CQ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C18 | sing | 1.53Å | 1.55Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C17 | C16 | sing | 1.51Å | 1.54Å | |
| C24 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | O2 | doub | 1.21Å | 1.21Å | |
| C16 | N4 | sing | 1.35Å | 1.39Å | |
| C8 | C9 | sing | 1.55Å | 1.52Å | |
| C8 | N3 | sing | 1.48Å | 1.47Å | |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.55Å | 1.53Å | |
| C13 | N4 | sing | 1.47Å | 1.48Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| N4 | C14 | sing | 1.47Å | 1.49Å | |
| C10 | C11 | sing | 1.54Å | 1.53Å | |
| C7 | N3 | sing | 1.47Å | 1.47Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| N3 | C11 | sing | 1.47Å | 1.47Å | |
| C12 | C5 | sing | 1.53Å | 1.55Å | |
| O | C3 | doub | 1.22Å | 1.21Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C6 | N2 | sing | 1.46Å | 1.47Å | |
| C | C3 | sing | 1.40Å | 1.46Å | |
| C | C1 | doub | 1.39Å | 1.35Å | |
| C3 | N1 | sing | 1.35Å | 1.39Å | |
| C5 | C15 | sing | 1.53Å | 1.53Å | |
| C5 | O1 | sing | 1.43Å | 1.42Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C1 | N2 | sing | 1.38Å | 1.39Å | |
| C1 | N | sing | 1.34Å | 1.48Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| N1 | C2 | sing | 1.35Å | 1.38Å | |
| C2 | N | doub | 1.30Å | 1.30Å | |
| C | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C25 | H5 | sing | 1.09Å | 1.10Å | |
| C25 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| O1 | H21 | sing | 0.97Å | 0.95Å | |
| C4 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.08Å | 1.08Å | |
| N2 | H25 | sing | 0.97Å | 1.00Å | |
| C6 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.09Å | 1.10Å | |
| C7 | H28 | sing | 1.09Å | 1.10Å | |
| C7 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H31 | sing | 1.09Å | 1.10Å | |
| C11 | H32 | sing | 1.09Å | 1.10Å | |
| C10 | H33 | sing | 1.09Å | 1.10Å | |
| C10 | H34 | sing | 1.09Å | 1.10Å | |
| C9 | H35 | sing | 1.09Å | 1.10Å | |
| C9 | H36 | sing | 1.09Å | 1.10Å | |
| C8 | H37 | sing | 1.09Å | 1.10Å | |
| C8 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C18 | C17 | 109.8° | 109.4° |
| C25 | C18 | C19 | 111.6° | 109.5° |
| C25 | C18 | H4 | 107.6° | 109.5° |
| C18 | C25 | H5 | 109.5° | 109.5° |
| C18 | C25 | H6 | 109.5° | 109.5° |
| C18 | C25 | H7 | 109.5° | 109.5° |
| C17 | C18 | C19 | 112.2° | 109.5° |
| C18 | C17 | C16 | 114.0° | 109.5° |
| C18 | C17 | H2 | 108.3° | 109.4° |
| C18 | C17 | H3 | 108.3° | 109.4° |
| C17 | C18 | H4 | 107.7° | 109.5° |
| C18 | C19 | C24 | 123.6° | 120.0° |
| C18 | C19 | C20 | 117.3° | 120.0° |
| C19 | C18 | H4 | 107.8° | 109.5° |
| C17 | C16 | O2 | 117.4° | 120.0° |
| C17 | C16 | N4 | 125.7° | 120.0° |
| C16 | C17 | H2 | 108.3° | 109.5° |
| C16 | C17 | H3 | 108.3° | 109.5° |
| C19 | C24 | C23 | 120.4° | 120.0° |
| C24 | C19 | C20 | 119.0° | 120.0° |
| C19 | C24 | H8 | 119.8° | 120.0° |
| C24 | C23 | C22 | 120.0° | 120.0° |
| C23 | C24 | H8 | 119.8° | 120.0° |
| C24 | C23 | H9 | 120.0° | 120.0° |
| C19 | C20 | C21 | 120.4° | 120.0° |
| C19 | C20 | H12 | 119.8° | 120.0° |
| C23 | C22 | C21 | 119.7° | 120.0° |
| C22 | C23 | H9 | 120.0° | 120.0° |
| C23 | C22 | H10 | 120.1° | 120.0° |
| C20 | C21 | C22 | 120.4° | 120.0° |
| C20 | C21 | H11 | 119.8° | 119.9° |
| C21 | C20 | H12 | 119.8° | 120.0° |
| O2 | C16 | N4 | 116.9° | 120.0° |
| C16 | N4 | C13 | 121.5° | 120.6° |
| C16 | N4 | C14 | 122.7° | 120.6° |
| C9 | C8 | N3 | 103.0° | 104.8° |
| C8 | C9 | C10 | 103.9° | 101.6° |
| C8 | C9 | H35 | 110.9° | 111.0° |
| C8 | C9 | H36 | 110.8° | 111.0° |
| C9 | C8 | H37 | 111.0° | 110.4° |
| C9 | C8 | H38 | 111.1° | 110.3° |
| C8 | N3 | C7 | 110.8° | 111.0° |
| C8 | N3 | C11 | 104.5° | 108.6° |
| N3 | C8 | H37 | 111.1° | 110.4° |
| N3 | C8 | H38 | 111.1° | 110.4° |
| C21 | C22 | H10 | 120.2° | 120.0° |
| C22 | C21 | H11 | 119.8° | 120.1° |
| C9 | C10 | C11 | 105.5° | 103.0° |
| C9 | C10 | H33 | 110.5° | 110.7° |
| C9 | C10 | H34 | 110.5° | 110.8° |
| C10 | C9 | H35 | 110.8° | 111.0° |
| C10 | C9 | H36 | 110.9° | 111.0° |
| N4 | C13 | C12 | 113.8° | 108.8° |
| C13 | N4 | C14 | 115.7° | 118.8° |
| N4 | C13 | H13 | 108.4° | 109.6° |
| N4 | C13 | H14 | 108.4° | 109.6° |
| C13 | C12 | C5 | 113.1° | 109.3° |
| C12 | C13 | H13 | 108.4° | 109.6° |
| C12 | C13 | H14 | 108.4° | 109.6° |
| C13 | C12 | H15 | 108.6° | 109.5° |
| C13 | C12 | H16 | 108.5° | 109.5° |
| N4 | C14 | C15 | 115.1° | 108.8° |
| N4 | C14 | H17 | 108.0° | 109.6° |
| N4 | C14 | H18 | 108.0° | 109.6° |
| C10 | C11 | N3 | 104.6° | 107.2° |
| C10 | C11 | H31 | 110.7° | 109.9° |
| C10 | C11 | H32 | 110.7° | 110.0° |
| C11 | C10 | H33 | 110.5° | 110.7° |
| C11 | C10 | H34 | 110.5° | 110.7° |
| N3 | C7 | C6 | 117.4° | 109.5° |
| C7 | N3 | C11 | 113.6° | 111.0° |
| N3 | C7 | H28 | 107.4° | 109.5° |
| N3 | C7 | H29 | 107.5° | 109.5° |
| C7 | C6 | N2 | 111.1° | 109.5° |
| C7 | C6 | H26 | 109.0° | 109.5° |
| C7 | C6 | H27 | 109.1° | 109.5° |
| C6 | C7 | H28 | 107.4° | 109.5° |
| C6 | C7 | H29 | 107.5° | 109.5° |
| N3 | C11 | H31 | 110.6° | 109.9° |
| N3 | C11 | H32 | 110.7° | 109.8° |
| C12 | C5 | C15 | 108.5° | 109.7° |
| C12 | C5 | O1 | 107.8° | 109.4° |
| C12 | C5 | C4 | 112.2° | 109.5° |
| C5 | C12 | H15 | 108.5° | 109.5° |
| C5 | C12 | H16 | 108.6° | 109.5° |
| O | C3 | C | 119.3° | 120.6° |
| O | C3 | N1 | 121.6° | 120.7° |
| C14 | C15 | C5 | 112.0° | 109.3° |
| C15 | C14 | H17 | 108.0° | 109.5° |
| C15 | C14 | H18 | 108.0° | 109.6° |
| C14 | C15 | H19 | 108.8° | 109.5° |
| C14 | C15 | H20 | 108.9° | 109.5° |
| C6 | N2 | C1 | 126.1° | 120.0° |
| C6 | N2 | H25 | 105.2° | 120.0° |
| N2 | C6 | H26 | 109.1° | 109.5° |
| N2 | C6 | H27 | 109.0° | 109.5° |
| C3 | C | C1 | 119.0° | 118.4° |
| C | C3 | N1 | 119.1° | 118.8° |
| C3 | C | H1 | 120.5° | 120.8° |
| C | C1 | N2 | 124.5° | 120.3° |
| C | C1 | N | 118.9° | 119.5° |
| C1 | C | H1 | 120.5° | 120.7° |
| C3 | N1 | C4 | 121.9° | 119.9° |
| C3 | N1 | C2 | 120.0° | 120.3° |
| C15 | C5 | O1 | 107.4° | 109.2° |
| C15 | C5 | C4 | 110.6° | 109.6° |
| C5 | C15 | H19 | 108.8° | 109.6° |
| C5 | C15 | H20 | 108.8° | 109.4° |
| O1 | C5 | C4 | 110.0° | 109.4° |
| C5 | O1 | H21 | 109.5° | 114.0° |
| C5 | C4 | N1 | 107.8° | 109.5° |
| C5 | C4 | H22 | 109.9° | 109.4° |
| C5 | C4 | H23 | 109.9° | 109.4° |
| N2 | C1 | N | 116.4° | 120.2° |
| C1 | N2 | H25 | 105.2° | 120.0° |
| C1 | N | C2 | 120.5° | 121.3° |
| C4 | N1 | C2 | 118.0° | 119.8° |
| N1 | C4 | H22 | 109.9° | 109.5° |
| N1 | C4 | H23 | 109.9° | 109.5° |
| N1 | C2 | N | 122.4° | 121.7° |
| N1 | C2 | H24 | 118.7° | 119.2° |
| N | C2 | H24 | 118.8° | 119.1° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H5 | C25 | H6 | 109.5° | 109.4° |
| H5 | C25 | H7 | 109.5° | 109.5° |
| H6 | C25 | H7 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.7° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.7° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H22 | C4 | H23 | 109.4° | 109.5° |
| H26 | C6 | H27 | 109.4° | 109.4° |
| H28 | C7 | H29 | 109.5° | 109.5° |
| H31 | C11 | H32 | 109.5° | 109.9° |
| H33 | C10 | H34 | 109.5° | 110.6° |
| H35 | C9 | H36 | 109.5° | 110.9° |
| H37 | C8 | H38 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C18 | C17 | C19 | 124.6° | 120.0° |
| C25 | C18 | C17 | H4 | 116.9° | 120.0° |
| C25 | C18 | C19 | H4 | 117.9° | 120.0° |
| C25 | C18 | C17 | C16 | 178.1° | 65.0° |
| C25 | C18 | C19 | C24 | 45.0° | 60.3° |
| C25 | C18 | C19 | C20 | 135.3° | 120.1° |
| C25 | C18 | C17 | H2 | 61.2° | 55.0° |
| C25 | C18 | C17 | H3 | 57.4° | 175.0° |
| C18 | C25 | H5 | H6 | 120.0° | 120.0° |
| C18 | C25 | H5 | H7 | 120.0° | 120.0° |
| C18 | C25 | H6 | H7 | 120.0° | 120.0° |
| C17 | C18 | C19 | H4 | 118.4° | 120.0° |
| C18 | C17 | C16 | H2 | 120.7° | 120.0° |
| C18 | C17 | C16 | H3 | 120.7° | 120.0° |
| C17 | C18 | C19 | C24 | 78.6° | 59.7° |
| C17 | C18 | C19 | C20 | 101.0° | 120.0° |
| C18 | C17 | C16 | O2 | 86.2° | 0.0° |
| C18 | C17 | C16 | N4 | 95.6° | 180.0° |
| C18 | C17 | H2 | H3 | 117.9° | 119.9° |
| C17 | C18 | C25 | H5 | 180.0° | 180.0° |
| C17 | C18 | C25 | H6 | 60.0° | 60.0° |
| C17 | C18 | C25 | H7 | 60.0° | 60.0° |
| C19 | C18 | C17 | C16 | 57.3° | 175.0° |
| C18 | C19 | C24 | C20 | 179.7° | 179.7° |
| C18 | C19 | C24 | C23 | 179.7° | 180.0° |
| C18 | C19 | C20 | C21 | 179.8° | 179.8° |
| C19 | C18 | C17 | H2 | 63.4° | 65.0° |
| C19 | C18 | C17 | H3 | 178.0° | 55.0° |
| C19 | C18 | C25 | H5 | 55.0° | 60.0° |
| C19 | C18 | C25 | H6 | 175.0° | 180.0° |
| C19 | C18 | C25 | H7 | 65.0° | 60.0° |
| C18 | C19 | C24 | H8 | 0.3° | 0.0° |
| C18 | C19 | C20 | H12 | 0.2° | 0.1° |
| C17 | C16 | O2 | N4 | 178.3° | 180.0° |
| C17 | C16 | N4 | C13 | 24.3° | 0.3° |
| C17 | C16 | N4 | C14 | 159.5° | 180.0° |
| C16 | C17 | H2 | H3 | 117.9° | 120.1° |
| C16 | C17 | C18 | H4 | 61.2° | 55.0° |
| C19 | C24 | C23 | H8 | 180.0° | 180.0° |
| C19 | C24 | C23 | C22 | 0.5° | 0.0° |
| C24 | C19 | C20 | C21 | 0.1° | 0.6° |
| C24 | C19 | C18 | H4 | 162.9° | 179.7° |
| C19 | C24 | C23 | H9 | 179.5° | 179.9° |
| C24 | C19 | C20 | H12 | 179.9° | 179.7° |
| C23 | C24 | C19 | C20 | 0.7° | 0.3° |
| C24 | C23 | C22 | H9 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.2° | 0.0° |
| C24 | C23 | C22 | H10 | 179.8° | 180.0° |
| C19 | C20 | C21 | H12 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.7° | 0.5° |
| C20 | C19 | C18 | H4 | 17.4° | 0.1° |
| C20 | C19 | C24 | H8 | 179.3° | 179.7° |
| C19 | C20 | C21 | H11 | 179.3° | 179.7° |
| C23 | C22 | C21 | C20 | 0.8° | 0.2° |
| C23 | C22 | C21 | H10 | 180.0° | 180.0° |
| C22 | C23 | C24 | H8 | 179.5° | 180.0° |
| C23 | C22 | C21 | H11 | 179.2° | 180.0° |
| C20 | C21 | C22 | H11 | 180.0° | 179.8° |
| C20 | C21 | C22 | H10 | 179.2° | 179.8° |
| O2 | C16 | N4 | C13 | 153.8° | 179.7° |
| O2 | C16 | N4 | C14 | 22.3° | 0.0° |
| O2 | C16 | C17 | H2 | 153.1° | 120.0° |
| O2 | C16 | C17 | H3 | 34.4° | 120.0° |
| C16 | N4 | C13 | C14 | 176.4° | 179.7° |
| C16 | N4 | C13 | C12 | 141.1° | 126.4° |
| C16 | N4 | C14 | C15 | 141.5° | 126.4° |
| N4 | C16 | C17 | H2 | 25.1° | 60.0° |
| N4 | C16 | C17 | H3 | 143.7° | 60.0° |
| C16 | N4 | C13 | H13 | 20.4° | 6.6° |
| C16 | N4 | C13 | H14 | 98.3° | 113.8° |
| C16 | N4 | C14 | H17 | 97.7° | 113.9° |
| C16 | N4 | C14 | H18 | 20.7° | 6.6° |
| C9 | C8 | N3 | H37 | 119.0° | 118.9° |
| C9 | C8 | N3 | H38 | 119.0° | 118.8° |
| C8 | C9 | C10 | H35 | 119.1° | 118.1° |
| C8 | C9 | C10 | H36 | 119.1° | 118.1° |
| C8 | C9 | C10 | C11 | 11.5° | 35.7° |
| C9 | C8 | N3 | C7 | 166.7° | 146.4° |
| C9 | C8 | N3 | C11 | 44.0° | 24.1° |
| C8 | C9 | C10 | H33 | 107.8° | 154.1° |
| C8 | C9 | C10 | H34 | 130.9° | 82.8° |
| C8 | C9 | H35 | H36 | 122.6° | 123.9° |
| C9 | C8 | H37 | H38 | 123.0° | 122.3° |
| N3 | C8 | C9 | C10 | 33.6° | 37.1° |
| C8 | N3 | C11 | C10 | 36.5° | 1.0° |
| C8 | N3 | C7 | C11 | 117.3° | 120.8° |
| C8 | N3 | C7 | C6 | 172.7° | 69.2° |
| C8 | N3 | C7 | H28 | 51.6° | 170.8° |
| C8 | N3 | C7 | H29 | 66.1° | 50.8° |
| C8 | N3 | C11 | H31 | 82.8° | 120.4° |
| C8 | N3 | C11 | H32 | 155.7° | 118.6° |
| N3 | C8 | C9 | H35 | 152.7° | 81.0° |
| N3 | C8 | C9 | H36 | 85.5° | 155.2° |
| N3 | C8 | H37 | H38 | 123.0° | 122.3° |
| C21 | C22 | C23 | H9 | 179.8° | 180.0° |
| C22 | C21 | C20 | H12 | 179.4° | 179.8° |
| C9 | C10 | C11 | H33 | 119.4° | 118.4° |
| C9 | C10 | C11 | H34 | 119.4° | 118.6° |
| C9 | C10 | C11 | N3 | 14.6° | 22.3° |
| C9 | C10 | C11 | H31 | 104.6° | 97.1° |
| C9 | C10 | C11 | H32 | 133.9° | 141.8° |
| C9 | C10 | H33 | H34 | 121.8° | 123.3° |
| C10 | C9 | H35 | H36 | 122.6° | 123.9° |
| C10 | C9 | C8 | H37 | 152.6° | 81.8° |
| C10 | C9 | C8 | H38 | 85.4° | 155.9° |
| N4 | C13 | C12 | H13 | 120.6° | 119.8° |
| N4 | C13 | C12 | H14 | 120.6° | 119.8° |
| N4 | C13 | C12 | C5 | 50.6° | 54.6° |
| C13 | N4 | C14 | C15 | 42.2° | 53.9° |
| N4 | C13 | H13 | H14 | 118.0° | 120.4° |
| N4 | C13 | C12 | H15 | 69.9° | 65.3° |
| N4 | C13 | C12 | H16 | 171.1° | 174.6° |
| C13 | N4 | C14 | H17 | 78.7° | 65.8° |
| C13 | N4 | C14 | H18 | 163.0° | 173.7° |
| C12 | C13 | N4 | C14 | 42.5° | 53.9° |
| C13 | C12 | C5 | H15 | 120.5° | 120.0° |
| C13 | C12 | C5 | H16 | 120.5° | 119.9° |
| C13 | C12 | C5 | C15 | 56.5° | 61.1° |
| C13 | C12 | C5 | O1 | 59.6° | 58.7° |
| C13 | C12 | C5 | C4 | 179.1° | 178.6° |
| C12 | C13 | H13 | H14 | 118.0° | 120.3° |
| C13 | C12 | H15 | H16 | 118.4° | 120.1° |
| N4 | C14 | C15 | H17 | 120.8° | 119.8° |
| N4 | C14 | C15 | H18 | 120.8° | 119.8° |
| N4 | C14 | C15 | C5 | 49.1° | 54.5° |
| C14 | N4 | C13 | H13 | 163.1° | 173.7° |
| C14 | N4 | C13 | H14 | 78.1° | 65.9° |
| N4 | C14 | H17 | H18 | 117.4° | 120.3° |
| N4 | C14 | C15 | H19 | 169.5° | 174.6° |
| N4 | C14 | C15 | H20 | 71.3° | 65.4° |
| C10 | C11 | N3 | C7 | 157.4° | 123.3° |
| C10 | C11 | N3 | H31 | 119.2° | 119.4° |
| C10 | C11 | N3 | H32 | 119.3° | 119.6° |
| C10 | C11 | H31 | H32 | 122.2° | 121.2° |
| C11 | C10 | H33 | H34 | 121.9° | 123.1° |
| C11 | C10 | C9 | H35 | 130.7° | 82.4° |
| C11 | C10 | C9 | H36 | 107.5° | 153.7° |
| N3 | C7 | C6 | H28 | 121.1° | 120.0° |
| N3 | C7 | C6 | H29 | 121.2° | 120.0° |
| N3 | C7 | C6 | N2 | 51.8° | 180.0° |
| N3 | C7 | C6 | H26 | 172.1° | 59.9° |
| N3 | C7 | C6 | H27 | 68.5° | 60.0° |
| N3 | C7 | H28 | H29 | 116.4° | 120.0° |
| C7 | N3 | C11 | H31 | 38.1° | 117.3° |
| C7 | N3 | C11 | H32 | 83.4° | 3.7° |
| C7 | N3 | C8 | H37 | 74.3° | 27.5° |
| C7 | N3 | C8 | H38 | 47.7° | 94.8° |
| C6 | C7 | N3 | C11 | 70.0° | 170.0° |
| C7 | C6 | N2 | H26 | 120.3° | 120.1° |
| C7 | C6 | N2 | H27 | 120.3° | 120.0° |
| C7 | C6 | N2 | C1 | 59.5° | 180.0° |
| C7 | C6 | N2 | H25 | 178.3° | 0.0° |
| C7 | C6 | H26 | H27 | 119.2° | 120.0° |
| C6 | C7 | H28 | H29 | 116.4° | 120.0° |
| C11 | N3 | C7 | H28 | 168.9° | 50.0° |
| C11 | N3 | C7 | H29 | 51.2° | 70.0° |
| N3 | C11 | H31 | H32 | 122.2° | 121.0° |
| N3 | C11 | C10 | H33 | 134.0° | 140.7° |
| N3 | C11 | C10 | H34 | 104.7° | 96.2° |
| C11 | N3 | C8 | H37 | 163.0° | 94.8° |
| C11 | N3 | C8 | H38 | 75.0° | 142.9° |
| C12 | C5 | C15 | C14 | 54.9° | 61.0° |
| C12 | C5 | C15 | O1 | 116.3° | 119.9° |
| C12 | C5 | C15 | C4 | 123.5° | 120.2° |
| C12 | C5 | O1 | C4 | 122.7° | 120.0° |
| C12 | C5 | C4 | N1 | 61.3° | 175.0° |
| C5 | C12 | C13 | H13 | 171.2° | 174.4° |
| C5 | C12 | C13 | H14 | 70.0° | 65.2° |
| C5 | C12 | H15 | H16 | 118.4° | 120.1° |
| C12 | C5 | C15 | H19 | 175.2° | 178.9° |
| C12 | C5 | C15 | H20 | 65.5° | 58.8° |
| C12 | C5 | O1 | H21 | 180.0° | 180.0° |
| C12 | C5 | C4 | H22 | 178.9° | 55.0° |
| C12 | C5 | C4 | H23 | 58.4° | 65.0° |
| O | C3 | C | N1 | 179.3° | 180.0° |
| O | C3 | C | C1 | 179.3° | 180.0° |
| O | C3 | N1 | C4 | 3.6° | 0.0° |
| O | C3 | N1 | C2 | 179.6° | 180.0° |
| O | C3 | C | H1 | 0.7° | 0.0° |
| C14 | C15 | C5 | H19 | 120.4° | 120.1° |
| C14 | C15 | C5 | H20 | 120.4° | 119.8° |
| C14 | C15 | C5 | O1 | 61.5° | 58.9° |
| C14 | C15 | C5 | C4 | 178.4° | 178.8° |
| C15 | C14 | H17 | H18 | 117.4° | 120.4° |
| C14 | C15 | H19 | H20 | 118.9° | 120.0° |
| C6 | N2 | C1 | C | 12.7° | 180.0° |
| C6 | N2 | C1 | H25 | 122.2° | 180.0° |
| C6 | N2 | C1 | N | 163.2° | 0.0° |
| N2 | C6 | H26 | H27 | 119.2° | 120.0° |
| N2 | C6 | C7 | H28 | 69.3° | 60.0° |
| N2 | C6 | C7 | H29 | 172.9° | 60.0° |
| C3 | C | C1 | H1 | 180.0° | 180.0° |
| C3 | C | C1 | N2 | 176.9° | 180.0° |
| C3 | C | C1 | N | 1.0° | 0.0° |
| C | C3 | N1 | C4 | 177.1° | 180.0° |
| C | C3 | N1 | C2 | 1.2° | 0.0° |
| C1 | C | C3 | N1 | 0.0° | 0.0° |
| C | C1 | N2 | N | 176.0° | 180.0° |
| C | C1 | N | C2 | 0.9° | 0.0° |
| C | C1 | N2 | H25 | 109.5° | 0.1° |
| C3 | N1 | C4 | C5 | 90.9° | 90.0° |
| C3 | N1 | C4 | C2 | 176.0° | 180.0° |
| C3 | N1 | C2 | N | 1.3° | 0.1° |
| N1 | C3 | C | H1 | 180.0° | 180.0° |
| C3 | N1 | C4 | H22 | 149.4° | 150.0° |
| C3 | N1 | C4 | H23 | 28.9° | 30.0° |
| C3 | N1 | C2 | H24 | 178.7° | 180.0° |
| C15 | C5 | O1 | C4 | 120.5° | 120.0° |
| C15 | C5 | C4 | N1 | 177.3° | 54.7° |
| C15 | C5 | C12 | H15 | 64.1° | 58.9° |
| C15 | C5 | C12 | H16 | 177.0° | 179.0° |
| C5 | C15 | C14 | H17 | 71.7° | 65.3° |
| C5 | C15 | C14 | H18 | 169.9° | 174.3° |
| C5 | C15 | H19 | H20 | 118.8° | 120.1° |
| C15 | C5 | O1 | H21 | 63.2° | 59.9° |
| C15 | C5 | C4 | H22 | 57.6° | 65.4° |
| C15 | C5 | C4 | H23 | 62.9° | 174.6° |
| O1 | C5 | C4 | N1 | 58.8° | 65.0° |
| O1 | C5 | C12 | H15 | 179.9° | 178.6° |
| O1 | C5 | C12 | H16 | 60.9° | 61.3° |
| O1 | C5 | C15 | H19 | 58.9° | 61.2° |
| O1 | C5 | C15 | H20 | 178.1° | 178.7° |
| O1 | C5 | C4 | H22 | 61.0° | 174.9° |
| O1 | C5 | C4 | H23 | 178.5° | 55.0° |
| C5 | C4 | N1 | H22 | 119.8° | 120.0° |
| C5 | C4 | N1 | H23 | 119.8° | 120.0° |
| C5 | C4 | N1 | C2 | 85.1° | 90.0° |
| C4 | C5 | C12 | H15 | 58.5° | 61.4° |
| C4 | C5 | C12 | H16 | 60.4° | 58.7° |
| C4 | C5 | C15 | H19 | 61.2° | 58.7° |
| C4 | C5 | C15 | H20 | 58.0° | 61.4° |
| C4 | C5 | O1 | H21 | 57.3° | 60.0° |
| C5 | C4 | H22 | H23 | 120.8° | 119.9° |
| N2 | C1 | N | C2 | 177.1° | 180.0° |
| N2 | C1 | C | H1 | 3.1° | 0.1° |
| C1 | N2 | C6 | H26 | 60.8° | 60.0° |
| C1 | N2 | C6 | H27 | 179.7° | 60.0° |
| C1 | N | C2 | N1 | 0.3° | 0.0° |
| N | C1 | C | H1 | 179.0° | 180.0° |
| C1 | N | C2 | H24 | 179.7° | 180.0° |
| N | C1 | N2 | H25 | 74.5° | 180.0° |
| C4 | N1 | C2 | N | 177.4° | 180.0° |
| N1 | C4 | H22 | H23 | 120.7° | 120.1° |
| C4 | N1 | C2 | H24 | 2.6° | 0.0° |
| N1 | C2 | N | H24 | 180.0° | 180.0° |
| C2 | N1 | C4 | H22 | 34.6° | 30.0° |
| C2 | N1 | C4 | H23 | 155.1° | 150.0° |
| H2 | C17 | C18 | H4 | 178.1° | 175.0° |
| H3 | C17 | C18 | H4 | 59.5° | 65.0° |
| H4 | C18 | C25 | H5 | 63.0° | 60.0° |
| H4 | C18 | C25 | H6 | 57.0° | 60.0° |
| H4 | C18 | C25 | H7 | 177.0° | NaN° |
| H5 | C25 | H6 | H7 | 120.0° | 120.0° |
| H8 | C24 | C23 | H9 | 0.5° | 0.1° |
| H9 | C23 | C22 | H10 | 0.2° | 0.0° |
| H10 | C22 | C21 | H11 | 0.8° | 0.0° |
| H11 | C21 | C20 | H12 | 0.6° | 0.0° |
| H13 | C13 | C12 | H15 | 50.7° | 54.5° |
| H13 | C13 | C12 | H16 | 68.3° | 65.6° |
| H14 | C13 | C12 | H15 | 169.5° | 174.9° |
| H14 | C13 | C12 | H16 | 50.5° | 54.8° |
| H17 | C14 | C15 | H19 | 48.6° | 54.8° |
| H17 | C14 | C15 | H20 | 167.9° | 174.9° |
| H18 | C14 | C15 | H19 | 69.7° | 65.6° |
| H18 | C14 | C15 | H20 | 49.5° | 54.5° |
| H25 | N2 | C6 | H26 | 61.4° | 120.1° |
| H25 | N2 | C6 | H27 | 58.1° | 119.9° |
| H26 | C6 | C7 | H28 | 51.0° | 179.9° |
| H26 | C6 | C7 | H29 | 66.8° | 60.0° |
| H27 | C6 | C7 | H28 | 170.4° | 60.0° |
| H27 | C6 | C7 | H29 | 52.7° | 180.0° |
| H31 | C11 | C10 | H33 | 14.8° | 21.3° |
| H31 | C11 | C10 | H34 | 136.1° | 144.3° |
| H32 | C11 | C10 | H33 | 106.7° | 99.9° |
| H32 | C11 | C10 | H34 | 14.5° | 23.2° |
| H33 | C10 | C9 | H35 | 11.3° | 36.0° |
| H33 | C10 | C9 | H36 | 133.1° | 87.8° |
| H34 | C10 | C9 | H35 | 109.9° | 159.1° |
| H34 | C10 | C9 | H36 | 11.8° | 35.3° |
| H35 | C9 | C8 | H37 | 88.3° | 160.1° |
| H35 | C9 | C8 | H38 | 33.8° | 37.8° |
| H36 | C9 | C8 | H37 | 33.5° | 36.3° |
| H36 | C9 | C8 | H38 | 155.5° | 86.0° |
