JQK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C8 | sing | 1.51Å | 1.53Å | |
| C11 | C9 | sing | 1.51Å | 1.53Å | |
| C17 | C15 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C15 | C18 | sing | 1.53Å | 1.54Å | |
| C15 | C7 | sing | 1.50Å | 1.51Å | |
| C15 | C16 | sing | 1.54Å | 1.52Å | |
| C7 | C5 | sing | 1.39Å | 1.48Å | Aromatic |
| C10 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C14 | sing | 1.53Å | 1.50Å | |
| C5 | C6 | doub | 1.40Å | 1.37Å | Aromatic |
| C5 | N3 | sing | 1.42Å | 1.41Å | |
| C6 | N4 | sing | 1.40Å | 1.47Å | |
| C14 | N3 | sing | 1.46Å | 1.49Å | |
| C14 | C22 | sing | 1.51Å | 1.58Å | |
| N3 | C3 | sing | 1.39Å | 1.41Å | |
| O7 | C19 | sing | 1.43Å | 1.48Å | |
| N4 | C13 | sing | 1.46Å | 1.39Å | |
| N4 | C4 | sing | 1.39Å | 1.35Å | |
| C22 | C23 | sing | 1.53Å | 1.39Å | |
| C13 | C19 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | doub | 1.40Å | 1.38Å | |
| C3 | C2 | sing | 1.40Å | 1.41Å | |
| C19 | C20 | sing | 1.53Å | 1.49Å | |
| C4 | N2 | sing | 1.33Å | 1.33Å | |
| O2 | C2 | doub | 1.22Å | 1.24Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C20 | O8 | sing | 1.43Å | 1.49Å | |
| C2 | N1 | sing | 1.35Å | 1.41Å | |
| C21 | O9 | sing | 1.43Å | 1.43Å | |
| C21 | C30 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.51Å | 1.40Å | |
| C25 | C24 | doub | 1.38Å | 1.33Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.37Å | Aromatic |
| N2 | C1 | doub | 1.31Å | 1.31Å | |
| O3 | C30 | sing | 1.43Å | 1.42Å | |
| O3 | P1 | sing | 1.61Å | 1.62Å | |
| C24 | C29 | sing | 1.38Å | 1.45Å | Aromatic |
| N1 | C1 | sing | 1.36Å | 1.38Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | O1 | sing | 1.35Å | 1.33Å | |
| O6 | P1 | doub | 1.48Å | 1.54Å | |
| P1 | O4 | sing | 1.61Å | 1.51Å | |
| P1 | O5 | sing | 1.61Å | 1.48Å | |
| C29 | C28 | doub | 1.38Å | 1.35Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| O5 | H2 | sing | 0.97Å | 0.95Å | |
| C30 | H3 | sing | 1.09Å | 1.10Å | |
| C30 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| O9 | H6 | sing | 0.97Å | 0.95Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| O8 | H8 | sing | 0.97Å | 0.95Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| O7 | H10 | sing | 0.97Å | 0.95Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.11Å | 1.10Å | |
| N1 | H30 | sing | 0.97Å | 1.00Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.08Å | 1.08Å | |
| C28 | H36 | sing | 1.08Å | 1.08Å | |
| C27 | H37 | sing | 1.08Å | 1.08Å | |
| C26 | H38 | sing | 1.08Å | 1.08Å | |
| C25 | H39 | sing | 1.08Å | 1.08Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C8 | C9 | 114.5° | 115.1° |
| C12 | C8 | C7 | 122.5° | 124.1° |
| C8 | C12 | H18 | 109.5° | 109.4° |
| C8 | C12 | H19 | 109.5° | 109.5° |
| C8 | C12 | H20 | 109.5° | 109.5° |
| C11 | C9 | C8 | 126.1° | 118.9° |
| C11 | C9 | C10 | 115.9° | 119.6° |
| C9 | C11 | H15 | 109.5° | 109.5° |
| C9 | C11 | H16 | 109.4° | 109.4° |
| C9 | C11 | H17 | 109.5° | 109.5° |
| C17 | C15 | C18 | 102.4° | 109.4° |
| C17 | C15 | C7 | 116.3° | 110.2° |
| C17 | C15 | C16 | 106.4° | 106.4° |
| C15 | C17 | H21 | 109.5° | 109.5° |
| C15 | C17 | H22 | 109.5° | 109.5° |
| C15 | C17 | H23 | 109.5° | 109.5° |
| C9 | C8 | C7 | 123.0° | 120.8° |
| C8 | C9 | C10 | 118.0° | 121.4° |
| C8 | C7 | C15 | 131.4° | 122.1° |
| C8 | C7 | C5 | 116.5° | 117.1° |
| C9 | C10 | C6 | 121.8° | 119.0° |
| C9 | C10 | H14 | 119.1° | 119.3° |
| C18 | C15 | C7 | 110.1° | 110.7° |
| C18 | C15 | C16 | 113.8° | 106.9° |
| C15 | C18 | H24 | 109.5° | 109.4° |
| C15 | C18 | H25 | 109.5° | 109.4° |
| C15 | C18 | H26 | 109.4° | 109.5° |
| C7 | C15 | C16 | 108.0° | 113.1° |
| C15 | C7 | C5 | 111.8° | 120.8° |
| C15 | C16 | C14 | 114.0° | 109.1° |
| C15 | C16 | H27 | 108.3° | 109.1° |
| C15 | C16 | H28 | 108.3° | 109.2° |
| C7 | C5 | C6 | 121.4° | 122.6° |
| C7 | C5 | N3 | 117.1° | 120.6° |
| C10 | C6 | C5 | 118.6° | 119.2° |
| C10 | C6 | N4 | 120.6° | 121.5° |
| C6 | C10 | H14 | 119.1° | 121.7° |
| C16 | C14 | N3 | 111.2° | 105.5° |
| C16 | C14 | C22 | 109.2° | 112.2° |
| C14 | C16 | H27 | 108.3° | 109.9° |
| C14 | C16 | H28 | 108.3° | 109.7° |
| C16 | C14 | H29 | 111.6° | 108.0° |
| C6 | C5 | N3 | 121.2° | 116.7° |
| C5 | C6 | N4 | 120.7° | 119.3° |
| C5 | N3 | C14 | 119.2° | 113.7° |
| C5 | N3 | C3 | 115.4° | 118.6° |
| C6 | N4 | C13 | 119.9° | 121.4° |
| C6 | N4 | C4 | 114.5° | 119.3° |
| N3 | C14 | C22 | 102.3° | 115.1° |
| C14 | N3 | C3 | 118.1° | 127.7° |
| N3 | C14 | H29 | 111.8° | 107.7° |
| C14 | C22 | C23 | 111.3° | 109.5° |
| C22 | C14 | H29 | 110.4° | 108.1° |
| C14 | C22 | H31 | 109.0° | 109.5° |
| C14 | C22 | H32 | 109.0° | 109.4° |
| N3 | C3 | C4 | 120.9° | 117.6° |
| N3 | C3 | C2 | 117.8° | 125.3° |
| O7 | C19 | C13 | 104.9° | 109.5° |
| O7 | C19 | C20 | 105.3° | 109.5° |
| O7 | C19 | H9 | 111.8° | 109.4° |
| C19 | O7 | H10 | 109.5° | 114.0° |
| C13 | N4 | C4 | 125.7° | 119.2° |
| N4 | C13 | C19 | 117.0° | 109.5° |
| N4 | C13 | H11 | 107.6° | 109.5° |
| N4 | C13 | H12 | 107.6° | 109.4° |
| N4 | C4 | C3 | 123.4° | 119.0° |
| N4 | C4 | N2 | 112.4° | 120.6° |
| C22 | C23 | C24 | 128.9° | 109.5° |
| C23 | C22 | H31 | 109.0° | 109.4° |
| C23 | C22 | H32 | 109.0° | 109.5° |
| C22 | C23 | H33 | 104.4° | 109.5° |
| C22 | C23 | H34 | 104.4° | 109.5° |
| C13 | C19 | C20 | 111.7° | 109.5° |
| C13 | C19 | H9 | 111.2° | 109.5° |
| C19 | C13 | H11 | 107.6° | 109.4° |
| C19 | C13 | H12 | 107.5° | 109.5° |
| C4 | C3 | C2 | 121.2° | 116.6° |
| C3 | C4 | N2 | 124.0° | 120.3° |
| C3 | C2 | O2 | 128.6° | 122.3° |
| C3 | C2 | N1 | 112.5° | 119.1° |
| C19 | C20 | C21 | 115.1° | 109.5° |
| C19 | C20 | O8 | 104.8° | 109.5° |
| C19 | C20 | H7 | 110.0° | 109.4° |
| C20 | C19 | H9 | 111.6° | 109.5° |
| C4 | N2 | C1 | 115.0° | 121.0° |
| O2 | C2 | N1 | 118.8° | 118.4° |
| C21 | C20 | O8 | 107.3° | 109.5° |
| C20 | C21 | O9 | 108.6° | 109.5° |
| C20 | C21 | C30 | 112.2° | 109.5° |
| C20 | C21 | H5 | 107.8° | 109.4° |
| C21 | C20 | H7 | 109.2° | 109.5° |
| O8 | C20 | H7 | 110.1° | 109.4° |
| C20 | O8 | H8 | 109.5° | 114.0° |
| C2 | N1 | C1 | 121.1° | 120.3° |
| C2 | N1 | H30 | 119.5° | 119.7° |
| O9 | C21 | C30 | 110.7° | 109.5° |
| O9 | C21 | H5 | 109.5° | 109.5° |
| C21 | O9 | H6 | 109.5° | 114.0° |
| C21 | C30 | O3 | 105.2° | 109.4° |
| C21 | C30 | H3 | 110.6° | 109.5° |
| C21 | C30 | H4 | 110.5° | 109.5° |
| C30 | C21 | H5 | 108.0° | 109.5° |
| C23 | C24 | C25 | 123.6° | 120.0° |
| C23 | C24 | C29 | 117.6° | 120.0° |
| C24 | C23 | H33 | 104.4° | 109.4° |
| C24 | C23 | H34 | 104.4° | 109.4° |
| C24 | C25 | C26 | 125.8° | 120.0° |
| C25 | C24 | C29 | 118.1° | 120.0° |
| C24 | C25 | H39 | 117.1° | 120.0° |
| C25 | C26 | C27 | 116.1° | 120.0° |
| C25 | C26 | H38 | 122.0° | 119.9° |
| C26 | C25 | H39 | 117.1° | 120.0° |
| N2 | C1 | N1 | 125.7° | 121.0° |
| N2 | C1 | O1 | 120.0° | 119.4° |
| C30 | O3 | P1 | 117.0° | 123.0° |
| O3 | C30 | H3 | 110.5° | 109.5° |
| O3 | C30 | H4 | 110.6° | 109.5° |
| O3 | P1 | O6 | 101.7° | 109.4° |
| O3 | P1 | O4 | 106.1° | 109.5° |
| O3 | P1 | O5 | 110.0° | 109.5° |
| C24 | C29 | C28 | 116.8° | 120.0° |
| C24 | C29 | H35 | 121.6° | 120.0° |
| N1 | C1 | O1 | 113.9° | 119.6° |
| C1 | N1 | H30 | 119.4° | 120.0° |
| C26 | C27 | C28 | 119.7° | 120.0° |
| C26 | C27 | H37 | 120.1° | 119.9° |
| C27 | C26 | H38 | 122.0° | 120.1° |
| C1 | O1 | H13 | 109.5° | 114.0° |
| O6 | P1 | O4 | 108.3° | 109.4° |
| O6 | P1 | O5 | 116.6° | 109.5° |
| O4 | P1 | O5 | 113.1° | 109.5° |
| P1 | O4 | H1 | 109.5° | 113.9° |
| P1 | O5 | H2 | 109.5° | 113.9° |
| C29 | C28 | C27 | 123.3° | 120.0° |
| C28 | C29 | H35 | 121.6° | 120.0° |
| C29 | C28 | H36 | 118.3° | 120.0° |
| C27 | C28 | H36 | 118.3° | 120.0° |
| C28 | C27 | H37 | 120.2° | 120.0° |
| H3 | C30 | H4 | 109.4° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H15 | C11 | H17 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.4° | 109.5° |
| H18 | C12 | H20 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.4° |
| H21 | C17 | H22 | 109.5° | 109.4° |
| H21 | C17 | H23 | 109.4° | 109.5° |
| H22 | C17 | H23 | 109.5° | 109.4° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H24 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H27 | C16 | H28 | 109.5° | 109.8° |
| H31 | C22 | H32 | 109.5° | 109.5° |
| H33 | C23 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C8 | C9 | C11 | 3.9° | 0.1° |
| C12 | C8 | C9 | C7 | 177.6° | 179.7° |
| C12 | C8 | C9 | C10 | 175.9° | 180.0° |
| C12 | C8 | C7 | C15 | 4.0° | 1.9° |
| C12 | C8 | C7 | C5 | 176.9° | 179.0° |
| C8 | C12 | H18 | H19 | 120.0° | 120.0° |
| C8 | C12 | H18 | H20 | 120.0° | 120.0° |
| C8 | C12 | H19 | H20 | 120.0° | 120.0° |
| C11 | C9 | C8 | C10 | 179.8° | 179.9° |
| C11 | C9 | C8 | C7 | 173.6° | 179.9° |
| C11 | C9 | C10 | C6 | 172.5° | 179.9° |
| C11 | C9 | C10 | H14 | 7.5° | 0.2° |
| C9 | C11 | H15 | H16 | 120.0° | 120.0° |
| C9 | C11 | H15 | H17 | 120.0° | 120.0° |
| C9 | C11 | H16 | H17 | 120.0° | 120.0° |
| C17 | C15 | C7 | C8 | 14.8° | 60.0° |
| C17 | C15 | C18 | C7 | 124.3° | 121.6° |
| C17 | C15 | C18 | C16 | 114.4° | 114.8° |
| C17 | C15 | C7 | C16 | 119.5° | 119.0° |
| C17 | C15 | C7 | C5 | 172.0° | 119.1° |
| C17 | C15 | C16 | C14 | 174.5° | 157.4° |
| C15 | C17 | H21 | H22 | 120.0° | 120.1° |
| C15 | C17 | H21 | H23 | 120.0° | 120.0° |
| C15 | C17 | H22 | H23 | 120.0° | 120.0° |
| C17 | C15 | C18 | H24 | 180.0° | 42.5° |
| C17 | C15 | C18 | H25 | 60.0° | 77.4° |
| C17 | C15 | C18 | H26 | 60.0° | 162.5° |
| C17 | C15 | C16 | H27 | 53.8° | 82.6° |
| C17 | C15 | C16 | H28 | 64.8° | 37.4° |
| C9 | C8 | C7 | C15 | 178.6° | 178.4° |
| C9 | C8 | C7 | C5 | 5.7° | 0.7° |
| C8 | C9 | C10 | C6 | 7.6° | 0.3° |
| C8 | C9 | C10 | H14 | 172.4° | 179.7° |
| C8 | C9 | C11 | H15 | 89.9° | 83.1° |
| C8 | C9 | C11 | H16 | 150.1° | 36.9° |
| C8 | C9 | C11 | H17 | 30.1° | 156.9° |
| C9 | C8 | C12 | H18 | 89.0° | 93.1° |
| C9 | C8 | C12 | H19 | 151.0° | 146.9° |
| C9 | C8 | C12 | H20 | 31.0° | 26.9° |
| C7 | C8 | C9 | C10 | 6.6° | 0.3° |
| C8 | C7 | C15 | C18 | 101.0° | 61.1° |
| C8 | C7 | C15 | C5 | 173.2° | 179.1° |
| C8 | C7 | C15 | C16 | 134.3° | 178.9° |
| C8 | C7 | C5 | C6 | 6.0° | 1.8° |
| C8 | C7 | C5 | N3 | 179.5° | 174.4° |
| C7 | C8 | C12 | H18 | 88.6° | 87.2° |
| C7 | C8 | C12 | H19 | 31.4° | 32.8° |
| C7 | C8 | C12 | H20 | 151.4° | 152.8° |
| C9 | C10 | C6 | H14 | 180.0° | 180.0° |
| C9 | C10 | C6 | C5 | 8.1° | 0.8° |
| C9 | C10 | C6 | N4 | 173.9° | 179.2° |
| C10 | C9 | C11 | H15 | 89.9° | 96.8° |
| C10 | C9 | C11 | H16 | 30.1° | 143.2° |
| C10 | C9 | C11 | H17 | 150.1° | 23.2° |
| C18 | C15 | C7 | C16 | 124.8° | 120.0° |
| C18 | C15 | C7 | C5 | 72.2° | 119.8° |
| C18 | C15 | C16 | C14 | 62.5° | 85.8° |
| C18 | C15 | C17 | H21 | 180.0° | 53.8° |
| C18 | C15 | C17 | H22 | 60.0° | 173.8° |
| C18 | C15 | C17 | H23 | 60.0° | 66.3° |
| C15 | C18 | H24 | H25 | 120.0° | 119.9° |
| C15 | C18 | H24 | H26 | 120.0° | 120.0° |
| C15 | C18 | H25 | H26 | 119.9° | 120.0° |
| C18 | C15 | C16 | H27 | 58.1° | 34.2° |
| C18 | C15 | C16 | H28 | 176.8° | 154.2° |
| C7 | C15 | C16 | C14 | 60.0° | 36.2° |
| C15 | C7 | C5 | C6 | 179.7° | 177.3° |
| C15 | C7 | C5 | N3 | 5.2° | 6.5° |
| C7 | C15 | C17 | H21 | 60.0° | 68.1° |
| C7 | C15 | C17 | H22 | 180.0° | 51.9° |
| C7 | C15 | C17 | H23 | 60.0° | 171.9° |
| C7 | C15 | C18 | H24 | 55.7° | 79.1° |
| C7 | C15 | C18 | H25 | 64.3° | 161.0° |
| C7 | C15 | C18 | H26 | 175.8° | 41.0° |
| C7 | C15 | C16 | H27 | 179.4° | 156.3° |
| C7 | C15 | C16 | H28 | 60.7° | 83.7° |
| C16 | C15 | C7 | C5 | 52.6° | 0.2° |
| C15 | C16 | C14 | H27 | 120.7° | 119.6° |
| C15 | C16 | C14 | H28 | 120.7° | 119.6° |
| C15 | C16 | C14 | N3 | 17.9° | 66.2° |
| C15 | C16 | C14 | C22 | 130.0° | 167.7° |
| C16 | C15 | C17 | H21 | 60.3° | 168.9° |
| C16 | C15 | C17 | H22 | 59.7° | 71.1° |
| C16 | C15 | C17 | H23 | 179.7° | 48.9° |
| C16 | C15 | C18 | H24 | 65.7° | 157.3° |
| C16 | C15 | C18 | H25 | 174.3° | 37.4° |
| C16 | C15 | C18 | H26 | 54.4° | 82.6° |
| C15 | C16 | H27 | H28 | 117.9° | 119.6° |
| C15 | C16 | C14 | H29 | 107.7° | 48.7° |
| C7 | C5 | C6 | C10 | 7.2° | 1.9° |
| C7 | C5 | C6 | N3 | 174.2° | 176.4° |
| C7 | C5 | C6 | N4 | 174.8° | 179.7° |
| C7 | C5 | N3 | C14 | 40.5° | 26.2° |
| C7 | C5 | N3 | C3 | 170.0° | 154.7° |
| C10 | C6 | C5 | N4 | 178.1° | 178.5° |
| C10 | C6 | C5 | N3 | 178.6° | 174.5° |
| C10 | C6 | N4 | C13 | 16.6° | 16.3° |
| C10 | C6 | N4 | C4 | 162.7° | 162.2° |
| C16 | C14 | N3 | C5 | 32.9° | 61.8° |
| C16 | C14 | N3 | C22 | 116.4° | 124.3° |
| C16 | C14 | N3 | H29 | 125.5° | 115.1° |
| C16 | C14 | C22 | H29 | 123.0° | 119.0° |
| C16 | C14 | N3 | C3 | 178.4° | 119.1° |
| C16 | C14 | C22 | C23 | 168.0° | 178.8° |
| C14 | C16 | H27 | H28 | 118.0° | 120.8° |
| C16 | C14 | C22 | H31 | 47.8° | 58.8° |
| C16 | C14 | C22 | H32 | 71.7° | 61.2° |
| C6 | C5 | N3 | C14 | 134.0° | 150.3° |
| C6 | C5 | N3 | C3 | 15.6° | 28.9° |
| C5 | C6 | N4 | C13 | 165.4° | 162.1° |
| C5 | C6 | N4 | C4 | 15.4° | 19.4° |
| C5 | C6 | C10 | H14 | 171.9° | 179.3° |
| N3 | C5 | C6 | N4 | 0.5° | 4.0° |
| C5 | N3 | C14 | C3 | 148.7° | 179.1° |
| C5 | N3 | C14 | C22 | 83.5° | 174.0° |
| C5 | N3 | C3 | C4 | 15.2° | 30.3° |
| C5 | N3 | C3 | C2 | 160.4° | 141.9° |
| C5 | N3 | C14 | H29 | 158.4° | 53.4° |
| C6 | N4 | C13 | C4 | 179.1° | 178.4° |
| C6 | N4 | C13 | C19 | 111.1° | 88.5° |
| C6 | N4 | C4 | C3 | 16.2° | 18.2° |
| C6 | N4 | C4 | N2 | 168.3° | 162.8° |
| C6 | N4 | C13 | H11 | 127.8° | 151.6° |
| C6 | N4 | C13 | H12 | 10.0° | 31.5° |
| N4 | C6 | C10 | H14 | 6.1° | 0.8° |
| N3 | C14 | C22 | H29 | 119.1° | 120.4° |
| N3 | C14 | C22 | C23 | 74.1° | 60.6° |
| C14 | N3 | C3 | C4 | 134.7° | 148.7° |
| C14 | N3 | C3 | C2 | 49.7° | 39.1° |
| N3 | C14 | C16 | H27 | 138.5° | 174.2° |
| N3 | C14 | C16 | H28 | 102.8° | 53.4° |
| N3 | C14 | C22 | H31 | 165.6° | 179.4° |
| N3 | C14 | C22 | H32 | 46.2° | 59.4° |
| C22 | C14 | N3 | C3 | 65.2° | 5.1° |
| C14 | C22 | C23 | H31 | 120.2° | 120.0° |
| C14 | C22 | C23 | H32 | 120.3° | 120.0° |
| C14 | C22 | C23 | C24 | 134.2° | 180.0° |
| C22 | C14 | C16 | H27 | 109.4° | 48.1° |
| C22 | C14 | C16 | H28 | 9.3° | 72.7° |
| C14 | C22 | H31 | H32 | 119.2° | 120.0° |
| C14 | C22 | C23 | H33 | 11.6° | 60.0° |
| C14 | C22 | C23 | H34 | 103.3° | 60.0° |
| N3 | C3 | C4 | N4 | 1.2° | 6.5° |
| N3 | C3 | C4 | C2 | 175.4° | 172.9° |
| N3 | C3 | C4 | N2 | 176.2° | 172.5° |
| N3 | C3 | C2 | O2 | 2.7° | 12.0° |
| N3 | C3 | C2 | N1 | 179.9° | 172.9° |
| C3 | N3 | C14 | H29 | 52.9° | 125.7° |
| O7 | C19 | C13 | N4 | 65.4° | 60.0° |
| O7 | C19 | C13 | C20 | 113.6° | 120.0° |
| O7 | C19 | C13 | H9 | 121.0° | 119.9° |
| O7 | C19 | C20 | H9 | 121.5° | 120.0° |
| O7 | C19 | C20 | C21 | 57.7° | 60.0° |
| O7 | C19 | C20 | O8 | 175.4° | 180.0° |
| O7 | C19 | C20 | H7 | 66.2° | 60.1° |
| O7 | C19 | C13 | H11 | 173.5° | 60.0° |
| O7 | C19 | C13 | H12 | 55.7° | 180.0° |
| N4 | C13 | C19 | H11 | 121.1° | 120.0° |
| N4 | C13 | C19 | H12 | 121.1° | 120.0° |
| C13 | N4 | C4 | C3 | 164.6° | 163.3° |
| N4 | C13 | C19 | C20 | 179.0° | 180.0° |
| C13 | N4 | C4 | N2 | 10.9° | 15.6° |
| N4 | C13 | C19 | H9 | 55.7° | 59.9° |
| N4 | C13 | H11 | H12 | 116.6° | 120.0° |
| C4 | N4 | C13 | C19 | 68.1° | 90.0° |
| N4 | C4 | C3 | N2 | 175.0° | 179.0° |
| N4 | C4 | C3 | C2 | 176.6° | 166.4° |
| N4 | C4 | N2 | C1 | 179.1° | 174.6° |
| C4 | N4 | C13 | H11 | 53.0° | 30.0° |
| C4 | N4 | C13 | H12 | 170.9° | 150.0° |
| C22 | C23 | C24 | H33 | 122.5° | 120.0° |
| C22 | C23 | C24 | H34 | 122.5° | 120.0° |
| C22 | C23 | C24 | C25 | 1.4° | 90.3° |
| C22 | C23 | C24 | C29 | 169.1° | 90.0° |
| C23 | C22 | C14 | H29 | 45.0° | 59.8° |
| C23 | C22 | H31 | H32 | 119.2° | 120.0° |
| C22 | C23 | H33 | H34 | 111.3° | 120.0° |
| C13 | C19 | C20 | H9 | 125.2° | 120.0° |
| C13 | C19 | C20 | C21 | 171.0° | 180.0° |
| C13 | C19 | C20 | O8 | 71.3° | 60.0° |
| C13 | C19 | C20 | H7 | 47.1° | 60.0° |
| C13 | C19 | O7 | H10 | 180.0° | 60.0° |
| C19 | C13 | H11 | H12 | 116.6° | 120.0° |
| C4 | C3 | C2 | O2 | 172.9° | 160.2° |
| C4 | C3 | C2 | N1 | 4.3° | 14.9° |
| C3 | C4 | N2 | C1 | 5.4° | 6.4° |
| C2 | C3 | C4 | N2 | 8.4° | 14.6° |
| C3 | C2 | O2 | N1 | 177.1° | 175.1° |
| C3 | C2 | N1 | C1 | 1.7° | 7.2° |
| C3 | C2 | N1 | H30 | 178.3° | 173.0° |
| C19 | C20 | C21 | O8 | 116.3° | 120.0° |
| C19 | C20 | C21 | H7 | 124.4° | 120.0° |
| C19 | C20 | O8 | H7 | 118.3° | 119.9° |
| C19 | C20 | C21 | O9 | 166.6° | 60.0° |
| C19 | C20 | C21 | C30 | 43.9° | 180.0° |
| C19 | C20 | C21 | H5 | 74.9° | 60.0° |
| C19 | C20 | O8 | H8 | 180.0° | 60.0° |
| C20 | C19 | O7 | H10 | 62.1° | 60.0° |
| C20 | C19 | C13 | H11 | 59.9° | 60.0° |
| C20 | C19 | C13 | H12 | 57.9° | 60.0° |
| C4 | N2 | C1 | N1 | 1.2° | 2.0° |
| C4 | N2 | C1 | O1 | 173.9° | 178.7° |
| O2 | C2 | N1 | C1 | 179.2° | 168.1° |
| O2 | C2 | N1 | H30 | 0.8° | 11.8° |
| C21 | C20 | O8 | H7 | 118.8° | 120.0° |
| C20 | C21 | O9 | C30 | 123.6° | 120.0° |
| C20 | C21 | O9 | H5 | 117.5° | 120.0° |
| C20 | C21 | C30 | H5 | 118.7° | 120.0° |
| C20 | C21 | C30 | O3 | 169.2° | 175.0° |
| C20 | C21 | C30 | H3 | 49.9° | 65.0° |
| C20 | C21 | C30 | H4 | 71.4° | 55.0° |
| C20 | C21 | O9 | H6 | 180.0° | 60.0° |
| C21 | C20 | O8 | H8 | 57.1° | 60.0° |
| C21 | C20 | C19 | H9 | 63.8° | 60.0° |
| O8 | C20 | C21 | O9 | 50.3° | 180.0° |
| O8 | C20 | C21 | C30 | 72.4° | 60.0° |
| O8 | C20 | C21 | H5 | 168.8° | 60.0° |
| O8 | C20 | C19 | H9 | 53.9° | 60.0° |
| C2 | N1 | C1 | N2 | 4.8° | 1.6° |
| C2 | N1 | C1 | H30 | 180.0° | 179.8° |
| C2 | N1 | C1 | O1 | 177.9° | 179.1° |
| O9 | C21 | C30 | H5 | 119.8° | 120.1° |
| O9 | C21 | C30 | O3 | 69.3° | 65.0° |
| O9 | C21 | C30 | H3 | 171.4° | 55.0° |
| O9 | C21 | C30 | H4 | 50.1° | 175.0° |
| O9 | C21 | C20 | H7 | 69.1° | 60.0° |
| C21 | C30 | O3 | H3 | 119.3° | 120.0° |
| C21 | C30 | O3 | H4 | 119.3° | 120.0° |
| C21 | C30 | O3 | P1 | 118.7° | 180.0° |
| C21 | C30 | H3 | H4 | 122.0° | 120.0° |
| C30 | C21 | O9 | H6 | 56.4° | 60.0° |
| C30 | C21 | C20 | H7 | 168.2° | 60.0° |
| C23 | C24 | C25 | C29 | 170.4° | 179.8° |
| C23 | C24 | C25 | C26 | 167.0° | 179.7° |
| C23 | C24 | C29 | C28 | 167.0° | 180.0° |
| C24 | C23 | C22 | H31 | 105.6° | 60.0° |
| C24 | C23 | C22 | H32 | 13.9° | 60.0° |
| C24 | C23 | H33 | H34 | 111.3° | 120.0° |
| C23 | C24 | C29 | H35 | 13.0° | 0.1° |
| C23 | C24 | C25 | H39 | 13.0° | 0.0° |
| C24 | C25 | C26 | H39 | 180.0° | 179.7° |
| C24 | C25 | C26 | C27 | 0.5° | 0.5° |
| C25 | C24 | C29 | C28 | 4.0° | 0.2° |
| C25 | C24 | C23 | H33 | 123.9° | 149.7° |
| C25 | C24 | C23 | H34 | 121.1° | 29.7° |
| C25 | C24 | C29 | H35 | 176.0° | 179.7° |
| C24 | C25 | C26 | H38 | 179.5° | 179.7° |
| C26 | C25 | C24 | C29 | 3.4° | 0.5° |
| C25 | C26 | C27 | H38 | 180.0° | 179.7° |
| C25 | C26 | C27 | C28 | 3.8° | 0.3° |
| C25 | C26 | C27 | H37 | 176.2° | 179.8° |
| N2 | C1 | N1 | O1 | 173.2° | 179.3° |
| N2 | C1 | N1 | H30 | 175.2° | 178.3° |
| N2 | C1 | O1 | H13 | 0.0° | 0.0° |
| C30 | O3 | P1 | O6 | 165.8° | 55.0° |
| C30 | O3 | P1 | O4 | 81.0° | 64.9° |
| C30 | O3 | P1 | O5 | 41.7° | 175.0° |
| O3 | C30 | H3 | H4 | 122.0° | 120.0° |
| O3 | C30 | C21 | H5 | 50.6° | 55.0° |
| O3 | P1 | O6 | O4 | 111.5° | 119.9° |
| O3 | P1 | O6 | O5 | 119.6° | 120.0° |
| O3 | P1 | O4 | O5 | 120.7° | 120.0° |
| O3 | P1 | O4 | H1 | 108.5° | 60.1° |
| O3 | P1 | O5 | H2 | 115.0° | 180.0° |
| P1 | O3 | C30 | H3 | 122.0° | 60.0° |
| P1 | O3 | C30 | H4 | 0.6° | 60.0° |
| C24 | C29 | C28 | H35 | 180.0° | 179.9° |
| C24 | C29 | C28 | C27 | 0.9° | 0.0° |
| C29 | C24 | C23 | H33 | 46.6° | 30.1° |
| C29 | C24 | C23 | H34 | 68.4° | 150.0° |
| C24 | C29 | C28 | H36 | 179.1° | 180.0° |
| C29 | C24 | C25 | H39 | 176.6° | 179.7° |
| N1 | C1 | O1 | H13 | 173.6° | 179.2° |
| C26 | C27 | C28 | C29 | 3.1° | 0.0° |
| C26 | C27 | C28 | H37 | 180.0° | 180.0° |
| C26 | C27 | C28 | H36 | 176.9° | 180.0° |
| C27 | C26 | C25 | H39 | 179.5° | 179.7° |
| O1 | C1 | N1 | H30 | 2.1° | 1.0° |
| O6 | P1 | O4 | O5 | 130.8° | 120.0° |
| O6 | P1 | O4 | H1 | 0.0° | 180.0° |
| O6 | P1 | O5 | H2 | 0.0° | 60.1° |
| O4 | P1 | O5 | H2 | 126.6° | 59.9° |
| O5 | P1 | O4 | H1 | 130.9° | 60.0° |
| C29 | C28 | C27 | H36 | 180.0° | 180.0° |
| C29 | C28 | C27 | H37 | 176.9° | 180.0° |
| C27 | C28 | C29 | H35 | 179.1° | 179.9° |
| C28 | C27 | C26 | H38 | 176.2° | 180.0° |
| H3 | C30 | C21 | H5 | 68.8° | 175.0° |
| H4 | C30 | C21 | H5 | 169.9° | 65.0° |
| H5 | C21 | O9 | H6 | 62.5° | 180.0° |
| H5 | C21 | C20 | H7 | 49.5° | 180.0° |
| H7 | C20 | O8 | H8 | 61.7° | 180.0° |
| H7 | C20 | C19 | H9 | 172.3° | 180.0° |
| H9 | C19 | O7 | H10 | 59.3° | 180.0° |
| H9 | C19 | C13 | H11 | 65.4° | 180.0° |
| H9 | C19 | C13 | H12 | 176.7° | 60.0° |
| H15 | C11 | H16 | H17 | 120.0° | 120.0° |
| H18 | C12 | H19 | H20 | 120.0° | 120.0° |
| H21 | C17 | H22 | H23 | 120.0° | 120.0° |
| H24 | C18 | H25 | H26 | 120.0° | 120.0° |
| H27 | C16 | C14 | H29 | 13.0° | 70.9° |
| H28 | C16 | C14 | H29 | 131.7° | 168.3° |
| H29 | C14 | C22 | H31 | 75.3° | 60.2° |
| H29 | C14 | C22 | H32 | 165.2° | 179.8° |
| H31 | C22 | C23 | H33 | 131.9° | 180.0° |
| H31 | C22 | C23 | H34 | 16.9° | 60.0° |
| H32 | C22 | C23 | H33 | 108.7° | 59.9° |
| H32 | C22 | C23 | H34 | 136.4° | 180.0° |
| H35 | C29 | C28 | H36 | 0.9° | 0.1° |
| H36 | C28 | C27 | H37 | 3.1° | 0.0° |
| H37 | C27 | C26 | H38 | 3.8° | 0.0° |
| H38 | C26 | C25 | H39 | 0.5° | 0.0° |
