 109.4° | 109.5° |
| C27 | C28 | H19 | 109.4° | 109.5° |
| C27 | C26 | C30 | 108.7° | 109.5° |
| C27 | C26 | H15 | 107.2° | 109.5° |
| C26 | C27 | H16 | 109.9° | 109.5° |
| C26 | C27 | H17 | 109.9° | 109.5° |
| C26 | C30 | O3 | 123.0° | 120.0° |
| C26 | C30 | O4 | 113.3° | 120.0° |
| C30 | C26 | H15 | 107.4° | 109.5° |
| O3 | C30 | O4 | 123.7° | 120.0° |
| C30 | O4 | H39 | 109.5° | 117.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.4° |
| H4 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.4° |
| H7 | C6 | H8 | 109.4° | 108.8° |
| H13 | C25 | H14 | 109.5° | 109.5° |
| H16 | C27 | H17 | 109.4° | 109.4° |
| H18 | C28 | H19 | 109.5° | 109.5° |
| H20 | C29 | H21 | 109.5° | 109.4° |
| H22 | C4 | H23 | 109.5° | 109.5° |
| H24 | C | H25 | 109.5° | 109.4° |
| H24 | C | H26 | 109.5° | 109.5° |
| H25 | C | H26 | 109.5° | 109.5° |
| H29 | C24 | H30 | 109.4° | 109.5° |
| H29 | C24 | H31 | 109.5° | 109.4° |
| H30 | C24 | H31 | 109.5° | 109.4° |
| H34 | C15 | H35 | 109.5° | 109.4° |
| H36 | C16 | H37 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C11 | C10 | C12 | 177.3° | 180.0° |
| CL | C11 | C10 | C9 | 178.7° | 179.9° |
| CL | C11 | C12 | C13 | 179.9° | 180.0° |
| CL | C11 | C10 | H10 | 1.3° | 0.3° |
| CL | C11 | C12 | H27 | 0.0° | 0.3° |
| C11 | C10 | C9 | H10 | 180.0° | 179.8° |
| C10 | C11 | C12 | C13 | 2.8° | 0.0° |
| C11 | C10 | C9 | C8 | 2.0° | 0.6° |
| C11 | C10 | C9 | H9 | 178.0° | 179.2° |
| C10 | C11 | C12 | H27 | 177.3° | 179.7° |
| C12 | C11 | C10 | C9 | 4.0° | 0.1° |
| C11 | C12 | C13 | H27 | 180.0° | 179.7° |
| C11 | C12 | C13 | C8 | 0.7° | 0.8° |
| C11 | C12 | C13 | C14 | 176.7° | 178.1° |
| C12 | C11 | C10 | H10 | 176.0° | 179.7° |
| C10 | C9 | C8 | H9 | 180.0° | 179.8° |
| C10 | C9 | C8 | C13 | 1.3° | 1.4° |
| C10 | C9 | C8 | N | 179.3° | 179.4° |
| C24 | O2 | C23 | C22 | 7.0° | 0.5° |
| C24 | O2 | C23 | C18 | 172.8° | 180.0° |
| O2 | C24 | H29 | H30 | 120.0° | 120.1° |
| O2 | C24 | H29 | H31 | 120.0° | 120.0° |
| O2 | C24 | H30 | H31 | 120.0° | 119.9° |
| C | C1 | C2 | C3 | 119.0° | 120.0° |
| C | C1 | C2 | C4 | 121.2° | 120.0° |
| C | C1 | C3 | C4 | 122.4° | 120.0° |
| C | C1 | C4 | N | 72.8° | 23.1° |
| C | C1 | C2 | H1 | 180.0° | 45.9° |
| C | C1 | C2 | H2 | 60.0° | 74.1° |
| C | C1 | C2 | H3 | 60.0° | 165.9° |
| C | C1 | C3 | H4 | 180.0° | 179.9° |
| C | C1 | C3 | H5 | 60.0° | 60.0° |
| C | C1 | C3 | H6 | 60.0° | 59.9° |
| C | C1 | C4 | H22 | 166.3° | 143.0° |
| C | C1 | C4 | H23 | 48.0° | 97.0° |
| C1 | C | H24 | H25 | 120.0° | 119.9° |
| C1 | C | H24 | H26 | 120.0° | 120.0° |
| C1 | C | H25 | H26 | 120.0° | 120.0° |
| C12 | C13 | C8 | C9 | 2.6° | 1.4° |
| C12 | C13 | C8 | C14 | 176.0° | 178.8° |
| C12 | C13 | C8 | N | 179.4° | 179.4° |
| C12 | C13 | C14 | C18 | 33.5° | 72.3° |
| C12 | C13 | C14 | O1 | 86.0° | 164.8° |
| C12 | C13 | C14 | H28 | 156.4° | 45.3° |
| C21 | C22 | C23 | H32 | 180.0° | 180.0° |
| C22 | C21 | C20 | H12 | 180.0° | 179.9° |
| C21 | C22 | C23 | O2 | 178.3° | 179.7° |
| C21 | C22 | C23 | C18 | 2.0° | 0.2° |
| C22 | C21 | C20 | C19 | 3.7° | 0.1° |
| C22 | C21 | C20 | H11 | 176.3° | 179.7° |
| C23 | C22 | C21 | C20 | 3.6° | 0.0° |
| C22 | C23 | O2 | C18 | 179.8° | 179.5° |
| C22 | C23 | C18 | C19 | 0.6° | 0.4° |
| C22 | C23 | C18 | C14 | 178.4° | 180.0° |
| C23 | C22 | C21 | H12 | 176.4° | 180.0° |
| C9 | C8 | C13 | N | 177.9° | 177.9° |
| C9 | C8 | C13 | C14 | 178.7° | 177.4° |
| C9 | C8 | N | C4 | 106.6° | 64.4° |
| C9 | C8 | N | C5 | 89.1° | 115.4° |
| C8 | C9 | C10 | H10 | 178.0° | 179.6° |
| C21 | C20 | C19 | H11 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 2.4° | 0.2° |
| C20 | C21 | C22 | H32 | 176.4° | 180.0° |
| C21 | C20 | C19 | H33 | 177.6° | 179.7° |
| O2 | C23 | C18 | C19 | 179.6° | 179.9° |
| O2 | C23 | C18 | C14 | 1.8° | 0.5° |
| C23 | O2 | C24 | H29 | 180.0° | 60.0° |
| C23 | O2 | C24 | H30 | 60.0° | 60.1° |
| C23 | O2 | C24 | H31 | 60.0° | 180.0° |
| O2 | C23 | C22 | H32 | 1.7° | 0.3° |
| C23 | C18 | C14 | C13 | 80.4° | 155.6° |
| C23 | C18 | C19 | C20 | 0.8° | 0.4° |
| C23 | C18 | C19 | C14 | 177.7° | 179.6° |
| C23 | C18 | C14 | O1 | 163.6° | 80.7° |
| C23 | C18 | C14 | H28 | 42.6° | 37.9° |
| C18 | C23 | C22 | H32 | 178.0° | 179.8° |
| C23 | C18 | C19 | H33 | 179.2° | 179.4° |
| C8 | C13 | C14 | C18 | 150.6° | 108.8° |
| C8 | C13 | C14 | O1 | 90.0° | 14.0° |
| C13 | C8 | N | C4 | 71.4° | 113.5° |
| C13 | C8 | N | C5 | 92.9° | 66.6° |
| C13 | C8 | C9 | H9 | 178.7° | 178.4° |
| C8 | C13 | C12 | H27 | 179.3° | 179.5° |
| C8 | C13 | C14 | H28 | 27.6° | 133.6° |
| C14 | C13 | C8 | N | 3.4° | 0.5° |
| C13 | C14 | C18 | C19 | 101.8° | 24.8° |
| C13 | C14 | C18 | O1 | 115.9° | 123.7° |
| C13 | C14 | C18 | H28 | 123.0° | 117.7° |
| C13 | C14 | O1 | H28 | 116.5° | 119.3° |
| C13 | C14 | O1 | C15 | 153.8° | 146.0° |
| C14 | C13 | C12 | H27 | 3.2° | 1.6° |
| C8 | N | C4 | C1 | 94.8° | 51.9° |
| C8 | N | C4 | C5 | 163.4° | 179.8° |
| C8 | N | C5 | C6 | 6.1° | 171.0° |
| C8 | N | C5 | O | 178.6° | 10.1° |
| N | C8 | C9 | H9 | 0.7° | 0.4° |
| C8 | N | C4 | H22 | 144.3° | 171.9° |
| C8 | N | C4 | H23 | 26.1° | 68.1° |
| C20 | C19 | C18 | H33 | 180.0° | 179.8° |
| C20 | C19 | C18 | C14 | 178.5° | 180.0° |
| C19 | C20 | C21 | H12 | 176.2° | 180.0° |
| C19 | C18 | C14 | O1 | 14.2° | 98.8° |
| C18 | C19 | C20 | H11 | 177.6° | 179.9° |
| C19 | C18 | C14 | H28 | 135.2° | 142.5° |
| C18 | C14 | O1 | H28 | 120.0° | 118.2° |
| C18 | C14 | O1 | C15 | 82.7° | 91.6° |
| C14 | C18 | C19 | H33 | 1.5° | 0.1° |
| C2 | C1 | C3 | C4 | 117.6° | 120.0° |
| C2 | C1 | C4 | N | 168.0° | 96.9° |
| C1 | C2 | H1 | H2 | 120.0° | 119.9° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | C3 | H4 | 60.0° | 60.0° |
| C2 | C1 | C3 | H5 | 179.9° | 180.0° |
| C2 | C1 | C3 | H6 | 60.1° | 60.1° |
| C2 | C1 | C4 | H22 | 47.1° | 23.1° |
| C2 | C1 | C4 | H23 | 71.1° | 143.0° |
| C2 | C1 | C | H24 | 180.0° | 69.7° |
| C2 | C1 | C | H25 | 60.0° | 170.4° |
| C2 | C1 | C | H26 | 60.0° | 50.3° |
| C3 | C1 | C4 | N | 46.6° | 143.1° |
| C3 | C1 | C2 | H1 | 61.0° | 74.2° |
| C3 | C1 | C2 | H2 | 59.0° | 165.9° |
| C3 | C1 | C2 | H3 | 179.0° | 45.9° |
| C1 | C3 | H4 | H5 | 120.0° | 120.0° |
| C1 | C3 | H4 | H6 | 120.0° | 120.1° |
| C1 | C3 | H5 | H6 | 120.0° | 120.0° |
| C3 | C1 | C4 | H22 | 74.3° | 96.9° |
| C3 | C1 | C4 | H23 | 167.5° | 23.0° |
| C3 | C1 | C | H24 | 58.0° | 50.3° |
| C3 | C1 | C | H25 | 178.0° | 69.6° |
| C3 | C1 | C | H26 | 62.0° | 170.3° |
| C1 | C4 | N | H22 | 120.9° | 119.9° |
| C1 | C4 | N | H23 | 120.9° | 120.0° |
| C1 | C4 | N | C5 | 101.8° | 128.2° |
| C4 | C1 | C2 | H1 | 58.8° | 165.8° |
| C4 | C1 | C2 | H2 | 178.8° | 45.9° |
| C4 | C1 | C2 | H3 | 61.2° | 74.1° |
| C4 | C1 | C3 | H4 | 57.6° | 60.0° |
| C4 | C1 | C3 | H5 | 62.4° | 60.0° |
| C4 | C1 | C3 | H6 | 177.6° | 179.9° |
| C1 | C4 | H22 | H23 | 117.3° | 120.0° |
| C4 | C1 | C | H24 | 62.8° | 170.3° |
| C4 | C1 | C | H25 | 57.2° | 50.4° |
| C4 | C1 | C | H26 | 177.2° | 69.7° |
| C14 | O1 | C15 | C16 | 82.3° | 136.8° |
| C14 | O1 | C15 | H34 | 38.2° | 103.1° |
| C14 | O1 | C15 | H35 | 157.3° | 16.9° |
| C4 | N | C5 | C6 | 159.1° | 9.2° |
| C4 | N | C5 | O | 16.2° | 169.7° |
| N | C4 | H22 | H23 | 117.3° | 120.0° |
| N | C5 | C6 | O | 175.4° | 178.9° |
| N | C5 | C6 | C7 | 142.6° | 69.2° |
| N | C5 | C6 | H7 | 22.7° | 50.5° |
| N | C5 | C6 | H8 | 97.5° | 170.3° |
| C5 | N | C4 | H22 | 19.1° | 8.3° |
| C5 | N | C4 | H23 | 137.3° | 111.7° |
| O1 | C15 | C16 | H34 | 120.4° | 120.0° |
| O1 | C15 | C16 | H35 | 120.4° | 120.1° |
| O1 | C15 | C16 | N17 | 79.7° | 1.0° |
| C15 | O1 | C14 | H28 | 37.3° | 26.7° |
| O1 | C15 | H34 | H35 | 118.7° | 120.1° |
| O1 | C15 | C16 | H36 | 40.6° | 118.3° |
| O1 | C15 | C16 | H37 | 159.9° | 120.1° |
| C5 | C6 | C7 | H7 | 120.0° | 119.7° |
| C5 | C6 | C7 | H8 | 119.9° | 119.8° |
| C5 | C6 | C7 | O5 | 126.5° | 108.8° |
| C5 | C6 | C7 | N17 | 50.4° | 72.0° |
| C5 | C6 | H7 | H8 | 120.2° | 120.5° |
| O | C5 | C6 | C7 | 32.8° | 111.9° |
| O | C5 | C6 | H7 | 152.7° | 128.3° |
| O | C5 | C6 | H8 | 87.1° | 8.5° |
| C6 | C7 | O5 | N17 | 177.3° | 179.2° |
| C6 | C7 | N17 | C16 | 3.6° | 152.6° |
| C6 | C7 | N17 | C17 | 177.8° | 28.8° |
| C7 | C6 | H7 | H8 | 120.2° | 121.9° |
| C15 | C16 | N17 | C7 | 78.6° | 74.6° |
| C15 | C16 | N17 | H36 | 120.3° | 119.2° |
| C15 | C16 | N17 | H37 | 120.4° | 119.0° |
| C15 | C16 | N17 | C17 | 95.5° | 106.7° |
| C16 | C15 | H34 | H35 | 118.7° | 119.8° |
| C15 | C16 | H36 | H37 | 119.0° | 121.4° |
| O5 | C7 | N17 | C16 | 179.4° | 28.3° |
| O5 | C7 | N17 | C17 | 5.3° | 150.4° |
| O5 | C7 | C6 | H7 | 113.5° | 10.9° |
| O5 | C7 | C6 | H8 | 6.6° | 131.4° |
| C7 | N17 | C16 | C17 | 174.0° | 178.7° |
| C7 | N17 | C17 | C29 | 136.4° | 177.9° |
| C7 | N17 | C17 | C25 | 93.8° | 62.1° |
| N17 | C7 | C6 | H7 | 69.5° | 168.3° |
| N17 | C7 | C6 | H8 | 170.4° | 47.8° |
| C7 | N17 | C16 | H36 | 41.8° | 44.6° |
| C7 | N17 | C16 | H37 | 161.1° | 166.5° |
| C7 | N17 | C17 | H38 | 19.9° | 57.9° |
| C16 | N17 | C17 | C29 | 38.3° | 3.5° |
| C16 | N17 | C17 | C25 | 91.5° | 116.4° |
| N17 | C16 | C15 | H34 | 159.8° | 121.0° |
| N17 | C16 | C15 | H35 | 40.7° | 119.1° |
| N17 | C16 | H36 | H37 | 118.9° | 121.7° |
| C16 | N17 | C17 | H38 | 154.8° | 123.5° |
| N17 | C17 | C29 | C25 | 128.8° | 120.0° |
| N17 | C17 | C29 | H38 | 116.8° | 120.0° |
| N17 | C17 | C25 | H38 | 114.0° | 120.0° |
| N17 | C17 | C29 | C28 | 176.6° | 180.0° |
| N17 | C17 | C25 | C26 | 178.0° | 180.0° |
| N17 | C17 | C25 | H13 | 62.1° | 60.0° |
| N17 | C17 | C25 | H14 | 58.2° | 60.0° |
| N17 | C17 | C29 | H20 | 55.6° | 60.0° |
| N17 | C17 | C29 | H21 | 62.3° | 60.0° |
| C17 | N17 | C16 | H36 | 144.2° | 134.1° |
| C17 | N17 | C16 | H37 | 24.9° | 12.2° |
| C29 | C17 | C25 | H38 | 114.3° | 120.0° |
| C17 | C29 | C28 | H20 | 121.0° | 120.0° |
| C17 | C29 | C28 | H21 | 121.0° | 120.1° |
| C29 | C17 | C25 | C26 | 46.3° | 60.0° |
| C17 | C29 | C28 | C27 | 52.1° | 60.0° |
| C29 | C17 | C25 | H13 | 166.2° | 60.0° |
| C29 | C17 | C25 | H14 | 73.5° | 180.0° |
| C17 | C29 | C28 | H18 | 172.2° | 60.0° |
| C17 | C29 | C28 | H19 | 68.0° | 180.0° |
| C17 | C29 | H20 | H21 | 116.8° | 120.0° |
| C25 | C17 | C29 | C28 | 47.8° | 60.0° |
| C17 | C25 | C26 | H13 | 119.9° | 120.0° |
| C17 | C25 | C26 | H14 | 119.9° | 120.0° |
| C17 | C25 | C26 | C27 | 56.2° | 60.0° |
| C17 | C25 | C26 | C30 | 179.7° | 180.0° |
| C17 | C25 | H13 | H14 | 120.3° | 120.0° |
| C17 | C25 | C26 | H15 | 63.1° | 60.0° |
| C25 | C17 | C29 | H20 | 73.2° | 180.0° |
| C25 | C17 | C29 | H21 | 168.8° | 60.0° |
| C29 | C28 | C27 | H18 | 120.1° | 120.0° |
| C29 | C28 | C27 | H19 | 120.1° | 120.0° |
| C29 | C28 | C27 | C26 | 55.4° | 60.0° |
| C29 | C28 | C27 | H16 | 64.4° | 180.0° |
| C29 | C28 | C27 | H17 | 175.2° | 60.0° |
| C29 | C28 | H18 | H19 | 119.8° | 120.0° |
| C28 | C29 | H20 | H21 | 116.8° | 120.0° |
| C28 | C29 | C17 | H38 | 66.5° | 60.0° |
| C25 | C26 | C27 | C28 | 61.4° | 60.0° |
| C25 | C26 | C27 | C30 | 125.1° | 120.0° |
| C25 | C26 | C27 | H15 | 119.2° | 120.0° |
| C25 | C26 | C30 | H15 | 116.4° | 120.0° |
| C25 | C26 | C30 | O3 | 60.2° | 0.0° |
| C25 | C26 | C30 | O4 | 120.7° | 180.0° |
| C26 | C25 | H13 | H14 | 120.3° | 120.0° |
| C25 | C26 | C27 | H16 | 58.3° | 180.0° |
| C25 | C26 | C27 | H17 | 178.8° | 60.0° |
| C26 | C25 | C17 | H38 | 68.0° | 60.0° |
| C28 | C27 | C26 | H16 | 119.8° | 120.0° |
| C28 | C27 | C26 | H17 | 119.8° | 120.0° |
| C28 | C27 | C26 | C30 | 173.5° | 180.0° |
| C28 | C27 | C26 | H15 | 57.7° | 60.0° |
| C28 | C27 | H16 | H17 | 120.7° | 120.0° |
| C27 | C28 | H18 | H19 | 119.8° | 120.1° |
| C27 | C28 | C29 | H20 | 68.9° | 180.0° |
| C27 | C28 | C29 | H21 | 173.1° | 60.0° |
| C27 | C26 | C30 | H15 | 115.7° | 120.0° |
| C27 | C26 | C30 | O3 | 171.9° | 120.0° |
| C27 | C26 | C30 | O4 | 7.2° | 60.1° |
| C27 | C26 | C25 | H13 | 176.1° | 60.0° |
| C27 | C26 | C25 | H14 | 63.6° | 180.0° |
| C26 | C27 | H16 | H17 | 120.7° | 120.0° |
| C26 | C27 | C28 | H18 | 175.5° | 60.0° |
| C26 | C27 | C28 | H19 | 64.7° | 180.0° |
| C26 | C30 | O3 | O4 | 179.0° | 179.9° |
| C30 | C26 | C25 | H13 | 59.8° | 60.0° |
| C30 | C26 | C25 | H14 | 60.4° | 60.0° |
| C30 | C26 | C27 | H16 | 66.7° | 60.0° |
| C30 | C26 | C27 | H17 | 53.7° | 59.9° |
| C26 | C30 | O4 | H39 | 179.1° | 180.0° |
| O3 | C30 | C26 | H15 | 56.2° | 120.0° |
| O3 | C30 | O4 | H39 | 0.0° | 0.0° |
| O4 | C30 | C26 | H15 | 122.9° | 60.0° |
| H1 | C2 | H2 | H3 | 120.0° | 120.1° |
| H4 | C3 | H5 | H6 | 120.0° | 120.0° |
| H9 | C9 | C10 | H10 | 2.0° | 0.6° |
| H11 | C20 | C21 | H12 | 3.8° | 0.3° |
| H11 | C20 | C19 | H33 | 2.4° | 0.0° |
| H12 | C21 | C22 | H32 | 3.6° | 0.1° |
| H13 | C25 | C26 | H15 | 56.8° | 180.0° |
| H13 | C25 | C17 | H38 | 51.9° | 180.0° |
| H14 | C25 | C26 | H15 | 177.0° | 60.0° |
| H14 | C25 | C17 | H38 | 172.2° | 60.0° |
| H15 | C26 | C27 | H16 | 177.5° | 60.0° |
| H15 | C26 | C27 | H17 | 62.1° | 180.0° |
| H16 | C27 | C28 | H18 | 55.7° | 60.1° |
| H16 | C27 | C28 | H19 | 175.6° | 60.0° |
| H17 | C27 | C28 | H18 | 64.7° | 180.0° |
| H17 | C27 | C28 | H19 | 55.1° | 59.9° |
| H18 | C28 | C29 | H20 | 51.2° | 60.0° |
| H18 | C28 | C29 | H21 | 66.8° | 179.9° |
| H19 | C28 | C29 | H20 | 171.0° | 60.0° |
| H19 | C28 | C29 | H21 | 53.0° | 60.0° |
| H20 | C29 | C17 | H38 | 172.5° | 60.0° |
| H21 | C29 | C17 | H38 | 54.5° | 180.0° |
| H24 | C | H25 | H26 | 120.0° | 120.0° |
| H29 | C24 | H30 | H31 | 120.0° | 120.0° |
| H34 | C15 | C16 | H36 | 79.8° | 1.7° |
| H34 | C15 | C16 | H37 | 39.5° | 119.9° |
| H35 | C15 | C16 | H36 | 161.1° | 121.6° |
| H35 | C15 | C16 | H37 | 79.6° | 0.0° |
