Q6Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.21Å | 1.21Å | |
| O | C | doub | 1.22Å | 1.23Å | |
| C2 | O1 | sing | 1.34Å | 1.31Å | |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C11 | C3 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C16 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C1 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C | N | sing | 1.35Å | 1.34Å | |
| C | C12 | sing | 1.48Å | 1.48Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| C1 | C7 | sing | 1.53Å | 1.55Å | |
| C10 | C8 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C22 | C12 | sing | 1.41Å | 1.40Å | Aromatic |
| C22 | C13 | doub | 1.36Å | 1.37Å | Aromatic |
| O3 | C15 | sing | 1.36Å | 1.37Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C12 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C15 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C9 | C5 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.48Å | |
| C13 | N2 | sing | 1.37Å | 1.37Å | Aromatic |
| C14 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| N1 | N2 | sing | 1.40Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| N2 | C23 | sing | 1.39Å | 1.43Å | |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | O4 | sing | 1.36Å | 1.37Å | |
| O4 | C21 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | doub | 1.36Å | 1.36Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.42Å | Aromatic |
| C23 | C24 | doub | 1.41Å | 1.42Å | Aromatic |
| C23 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | C29 | sing | 1.42Å | 1.42Å | Aromatic |
| C31 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| C27 | CL | sing | 1.74Å | 1.74Å | |
| C27 | C28 | doub | 1.36Å | 1.37Å | Aromatic |
| C29 | C28 | sing | 1.41Å | 1.41Å | Aromatic |
| C29 | N3 | doub | 1.34Å | 1.37Å | Aromatic |
| C30 | N3 | sing | 1.31Å | 1.32Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | O1 | 121.9° | 120.0° |
| O2 | C2 | C1 | 125.7° | 120.0° |
| O | C | N | 124.3° | 120.0° |
| O | C | C12 | 120.9° | 120.0° |
| O1 | C2 | C1 | 112.3° | 120.0° |
| C2 | O1 | H1 | 109.5° | 117.0° |
| C2 | C1 | C3 | 112.8° | 109.5° |
| C2 | C1 | N | 105.7° | 109.5° |
| C2 | C1 | C7 | 111.1° | 109.5° |
| C3 | C11 | C10 | 110.0° | 109.5° |
| C11 | C3 | C1 | 110.2° | 109.5° |
| C11 | C3 | C4 | 108.4° | 109.5° |
| C11 | C3 | H2 | 109.5° | 109.5° |
| C3 | C11 | H14 | 109.3° | 109.5° |
| C3 | C11 | H15 | 109.3° | 109.4° |
| C11 | C10 | C8 | 109.5° | 109.5° |
| C11 | C10 | C9 | 109.3° | 109.5° |
| C11 | C10 | H13 | 109.5° | 109.5° |
| C10 | C11 | H14 | 109.3° | 109.5° |
| C10 | C11 | H15 | 109.3° | 109.5° |
| C16 | O3 | C15 | 117.9° | 117.0° |
| O3 | C16 | H16 | 109.5° | 109.4° |
| O3 | C16 | H18 | 109.5° | 109.4° |
| O3 | C16 | H17 | 109.5° | 109.4° |
| C1 | C3 | C4 | 109.9° | 109.5° |
| C3 | C1 | N | 109.9° | 109.5° |
| C3 | C1 | C7 | 107.8° | 109.5° |
| C1 | C3 | H2 | 109.4° | 109.5° |
| C3 | C4 | C5 | 109.9° | 109.5° |
| C3 | C4 | H4 | 109.4° | 109.5° |
| C3 | C4 | H3 | 109.4° | 109.4° |
| C4 | C3 | H2 | 109.5° | 109.4° |
| N | C | C12 | 114.9° | 120.0° |
| C | N | C1 | 123.8° | 120.0° |
| C | N | H | 118.1° | 120.0° |
| C | C12 | C22 | 126.7° | 125.8° |
| C | C12 | N1 | 121.5° | 125.9° |
| N | C1 | C7 | 109.5° | 109.5° |
| C1 | N | H | 118.1° | 120.0° |
| C1 | C7 | C8 | 110.0° | 109.5° |
| C1 | C7 | C6 | 110.1° | 109.5° |
| C1 | C7 | H8 | 109.4° | 109.5° |
| C8 | C10 | C9 | 109.5° | 109.5° |
| C10 | C8 | C7 | 110.0° | 109.5° |
| C10 | C8 | H10 | 109.3° | 109.5° |
| C10 | C8 | H9 | 109.3° | 109.5° |
| C8 | C10 | H13 | 109.5° | 109.5° |
| C10 | C9 | C5 | 109.3° | 109.5° |
| C9 | C10 | H13 | 109.5° | 109.5° |
| C10 | C9 | H11 | 109.5° | 109.4° |
| C10 | C9 | H12 | 109.5° | 109.4° |
| C8 | C7 | C6 | 108.2° | 109.5° |
| C8 | C7 | H8 | 109.6° | 109.5° |
| C7 | C8 | H10 | 109.3° | 109.5° |
| C7 | C8 | H9 | 109.3° | 109.4° |
| C12 | C22 | C13 | 105.8° | 107.8° |
| C22 | C12 | N1 | 111.8° | 108.3° |
| C12 | C22 | H25 | 127.1° | 126.1° |
| C22 | C13 | C14 | 129.7° | 126.2° |
| C22 | C13 | N2 | 106.5° | 107.6° |
| C13 | C22 | H25 | 127.1° | 126.1° |
| O3 | C15 | C17 | 124.2° | 120.1° |
| O3 | C15 | C14 | 115.3° | 120.1° |
| C4 | C5 | C9 | 109.5° | 109.5° |
| C4 | C5 | C6 | 109.5° | 109.5° |
| C5 | C4 | H4 | 109.4° | 109.5° |
| C5 | C4 | H3 | 109.4° | 109.5° |
| C4 | C5 | H5 | 109.5° | 109.5° |
| C12 | N1 | N2 | 103.9° | 108.4° |
| C7 | C6 | C5 | 109.9° | 109.5° |
| C7 | C6 | H6 | 109.3° | 109.4° |
| C7 | C6 | H7 | 109.4° | 109.4° |
| C6 | C7 | H8 | 109.6° | 109.5° |
| C17 | C15 | C14 | 120.5° | 119.8° |
| C15 | C17 | C18 | 119.7° | 120.2° |
| C15 | C17 | H19 | 120.2° | 119.9° |
| C15 | C14 | C13 | 122.0° | 120.2° |
| C15 | C14 | C20 | 118.7° | 119.6° |
| C9 | C5 | C6 | 109.5° | 109.5° |
| C9 | C5 | H5 | 109.4° | 109.4° |
| C5 | C9 | H11 | 109.5° | 109.5° |
| C5 | C9 | H12 | 109.5° | 109.5° |
| C17 | C18 | C19 | 120.8° | 120.4° |
| C17 | C18 | H20 | 119.6° | 119.8° |
| C18 | C17 | H19 | 120.1° | 119.9° |
| C14 | C13 | N2 | 123.8° | 126.2° |
| C13 | C14 | C20 | 119.3° | 120.2° |
| C13 | N2 | N1 | 112.0° | 108.0° |
| C13 | N2 | C23 | 128.5° | 126.0° |
| C14 | C20 | C19 | 120.4° | 119.8° |
| C14 | C20 | O4 | 115.3° | 120.1° |
| C6 | C5 | H5 | 109.5° | 109.5° |
| C5 | C6 | H6 | 109.4° | 109.5° |
| C5 | C6 | H7 | 109.4° | 109.5° |
| N1 | N2 | C23 | 119.5° | 126.0° |
| C18 | C19 | C20 | 119.8° | 120.2° |
| C18 | C19 | H21 | 120.1° | 119.9° |
| C19 | C18 | H20 | 119.6° | 119.8° |
| N2 | C23 | C24 | 122.7° | 121.0° |
| N2 | C23 | C31 | 118.2° | 121.1° |
| C19 | C20 | O4 | 124.2° | 120.1° |
| C20 | C19 | H21 | 120.1° | 119.9° |
| C20 | O4 | C21 | 118.0° | 117.0° |
| O4 | C21 | H22 | 109.5° | 109.5° |
| O4 | C21 | H24 | 109.5° | 109.4° |
| O4 | C21 | H23 | 109.5° | 109.5° |
| C26 | C25 | C24 | 121.1° | 119.7° |
| C25 | C26 | C27 | 119.7° | 120.8° |
| C25 | C26 | H27 | 120.2° | 119.6° |
| C26 | C25 | H26 | 119.4° | 120.1° |
| C25 | C24 | C23 | 124.5° | 121.4° |
| C25 | C24 | C29 | 118.3° | 119.7° |
| C24 | C25 | H26 | 119.4° | 120.2° |
| C24 | C23 | C31 | 118.9° | 117.9° |
| C23 | C24 | C29 | 117.2° | 118.9° |
| C23 | C31 | C30 | 119.2° | 119.7° |
| C23 | C31 | H30 | 120.4° | 120.1° |
| C26 | C27 | CL | 118.9° | 119.5° |
| C26 | C27 | C28 | 122.1° | 121.0° |
| C27 | C26 | H27 | 120.2° | 119.6° |
| C24 | C29 | C28 | 119.4° | 119.1° |
| C24 | C29 | N3 | 122.6° | 120.0° |
| C31 | C30 | N3 | 124.7° | 121.8° |
| C31 | C30 | H29 | 117.7° | 119.1° |
| C30 | C31 | H30 | 120.4° | 120.1° |
| CL | C27 | C28 | 119.0° | 119.5° |
| C27 | C28 | C29 | 119.4° | 119.8° |
| C27 | C28 | H28 | 120.3° | 120.1° |
| C28 | C29 | N3 | 118.0° | 120.9° |
| C29 | C28 | H28 | 120.3° | 120.1° |
| C29 | N3 | C30 | 117.3° | 121.6° |
| N3 | C30 | H29 | 117.6° | 119.1° |
| H4 | C4 | H3 | 109.4° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H10 | C8 | H9 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H22 | C21 | H24 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.4° | 109.5° |
| H24 | C21 | H23 | 109.5° | 109.5° |
| H16 | C16 | H18 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H18 | C16 | H17 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | O1 | C1 | 179.7° | 180.0° |
| O2 | C2 | C1 | C3 | 46.7° | 20.2° |
| O2 | C2 | C1 | N | 166.9° | 140.1° |
| O2 | C2 | C1 | C7 | 74.4° | 99.8° |
| O2 | C2 | O1 | H1 | 0.0° | 0.0° |
| O | C | N | C12 | 178.3° | 180.0° |
| O | C | N | C1 | 16.6° | 0.0° |
| O | C | C12 | C22 | 0.1° | 0.0° |
| O | C | C12 | N1 | 179.2° | 180.0° |
| O | C | N | H | 163.4° | 180.0° |
| O1 | C2 | C1 | C3 | 133.6° | 159.9° |
| O1 | C2 | C1 | N | 13.4° | 39.9° |
| O1 | C2 | C1 | C7 | 105.2° | 80.1° |
| C2 | C1 | C3 | C11 | 63.5° | 60.0° |
| C2 | C1 | C3 | N | 117.7° | 120.0° |
| C2 | C1 | C3 | C7 | 123.0° | 120.0° |
| C2 | C1 | C3 | C4 | 177.1° | 180.0° |
| C2 | C1 | N | C | 67.4° | 60.0° |
| C2 | C1 | N | C7 | 119.7° | 120.0° |
| C2 | C1 | C7 | C8 | 64.6° | 60.0° |
| C2 | C1 | C7 | C6 | 176.3° | 180.0° |
| C2 | C1 | C7 | H8 | 55.8° | 60.0° |
| C2 | C1 | C3 | H2 | 56.9° | 60.0° |
| C1 | C2 | O1 | H1 | 179.7° | 180.0° |
| C2 | C1 | N | H | 112.6° | 120.0° |
| C3 | C11 | C10 | H14 | 120.1° | 120.0° |
| C3 | C11 | C10 | H15 | 120.1° | 120.0° |
| C11 | C3 | C1 | C4 | 119.3° | 120.0° |
| C11 | C3 | C1 | H2 | 120.4° | 120.0° |
| C11 | C3 | C4 | H2 | 119.4° | 120.0° |
| C11 | C3 | C1 | N | 178.7° | 180.0° |
| C11 | C3 | C1 | C7 | 59.5° | 60.0° |
| C3 | C11 | C10 | C8 | 59.3° | 60.0° |
| C3 | C11 | C10 | C9 | 60.7° | 60.0° |
| C11 | C3 | C4 | C5 | 59.7° | 60.0° |
| C11 | C3 | C4 | H4 | 60.3° | 180.0° |
| C11 | C3 | C4 | H3 | 179.8° | 60.0° |
| C3 | C11 | C10 | H13 | 179.3° | 180.0° |
| C3 | C11 | H14 | H15 | 119.8° | 120.0° |
| C10 | C11 | C3 | C1 | 60.2° | 60.0° |
| C10 | C11 | C3 | C4 | 60.0° | 60.0° |
| C11 | C10 | C8 | C9 | 119.9° | 120.0° |
| C11 | C10 | C8 | H13 | 120.1° | 120.0° |
| C11 | C10 | C9 | H13 | 120.0° | 120.0° |
| C11 | C10 | C8 | C7 | 59.4° | 60.0° |
| C11 | C10 | C9 | C5 | 60.1° | 60.0° |
| C11 | C10 | C8 | H10 | 60.7° | 180.0° |
| C11 | C10 | C8 | H9 | 179.5° | 60.0° |
| C10 | C11 | C3 | H2 | 179.4° | 180.0° |
| C11 | C10 | C9 | H11 | 179.9° | 60.0° |
| C11 | C10 | C9 | H12 | 59.8° | 180.0° |
| C10 | C11 | H14 | H15 | 119.8° | 120.0° |
| C16 | O3 | C15 | C17 | 17.1° | 5.1° |
| C16 | O3 | C15 | C14 | 164.0° | 174.4° |
| O3 | C16 | H16 | H18 | 120.0° | 120.0° |
| O3 | C16 | H16 | H17 | 120.0° | 119.9° |
| O3 | C16 | H18 | H17 | 120.0° | 120.0° |
| C1 | C3 | C4 | H2 | 120.1° | 120.0° |
| C3 | C1 | N | C | 54.6° | 60.0° |
| C3 | C1 | N | C7 | 118.2° | 120.0° |
| C3 | C1 | C7 | C8 | 59.5° | 60.0° |
| C1 | C3 | C4 | C5 | 60.7° | 60.0° |
| C3 | C1 | C7 | C6 | 59.6° | 60.0° |
| C1 | C3 | C4 | H4 | 179.2° | 60.0° |
| C1 | C3 | C4 | H3 | 59.4° | 180.0° |
| C3 | C1 | C7 | H8 | 179.9° | 180.0° |
| C3 | C1 | N | H | 125.3° | 120.0° |
| C1 | C3 | C11 | H14 | 59.8° | 180.0° |
| C1 | C3 | C11 | H15 | 179.7° | 60.0° |
| C4 | C3 | C1 | N | 59.4° | 60.0° |
| C4 | C3 | C1 | C7 | 59.8° | 60.0° |
| C3 | C4 | C5 | H4 | 120.1° | 120.0° |
| C3 | C4 | C5 | H3 | 120.1° | 120.0° |
| C3 | C4 | C5 | C9 | 60.3° | 60.0° |
| C3 | C4 | C5 | C6 | 59.7° | 60.0° |
| C3 | C4 | H4 | H3 | 119.8° | 120.0° |
| C3 | C4 | C5 | H5 | 179.7° | 180.0° |
| C4 | C3 | C11 | H14 | 179.9° | 60.0° |
| C4 | C3 | C11 | H15 | 60.1° | 180.0° |
| C | N | C1 | H | 180.0° | 180.0° |
| C | N | C1 | C7 | 172.8° | 180.0° |
| N | C | C12 | C22 | 178.3° | 180.0° |
| N | C | C12 | N1 | 0.8° | 0.0° |
| C12 | C | N | C1 | 165.0° | 180.0° |
| C | C12 | C22 | N1 | 179.2° | 180.0° |
| C | C12 | C22 | C13 | 179.2° | 180.0° |
| C | C12 | N1 | N2 | 179.1° | 179.9° |
| C | C12 | C22 | H25 | 0.8° | 0.0° |
| C12 | C | N | H | 15.0° | 0.0° |
| N | C1 | C7 | C8 | 179.0° | 180.0° |
| N | C1 | C7 | C6 | 59.9° | 60.0° |
| N | C1 | C7 | H8 | 60.6° | 60.0° |
| N | C1 | C3 | H2 | 60.8° | 60.0° |
| C1 | C7 | C8 | C10 | 60.3° | 60.0° |
| C1 | C7 | C8 | C6 | 120.3° | 120.0° |
| C1 | C7 | C8 | H8 | 120.3° | 120.0° |
| C1 | C7 | C6 | H8 | 120.3° | 120.0° |
| C1 | C7 | C6 | C5 | 60.2° | 60.0° |
| C1 | C7 | C6 | H6 | 59.9° | 180.0° |
| C1 | C7 | C6 | H7 | 179.7° | 60.0° |
| C1 | C7 | C8 | H10 | 59.8° | 180.0° |
| C1 | C7 | C8 | H9 | 179.6° | 60.0° |
| C7 | C1 | C3 | H2 | 179.9° | 180.0° |
| C7 | C1 | N | H | 7.1° | 0.0° |
| C8 | C10 | C9 | H13 | 120.0° | 120.0° |
| C10 | C8 | C7 | H10 | 120.1° | 120.0° |
| C10 | C8 | C7 | H9 | 120.1° | 120.0° |
| C10 | C8 | C7 | C6 | 60.0° | 60.0° |
| C8 | C10 | C9 | C5 | 59.9° | 60.0° |
| C10 | C8 | C7 | H8 | 179.4° | 180.0° |
| C10 | C8 | H10 | H9 | 119.7° | 120.0° |
| C8 | C10 | C9 | H11 | 60.1° | 180.0° |
| C8 | C10 | C9 | H12 | 179.8° | 60.0° |
| C8 | C10 | C11 | H14 | 60.8° | 180.0° |
| C8 | C10 | C11 | H15 | 179.4° | 60.0° |
| C9 | C10 | C8 | C7 | 60.5° | 60.0° |
| C10 | C9 | C5 | C4 | 60.0° | 60.0° |
| C10 | C9 | C5 | H11 | 120.0° | 120.0° |
| C10 | C9 | C5 | H12 | 120.0° | 120.0° |
| C10 | C9 | C5 | C6 | 60.0° | 60.0° |
| C10 | C9 | C5 | H5 | 179.9° | 180.0° |
| C9 | C10 | C8 | H10 | 179.4° | 60.0° |
| C9 | C10 | C8 | H9 | 59.6° | 180.0° |
| C10 | C9 | H11 | H12 | 120.1° | 120.0° |
| C9 | C10 | C11 | H14 | 179.2° | 60.0° |
| C9 | C10 | C11 | H15 | 59.4° | 180.0° |
| C8 | C7 | C6 | H8 | 119.4° | 120.0° |
| C8 | C7 | C6 | C5 | 60.1° | 60.0° |
| C8 | C7 | C6 | H6 | 179.9° | 60.0° |
| C8 | C7 | C6 | H7 | 60.0° | 180.0° |
| C7 | C8 | H10 | H9 | 119.7° | 120.0° |
| C7 | C8 | C10 | H13 | 179.5° | 180.0° |
| C12 | C22 | C13 | H25 | 180.0° | 180.0° |
| C12 | C22 | C13 | C14 | 178.8° | 179.8° |
| C12 | C22 | C13 | N2 | 0.2° | 0.1° |
| C22 | C12 | N1 | N2 | 0.1° | 0.1° |
| C13 | C22 | C12 | N1 | 0.1° | 0.0° |
| C22 | C13 | C14 | C15 | 64.9° | 125.5° |
| C22 | C13 | C14 | N2 | 178.9° | 180.0° |
| C22 | C13 | C14 | C20 | 113.7° | 54.3° |
| C22 | C13 | N2 | N1 | 0.3° | 0.2° |
| C22 | C13 | N2 | C23 | 178.8° | 180.0° |
| O3 | C15 | C17 | C14 | 178.9° | 179.5° |
| O3 | C15 | C17 | C18 | 178.6° | 179.9° |
| O3 | C15 | C14 | C13 | 3.2° | 0.2° |
| O3 | C15 | C14 | C20 | 178.2° | 180.0° |
| O3 | C15 | C17 | H19 | 1.4° | 0.3° |
| C15 | O3 | C16 | H16 | 180.0° | 175.1° |
| C15 | O3 | C16 | H18 | 60.0° | 55.1° |
| C15 | O3 | C16 | H17 | 60.0° | 64.9° |
| C4 | C5 | C6 | C7 | 59.4° | 60.0° |
| C4 | C5 | C9 | C6 | 120.0° | 120.0° |
| C4 | C5 | C9 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C5 | C4 | H4 | H3 | 119.8° | 120.0° |
| C4 | C5 | C6 | H6 | 60.7° | 180.0° |
| C4 | C5 | C6 | H7 | 179.5° | 59.9° |
| C5 | C4 | C3 | H2 | 179.2° | 180.0° |
| C4 | C5 | C9 | H11 | 180.0° | 60.0° |
| C4 | C5 | C9 | H12 | 59.9° | 180.0° |
| C12 | N1 | N2 | C13 | 0.3° | 0.2° |
| C12 | N1 | N2 | C23 | 178.9° | 180.0° |
| N1 | C12 | C22 | H25 | 180.0° | 180.0° |
| C7 | C6 | C5 | C9 | 60.7° | 60.0° |
| C7 | C6 | C5 | H6 | 120.1° | 120.0° |
| C7 | C6 | C5 | H7 | 120.1° | 119.9° |
| C7 | C6 | C5 | H5 | 179.4° | 180.0° |
| C7 | C6 | H6 | H7 | 119.8° | 119.9° |
| C6 | C7 | C8 | H10 | 179.9° | 60.0° |
| C6 | C7 | C8 | H9 | 60.1° | 180.0° |
| C15 | C17 | C18 | H19 | 180.0° | 179.7° |
| C17 | C15 | C14 | C13 | 177.8° | 179.7° |
| C17 | C15 | C14 | C20 | 0.8° | 0.5° |
| C15 | C17 | C18 | C19 | 0.2° | 0.3° |
| C15 | C17 | C18 | H20 | 179.8° | 179.7° |
| C14 | C15 | C17 | C18 | 0.3° | 0.6° |
| C15 | C14 | C13 | C20 | 178.6° | 179.8° |
| C15 | C14 | C13 | N2 | 116.2° | 54.5° |
| C15 | C14 | C20 | C19 | 0.8° | 0.3° |
| C15 | C14 | C20 | O4 | 178.9° | 179.8° |
| C14 | C15 | C17 | H19 | 179.7° | 179.8° |
| C9 | C5 | C6 | H5 | 120.0° | 120.0° |
| C9 | C5 | C4 | H4 | 59.8° | 180.0° |
| C9 | C5 | C4 | H3 | 179.6° | 59.9° |
| C9 | C5 | C6 | H6 | 179.3° | 60.0° |
| C9 | C5 | C6 | H7 | 59.4° | 180.0° |
| C5 | C9 | C10 | H13 | 179.9° | 180.0° |
| C5 | C9 | H11 | H12 | 120.1° | 120.1° |
| C17 | C18 | C19 | H20 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.2° | 0.1° |
| C17 | C18 | C19 | H21 | 179.8° | 180.0° |
| C14 | C13 | N2 | N1 | 178.8° | 179.8° |
| C14 | C13 | N2 | C23 | 2.1° | 0.0° |
| C13 | C14 | C20 | C19 | 177.8° | 179.9° |
| C13 | C14 | C20 | O4 | 2.4° | 0.0° |
| C14 | C13 | C22 | H25 | 1.2° | 0.1° |
| N2 | C13 | C14 | C20 | 65.2° | 125.7° |
| C13 | N2 | N1 | C23 | 179.2° | 179.8° |
| C13 | N2 | C23 | C24 | 61.0° | 131.3° |
| C13 | N2 | C23 | C31 | 115.0° | 48.4° |
| N2 | C13 | C22 | H25 | 179.8° | 179.9° |
| C14 | C20 | C19 | C18 | 0.3° | 0.0° |
| C14 | C20 | C19 | O4 | 179.7° | 180.0° |
| C14 | C20 | O4 | C21 | 166.0° | 180.0° |
| C14 | C20 | C19 | H21 | 179.7° | 180.0° |
| C6 | C5 | C4 | H4 | 179.8° | 60.0° |
| C6 | C5 | C4 | H3 | 60.4° | 180.0° |
| C5 | C6 | H6 | H7 | 119.8° | 120.1° |
| C5 | C6 | C7 | H8 | 179.5° | 180.0° |
| C6 | C5 | C9 | H11 | 60.0° | 180.0° |
| C6 | C5 | C9 | H12 | 180.0° | 59.9° |
| N1 | N2 | C23 | C24 | 118.1° | 48.5° |
| N1 | N2 | C23 | C31 | 65.9° | 131.8° |
| C18 | C19 | C20 | H21 | 180.0° | 179.9° |
| C18 | C19 | C20 | O4 | 179.4° | 180.0° |
| C19 | C18 | C17 | H19 | 179.8° | 180.0° |
| N2 | C23 | C24 | C25 | 5.1° | 0.1° |
| N2 | C23 | C24 | C31 | 175.9° | 179.7° |
| N2 | C23 | C24 | C29 | 174.6° | 179.8° |
| N2 | C23 | C31 | C30 | 175.2° | 179.7° |
| N2 | C23 | C31 | H30 | 4.9° | 0.3° |
| C19 | C20 | O4 | C21 | 13.7° | 0.0° |
| C20 | C19 | C18 | H20 | 179.8° | 180.0° |
| C20 | O4 | C21 | H22 | 180.0° | 60.0° |
| C20 | O4 | C21 | H24 | 60.0° | 179.9° |
| C20 | O4 | C21 | H23 | 60.0° | 60.0° |
| O4 | C20 | C19 | H21 | 0.6° | 0.0° |
| O4 | C21 | H22 | H24 | 120.0° | 120.0° |
| O4 | C21 | H22 | H23 | 120.0° | 120.0° |
| O4 | C21 | H24 | H23 | 120.0° | 120.0° |
| C26 | C25 | C24 | H26 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 178.8° | 180.0° |
| C25 | C26 | C27 | H27 | 180.0° | 180.0° |
| C26 | C25 | C24 | C29 | 0.8° | 0.2° |
| C25 | C26 | C27 | CL | 179.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.4° | 0.2° |
| C25 | C24 | C23 | C29 | 179.7° | 179.8° |
| C25 | C24 | C23 | C31 | 179.0° | 179.7° |
| C24 | C25 | C26 | C27 | 0.3° | 0.0° |
| C25 | C24 | C29 | C28 | 0.7° | 0.2° |
| C25 | C24 | C29 | N3 | 179.4° | 179.8° |
| C24 | C25 | C26 | H27 | 179.7° | 180.0° |
| C24 | C23 | C31 | C30 | 1.0° | 0.1° |
| C23 | C24 | C29 | C28 | 179.0° | 179.9° |
| C23 | C24 | C29 | N3 | 0.9° | 0.1° |
| C23 | C24 | C25 | H26 | 1.2° | 0.1° |
| C24 | C23 | C31 | H30 | 179.0° | 180.0° |
| C31 | C23 | C24 | C29 | 1.3° | 0.1° |
| C23 | C31 | C30 | H30 | 180.0° | 180.0° |
| C23 | C31 | C30 | N3 | 0.0° | 0.0° |
| C23 | C31 | C30 | H29 | 180.0° | 180.0° |
| C26 | C27 | CL | C28 | 179.5° | 179.8° |
| C26 | C27 | C28 | C29 | 0.5° | 0.2° |
| C27 | C26 | C25 | H26 | 179.7° | 180.0° |
| C26 | C27 | C28 | H28 | 179.5° | 179.7° |
| C24 | C29 | C28 | C27 | 0.1° | 0.0° |
| C24 | C29 | C28 | N3 | 179.9° | 180.0° |
| C24 | C29 | N3 | C30 | 0.0° | 0.0° |
| C29 | C24 | C25 | H26 | 179.1° | 179.8° |
| C24 | C29 | C28 | H28 | 179.9° | 179.9° |
| C31 | C30 | N3 | C29 | 0.5° | 0.0° |
| C31 | C30 | N3 | H29 | 180.0° | 180.0° |
| CL | C27 | C28 | C29 | 178.9° | 180.0° |
| CL | C27 | C26 | H27 | 1.0° | 0.0° |
| CL | C27 | C28 | H28 | 1.1° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | N3 | 179.9° | 180.0° |
| C28 | C27 | C26 | H27 | 179.6° | 179.8° |
| C28 | C29 | N3 | C30 | 179.9° | 180.0° |
| N3 | C29 | C28 | H28 | 0.1° | 0.1° |
| C29 | N3 | C30 | H29 | 179.5° | 180.0° |
| N3 | C30 | C31 | H30 | 180.0° | 180.0° |
| H4 | C4 | C5 | H5 | 60.2° | 60.0° |
| H4 | C4 | C3 | H2 | 59.1° | 60.0° |
| H3 | C4 | C5 | H5 | 59.6° | 60.0° |
| H3 | C4 | C3 | H2 | 60.7° | 60.0° |
| H5 | C5 | C6 | H6 | 59.3° | 60.0° |
| H5 | C5 | C6 | H7 | 60.5° | 60.1° |
| H5 | C5 | C9 | H11 | 60.0° | 60.0° |
| H5 | C5 | C9 | H12 | 60.1° | 60.0° |
| H6 | C6 | C7 | H8 | 60.5° | 60.0° |
| H7 | C6 | C7 | H8 | 59.4° | 60.0° |
| H8 | C7 | C8 | H10 | 60.5° | 60.0° |
| H8 | C7 | C8 | H9 | 59.3° | 60.0° |
| H10 | C8 | C10 | H13 | 59.3° | 60.0° |
| H9 | C8 | C10 | H13 | 60.5° | 60.0° |
| H13 | C10 | C9 | H11 | 59.9° | 60.0° |
| H13 | C10 | C9 | H12 | 60.1° | 60.0° |
| H13 | C10 | C11 | H14 | 59.3° | 60.0° |
| H13 | C10 | C11 | H15 | 60.6° | 60.0° |
| H2 | C3 | C11 | H14 | 60.5° | 60.0° |
| H2 | C3 | C11 | H15 | 59.4° | 60.0° |
| H27 | C26 | C25 | H26 | 0.3° | 0.0° |
| H29 | C30 | C31 | H30 | 0.1° | 0.0° |
| H22 | C21 | H24 | H23 | 119.9° | 120.1° |
| H21 | C19 | C18 | H20 | 0.2° | 0.1° |
| H20 | C18 | C17 | H19 | 0.2° | 0.1° |
| H16 | C16 | H18 | H17 | 120.0° | 120.1° |
