JQH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C8 | sing | 1.51Å | 1.50Å | |
| C11 | C9 | sing | 1.51Å | 1.52Å | |
| C17 | C15 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.37Å | 1.39Å | Aromatic |
| C15 | C18 | sing | 1.54Å | 1.52Å | |
| C15 | C7 | sing | 1.50Å | 1.53Å | |
| C15 | C16 | sing | 1.52Å | 1.55Å | |
| C7 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C14 | sing | 1.50Å | 1.51Å | |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | N3 | sing | 1.42Å | 1.41Å | |
| C6 | N4 | sing | 1.40Å | 1.42Å | |
| C14 | N3 | sing | 1.49Å | 1.50Å | |
| C14 | C22 | sing | 1.51Å | 1.52Å | |
| N3 | C3 | sing | 1.49Å | 1.41Å | |
| O7 | C19 | sing | 1.43Å | 1.42Å | |
| N4 | C13 | sing | 1.47Å | 1.47Å | |
| N4 | C4 | sing | 1.36Å | 1.37Å | |
| C22 | C23 | doub | 1.35Å | 1.35Å | |
| C13 | C19 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.49Å | 1.48Å | |
| C3 | C23 | sing | 1.52Å | 1.66Å | |
| C3 | C2 | sing | 1.50Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C4 | N2 | doub | 1.31Å | 1.33Å | |
| O2 | C2 | doub | 1.21Å | 1.23Å | |
| C23 | C24 | sing | 1.48Å | 1.49Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | O8 | sing | 1.43Å | 1.43Å | |
| C2 | N1 | sing | 1.35Å | 1.37Å | |
| C21 | C30 | sing | 1.53Å | 1.51Å | |
| C21 | O9 | sing | 1.43Å | 1.43Å | |
| O3 | C30 | sing | 1.43Å | 1.45Å | |
| O3 | P1 | sing | 1.61Å | 1.60Å | |
| N2 | C1 | sing | 1.34Å | 1.34Å | |
| C25 | C24 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C1 | sing | 1.34Å | 1.37Å | |
| O6 | P1 | doub | 1.48Å | 1.52Å | |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| C26 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| P1 | O4 | sing | 1.61Å | 1.52Å | |
| P1 | O5 | sing | 1.61Å | 1.50Å | |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.37Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.10Å | 1.10Å | |
| C16 | H13 | sing | 1.10Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| O4 | H23 | sing | 0.97Å | 0.95Å | |
| O5 | H24 | sing | 0.97Å | 0.95Å | |
| O7 | H25 | sing | 0.97Å | 0.95Å | |
| O8 | H26 | sing | 0.97Å | 0.95Å | |
| O9 | H27 | sing | 0.97Å | 0.95Å | |
| C22 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C27 | H33 | sing | 1.08Å | 1.08Å | |
| C28 | H34 | sing | 1.08Å | 1.08Å | |
| C29 | H35 | sing | 1.08Å | 1.08Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C8 | C9 | 117.0° | 113.9° |
| C12 | C8 | C7 | 124.2° | 124.7° |
| C8 | C12 | H6 | 109.5° | 109.5° |
| C8 | C12 | H7 | 109.5° | 109.5° |
| C8 | C12 | H8 | 109.5° | 109.5° |
| C11 | C9 | C8 | 121.5° | 119.5° |
| C11 | C9 | C10 | 117.0° | 120.6° |
| C9 | C11 | H3 | 109.5° | 109.5° |
| C9 | C11 | H4 | 109.5° | 109.4° |
| C9 | C11 | H5 | 109.5° | 109.5° |
| C17 | C15 | C18 | 106.1° | 109.3° |
| C17 | C15 | C7 | 118.7° | 111.2° |
| C17 | C15 | C16 | 105.2° | 106.5° |
| C15 | C17 | H14 | 109.5° | 109.5° |
| C15 | C17 | H15 | 109.5° | 109.4° |
| C15 | C17 | H16 | 109.5° | 109.4° |
| C9 | C8 | C7 | 118.7° | 121.4° |
| C8 | C9 | C10 | 121.4° | 119.9° |
| C8 | C7 | C15 | 126.3° | 119.6° |
| C8 | C7 | C5 | 118.7° | 119.0° |
| C9 | C10 | C6 | 120.9° | 119.3° |
| C9 | C10 | H2 | 119.5° | 119.1° |
| C18 | C15 | C7 | 109.7° | 110.4° |
| C18 | C15 | C16 | 113.3° | 106.4° |
| C15 | C18 | H17 | 109.5° | 109.5° |
| C15 | C18 | H18 | 109.5° | 109.4° |
| C15 | C18 | H19 | 109.5° | 109.5° |
| C7 | C15 | C16 | 104.0° | 112.8° |
| C15 | C7 | C5 | 115.1° | 121.5° |
| C15 | C16 | C14 | 112.2° | 113.4° |
| C15 | C16 | H12 | 108.8° | 108.4° |
| C15 | C16 | H13 | 108.8° | 108.6° |
| C7 | C5 | C6 | 121.8° | 118.9° |
| C7 | C5 | N3 | 119.1° | 123.2° |
| C10 | C6 | C5 | 118.3° | 121.4° |
| C10 | C6 | N4 | 120.5° | 117.9° |
| C6 | C10 | H2 | 119.5° | 121.5° |
| C16 | C14 | N3 | 112.1° | 111.0° |
| C16 | C14 | C22 | 117.4° | 117.1° |
| C16 | C14 | H11 | 108.4° | 106.9° |
| C14 | C16 | H12 | 108.8° | 109.3° |
| C14 | C16 | H13 | 108.8° | 109.4° |
| C6 | C5 | N3 | 119.1° | 117.9° |
| C5 | C6 | N4 | 121.2° | 120.7° |
| C5 | N3 | C14 | 117.0° | 108.1° |
| C5 | N3 | C3 | 120.7° | 108.7° |
| C6 | N4 | C13 | 122.1° | 122.4° |
| C6 | N4 | C4 | 119.4° | 117.1° |
| N3 | C14 | C22 | 101.7° | 102.0° |
| C14 | N3 | C3 | 107.9° | 96.8° |
| N3 | C14 | H11 | 108.5° | 110.4° |
| C14 | C22 | C23 | 110.2° | 106.7° |
| C22 | C14 | H11 | 108.3° | 109.3° |
| C14 | C22 | H28 | 124.9° | 127.1° |
| N3 | C3 | C4 | 117.1° | 110.3° |
| N3 | C3 | C23 | 99.0° | 101.5° |
| N3 | C3 | C2 | 116.7° | 113.2° |
| O7 | C19 | C13 | 110.4° | 109.5° |
| O7 | C19 | C20 | 110.5° | 109.5° |
| O7 | C19 | H20 | 109.3° | 109.5° |
| C19 | O7 | H25 | 109.5° | 114.0° |
| C13 | N4 | C4 | 118.4° | 120.5° |
| N4 | C13 | C19 | 116.2° | 109.5° |
| N4 | C13 | H9 | 107.8° | 109.5° |
| N4 | C13 | H10 | 107.7° | 109.5° |
| N4 | C4 | C3 | 118.9° | 119.0° |
| N4 | C4 | N2 | 117.2° | 118.4° |
| C22 | C23 | C3 | 106.4° | 107.0° |
| C22 | C23 | C24 | 132.7° | 126.4° |
| C23 | C22 | H28 | 124.9° | 126.1° |
| C13 | C19 | C20 | 110.6° | 109.5° |
| C19 | C13 | H9 | 107.8° | 109.4° |
| C19 | C13 | H10 | 107.8° | 109.5° |
| C13 | C19 | H20 | 108.0° | 109.5° |
| C4 | C3 | C23 | 106.0° | 114.0° |
| C4 | C3 | C2 | 111.8° | 109.5° |
| C3 | C4 | N2 | 123.4° | 122.6° |
| C23 | C3 | C2 | 103.8° | 108.3° |
| C3 | C23 | C24 | 120.7° | 126.6° |
| C3 | C2 | O2 | 123.4° | 123.2° |
| C3 | C2 | N1 | 114.8° | 120.3° |
| C19 | C20 | C21 | 113.0° | 109.5° |
| C19 | C20 | O8 | 107.8° | 109.5° |
| C20 | C19 | H20 | 108.0° | 109.5° |
| C19 | C20 | H21 | 108.0° | 109.5° |
| C4 | N2 | C1 | 118.7° | 121.4° |
| O2 | C2 | N1 | 121.6° | 116.5° |
| C23 | C24 | C25 | 118.0° | 120.1° |
| C23 | C24 | C29 | 122.8° | 120.1° |
| C21 | C20 | O8 | 110.7° | 109.4° |
| C20 | C21 | C30 | 113.1° | 109.5° |
| C20 | C21 | O9 | 107.9° | 109.4° |
| C21 | C20 | H21 | 108.0° | 109.5° |
| C20 | C21 | H22 | 107.7° | 109.5° |
| O8 | C20 | H21 | 109.2° | 109.5° |
| C20 | O8 | H26 | 109.5° | 114.0° |
| C2 | N1 | C1 | 125.5° | 121.4° |
| C2 | N1 | H1 | 117.2° | 119.0° |
| C30 | C21 | O9 | 111.1° | 109.5° |
| C21 | C30 | O3 | 108.8° | 109.4° |
| C30 | C21 | H22 | 107.9° | 109.5° |
| C21 | C30 | H36 | 109.6° | 109.5° |
| C21 | C30 | H37 | 109.6° | 109.5° |
| O9 | C21 | H22 | 108.9° | 109.5° |
| C21 | O9 | H27 | 109.5° | 114.0° |
| C30 | O3 | P1 | 121.2° | 123.0° |
| O3 | C30 | H36 | 109.6° | 109.4° |
| O3 | C30 | H37 | 109.7° | 109.5° |
| O3 | P1 | O6 | 101.8° | 109.5° |
| O3 | P1 | O4 | 105.2° | 109.5° |
| O3 | P1 | O5 | 108.6° | 109.5° |
| N2 | C1 | N1 | 119.8° | 120.7° |
| N2 | C1 | O1 | 122.6° | 119.6° |
| C24 | C25 | C26 | 121.0° | 119.9° |
| C25 | C24 | C29 | 117.3° | 119.8° |
| C24 | C25 | H31 | 119.5° | 120.1° |
| C25 | C26 | C27 | 120.0° | 120.1° |
| C26 | C25 | H31 | 119.5° | 120.1° |
| C25 | C26 | H32 | 120.0° | 119.9° |
| C24 | C29 | C28 | 120.9° | 119.8° |
| C24 | C29 | H35 | 119.5° | 120.1° |
| N1 | C1 | O1 | 117.2° | 119.7° |
| C1 | N1 | H1 | 117.3° | 119.7° |
| O6 | P1 | O4 | 111.8° | 109.5° |
| O6 | P1 | O5 | 115.6° | 109.4° |
| C26 | C27 | C28 | 120.4° | 120.3° |
| C27 | C26 | H32 | 120.0° | 119.9° |
| C26 | C27 | H33 | 119.8° | 119.9° |
| O4 | P1 | O5 | 112.6° | 109.5° |
| P1 | O4 | H23 | 109.5° | 114.0° |
| P1 | O5 | H24 | 109.5° | 114.0° |
| C29 | C28 | C27 | 120.1° | 120.1° |
| C29 | C28 | H34 | 119.9° | 119.9° |
| C28 | C29 | H35 | 119.6° | 120.1° |
| C28 | C27 | H33 | 119.8° | 119.8° |
| C27 | C28 | H34 | 119.9° | 120.0° |
| H3 | C11 | H4 | 109.4° | 109.5° |
| H3 | C11 | H5 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.4° |
| H6 | C12 | H8 | 109.4° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.4° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.5° | 107.7° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H14 | C17 | H16 | 109.5° | 109.5° |
| H15 | C17 | H16 | 109.4° | 109.5° |
| H17 | C18 | H18 | 109.4° | 109.5° |
| H17 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H36 | C30 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C8 | C9 | C11 | 6.5° | 2.1° |
| C12 | C8 | C9 | C7 | 177.6° | 179.0° |
| C12 | C8 | C9 | C10 | 175.3° | 177.9° |
| C12 | C8 | C7 | C15 | 4.2° | 4.7° |
| C12 | C8 | C7 | C5 | 175.2° | 176.3° |
| C8 | C12 | H6 | H7 | 120.0° | 120.1° |
| C8 | C12 | H6 | H8 | 120.0° | 120.0° |
| C8 | C12 | H7 | H8 | 120.0° | 120.0° |
| C11 | C9 | C8 | C10 | 178.2° | 179.9° |
| C11 | C9 | C8 | C7 | 175.9° | 178.9° |
| C11 | C9 | C10 | C6 | 175.0° | 179.3° |
| C11 | C9 | C10 | H2 | 5.1° | 1.5° |
| C9 | C11 | H3 | H4 | 120.0° | 120.0° |
| C9 | C11 | H3 | H5 | 120.0° | 120.0° |
| C9 | C11 | H4 | H5 | 120.0° | 120.0° |
| C17 | C15 | C7 | C8 | 15.1° | 57.0° |
| C17 | C15 | C18 | C7 | 129.3° | 122.6° |
| C17 | C15 | C18 | C16 | 114.9° | 114.7° |
| C17 | C15 | C7 | C16 | 116.3° | 119.6° |
| C17 | C15 | C7 | C5 | 165.5° | 122.0° |
| C17 | C15 | C16 | C14 | 170.2° | 98.0° |
| C17 | C15 | C16 | H12 | 49.8° | 23.6° |
| C17 | C15 | C16 | H13 | 69.4° | 140.3° |
| C15 | C17 | H14 | H15 | 120.0° | 120.0° |
| C15 | C17 | H14 | H16 | 120.0° | 120.0° |
| C15 | C17 | H15 | H16 | 120.0° | 119.9° |
| C17 | C15 | C18 | H17 | 180.0° | 40.7° |
| C17 | C15 | C18 | H18 | 60.0° | 79.2° |
| C17 | C15 | C18 | H19 | 60.0° | 160.8° |
| C9 | C8 | C7 | C15 | 178.3° | 176.5° |
| C9 | C8 | C7 | C5 | 2.3° | 2.6° |
| C8 | C9 | C10 | C6 | 3.3° | 0.7° |
| C8 | C9 | C10 | H2 | 176.6° | 178.4° |
| C8 | C9 | C11 | H3 | 90.9° | 90.0° |
| C8 | C9 | C11 | H4 | 149.1° | 150.0° |
| C8 | C9 | C11 | H5 | 29.1° | 30.0° |
| C9 | C8 | C12 | H6 | 91.0° | 84.3° |
| C9 | C8 | C12 | H7 | 148.9° | 155.7° |
| C9 | C8 | C12 | H8 | 28.9° | 35.7° |
| C7 | C8 | C9 | C10 | 2.3° | 1.0° |
| C8 | C7 | C15 | C18 | 107.0° | 64.5° |
| C8 | C7 | C15 | C5 | 179.5° | 179.0° |
| C8 | C7 | C15 | C16 | 131.4° | 176.6° |
| C8 | C7 | C5 | C6 | 3.2° | 2.4° |
| C8 | C7 | C5 | N3 | 178.7° | 177.5° |
| C7 | C8 | C12 | H6 | 91.4° | 96.7° |
| C7 | C8 | C12 | H7 | 28.6° | 23.3° |
| C7 | C8 | C12 | H8 | 148.6° | 143.3° |
| C9 | C10 | C6 | H2 | 180.0° | 179.1° |
| C9 | C10 | C6 | C5 | 4.1° | 0.9° |
| C9 | C10 | C6 | N4 | 176.8° | 179.5° |
| C10 | C9 | C11 | H3 | 90.8° | 90.0° |
| C10 | C9 | C11 | H4 | 29.2° | 30.0° |
| C10 | C9 | C11 | H5 | 149.2° | 149.9° |
| C18 | C15 | C7 | C16 | 121.6° | 118.9° |
| C18 | C15 | C7 | C5 | 72.4° | 116.5° |
| C18 | C15 | C16 | C14 | 54.8° | 145.5° |
| C18 | C15 | C16 | H12 | 65.7° | 93.0° |
| C18 | C15 | C16 | H13 | 175.2° | 23.7° |
| C18 | C15 | C17 | H14 | 180.0° | 60.0° |
| C18 | C15 | C17 | H15 | 60.0° | 180.0° |
| C18 | C15 | C17 | H16 | 60.0° | 60.0° |
| C15 | C18 | H17 | H18 | 120.0° | 120.0° |
| C15 | C18 | H17 | H19 | 120.0° | 120.0° |
| C15 | C18 | H18 | H19 | 120.0° | 120.0° |
| C7 | C15 | C16 | C14 | 64.3° | 24.3° |
| C15 | C7 | C5 | C6 | 177.3° | 176.7° |
| C15 | C7 | C5 | N3 | 0.8° | 3.5° |
| C7 | C15 | C16 | H12 | 175.3° | 145.8° |
| C7 | C15 | C16 | H13 | 56.1° | 97.5° |
| C7 | C15 | C17 | H14 | 56.1° | 62.2° |
| C7 | C15 | C17 | H15 | 176.1° | 57.8° |
| C7 | C15 | C17 | H16 | 63.9° | 177.8° |
| C7 | C15 | C18 | H17 | 50.7° | 81.9° |
| C7 | C15 | C18 | H18 | 69.3° | 158.1° |
| C7 | C15 | C18 | H19 | 170.7° | 38.1° |
| C16 | C15 | C7 | C5 | 49.1° | 2.4° |
| C15 | C16 | C14 | H12 | 120.4° | 121.1° |
| C15 | C16 | C14 | H13 | 120.4° | 121.3° |
| C15 | C16 | C14 | N3 | 29.4° | 57.3° |
| C15 | C16 | C14 | C22 | 146.6° | 59.3° |
| C15 | C16 | C14 | H11 | 90.4° | 177.8° |
| C15 | C16 | H12 | H13 | 118.7° | 117.3° |
| C16 | C15 | C17 | H14 | 59.6° | 174.6° |
| C16 | C15 | C17 | H15 | 60.4° | 65.4° |
| C16 | C15 | C17 | H16 | 179.7° | 54.6° |
| C16 | C15 | C18 | H17 | 65.1° | 155.4° |
| C16 | C15 | C18 | H18 | 174.9° | 35.4° |
| C16 | C15 | C18 | H19 | 54.9° | 84.6° |
| C7 | C5 | C6 | C10 | 4.1° | 0.7° |
| C7 | C5 | C6 | N3 | 178.0° | 179.9° |
| C7 | C5 | C6 | N4 | 176.8° | 178.9° |
| C7 | C5 | N3 | C14 | 40.9° | 34.6° |
| C7 | C5 | N3 | C3 | 175.6° | 138.6° |
| C10 | C6 | C5 | N4 | 179.1° | 179.6° |
| C10 | C6 | C5 | N3 | 177.8° | 179.2° |
| C10 | C6 | N4 | C13 | 16.9° | 26.2° |
| C10 | C6 | N4 | C4 | 168.0° | 154.8° |
| C16 | C14 | N3 | C5 | 23.5° | 60.6° |
| C16 | C14 | N3 | C22 | 126.3° | 125.5° |
| C16 | C14 | N3 | H11 | 119.7° | 118.4° |
| C16 | C14 | C22 | H11 | 123.1° | 121.7° |
| C16 | C14 | N3 | C3 | 163.6° | 172.9° |
| C16 | C14 | C22 | C23 | 141.6° | 152.2° |
| C14 | C16 | H12 | H13 | 118.7° | 118.7° |
| C16 | C14 | C22 | H28 | 38.4° | 28.0° |
| C6 | C5 | N3 | C14 | 137.2° | 145.6° |
| C6 | C5 | N3 | C3 | 2.5° | 41.6° |
| C5 | C6 | N4 | C13 | 164.0° | 154.2° |
| C5 | C6 | N4 | C4 | 11.1° | 24.8° |
| C5 | C6 | C10 | H2 | 175.8° | 178.2° |
| N3 | C5 | C6 | N4 | 1.3° | 1.3° |
| C5 | N3 | C14 | C3 | 140.1° | 112.3° |
| C5 | N3 | C14 | C22 | 102.8° | 64.9° |
| C5 | N3 | C3 | C4 | 12.3° | 56.3° |
| C5 | N3 | C3 | C23 | 100.9° | 64.8° |
| C5 | N3 | C3 | C2 | 148.6° | 179.3° |
| C5 | N3 | C14 | H11 | 143.2° | 179.0° |
| C6 | N4 | C13 | C4 | 175.1° | 178.9° |
| C6 | N4 | C13 | C19 | 106.0° | 90.0° |
| C6 | N4 | C4 | C3 | 21.2° | 6.5° |
| C6 | N4 | C4 | N2 | 166.4° | 175.7° |
| N4 | C6 | C10 | H2 | 3.3° | 1.4° |
| C6 | N4 | C13 | H9 | 133.0° | 150.0° |
| C6 | N4 | C13 | H10 | 14.9° | 30.0° |
| N3 | C14 | C22 | H11 | 114.2° | 116.9° |
| N3 | C14 | C22 | C23 | 18.9° | 30.8° |
| C14 | N3 | C3 | C4 | 150.6° | 168.0° |
| C14 | N3 | C3 | C23 | 37.4° | 46.9° |
| C14 | N3 | C3 | C2 | 73.1° | 69.0° |
| N3 | C14 | C16 | H12 | 149.8° | 178.4° |
| N3 | C14 | C16 | H13 | 91.0° | 64.0° |
| N3 | C14 | C22 | H28 | 161.1° | 149.5° |
| C22 | C14 | N3 | C3 | 37.3° | 47.3° |
| C14 | C22 | C23 | H28 | 180.0° | 179.8° |
| C14 | C22 | C23 | C3 | 3.1° | 0.2° |
| C14 | C22 | C23 | C24 | 171.5° | 179.7° |
| C22 | C14 | C16 | H12 | 92.9° | 61.8° |
| C22 | C14 | C16 | H13 | 26.2° | 179.4° |
| N3 | C3 | C4 | N4 | 21.9° | 33.8° |
| N3 | C3 | C23 | C22 | 25.2° | 30.3° |
| N3 | C3 | C4 | C23 | 109.2° | 113.4° |
| N3 | C3 | C4 | C2 | 138.3° | 125.1° |
| N3 | C3 | C23 | C2 | 120.5° | 119.3° |
| N3 | C3 | C4 | N2 | 166.2° | 143.9° |
| N3 | C3 | C2 | O2 | 20.2° | 40.5° |
| N3 | C3 | C23 | C24 | 150.2° | 149.8° |
| N3 | C3 | C2 | N1 | 163.8° | 139.8° |
| C3 | N3 | C14 | H11 | 76.7° | 68.7° |
| O7 | C19 | C13 | N4 | 58.7° | 60.0° |
| O7 | C19 | C13 | C20 | 122.6° | 120.0° |
| O7 | C19 | C13 | H20 | 119.5° | 120.0° |
| O7 | C19 | C20 | H20 | 119.5° | 120.0° |
| O7 | C19 | C20 | C21 | 51.5° | 60.0° |
| O7 | C19 | C20 | O8 | 174.2° | 180.0° |
| O7 | C19 | C13 | H9 | 179.6° | 180.0° |
| O7 | C19 | C13 | H10 | 62.3° | 60.0° |
| O7 | C19 | C20 | H21 | 67.9° | 60.0° |
| N4 | C13 | C19 | H9 | 121.0° | 120.0° |
| N4 | C13 | C19 | H10 | 120.9° | 120.0° |
| C13 | N4 | C4 | C3 | 154.0° | 172.5° |
| N4 | C13 | C19 | C20 | 178.8° | 180.0° |
| C13 | N4 | C4 | N2 | 18.3° | 5.3° |
| N4 | C13 | H9 | H10 | 116.9° | 120.0° |
| N4 | C13 | C19 | H20 | 60.8° | 60.0° |
| C4 | N4 | C13 | C19 | 78.9° | 89.0° |
| N4 | C4 | C3 | N2 | 171.8° | 177.8° |
| N4 | C4 | C3 | C23 | 87.3° | 79.5° |
| N4 | C4 | C3 | C2 | 160.2° | 159.0° |
| N4 | C4 | N2 | C1 | 174.4° | 172.4° |
| C4 | N4 | C13 | H9 | 42.1° | 31.0° |
| C4 | N4 | C13 | H10 | 160.2° | 151.1° |
| C22 | C23 | C3 | C4 | 146.8° | 148.8° |
| C22 | C23 | C3 | C24 | 175.4° | 179.9° |
| C22 | C23 | C3 | C2 | 95.3° | 89.0° |
| C22 | C23 | C24 | C25 | 84.2° | 114.6° |
| C22 | C23 | C24 | C29 | 111.8° | 65.2° |
| C23 | C22 | C14 | H11 | 95.3° | 86.1° |
| C13 | C19 | C20 | H20 | 117.9° | 120.0° |
| C13 | C19 | C20 | C21 | 174.1° | 180.0° |
| C13 | C19 | C20 | O8 | 63.2° | 60.0° |
| C19 | C13 | H9 | H10 | 117.0° | 120.0° |
| C13 | C19 | C20 | H21 | 54.7° | 60.0° |
| C13 | C19 | O7 | H25 | 180.0° | 60.0° |
| C4 | C3 | C23 | C2 | 117.9° | 122.2° |
| C4 | C3 | C2 | O2 | 158.7° | 163.9° |
| C4 | C3 | C23 | C24 | 28.6° | 31.3° |
| C4 | C3 | C2 | N1 | 25.3° | 16.3° |
| C3 | C4 | N2 | C1 | 13.7° | 5.4° |
| C23 | C3 | C4 | N2 | 84.5° | 102.7° |
| C23 | C3 | C2 | O2 | 87.4° | 71.3° |
| C23 | C3 | C2 | N1 | 88.5° | 108.5° |
| C3 | C23 | C24 | C25 | 89.8° | 65.3° |
| C3 | C23 | C24 | C29 | 74.2° | 115.0° |
| C3 | C23 | C22 | H28 | 176.9° | 180.0° |
| C2 | C3 | C4 | N2 | 27.9° | 18.8° |
| C3 | C2 | O2 | N1 | 175.7° | 179.8° |
| C2 | C3 | C23 | C24 | 89.3° | 90.8° |
| C3 | C2 | N1 | C1 | 12.2° | 1.1° |
| C3 | C2 | N1 | H1 | 167.8° | 177.7° |
| C19 | C20 | C21 | O8 | 121.0° | 120.0° |
| C19 | C20 | C21 | H21 | 119.4° | 120.0° |
| C19 | C20 | O8 | H21 | 117.1° | 120.0° |
| C19 | C20 | C21 | C30 | 47.6° | 180.0° |
| C19 | C20 | C21 | O9 | 170.9° | 60.0° |
| C20 | C19 | C13 | H9 | 57.8° | 60.0° |
| C20 | C19 | C13 | H10 | 60.3° | 60.0° |
| C19 | C20 | C21 | H22 | 71.7° | 60.0° |
| C20 | C19 | O7 | H25 | 57.4° | 60.0° |
| C19 | C20 | O8 | H26 | 180.0° | 60.0° |
| C4 | N2 | C1 | N1 | 3.1° | 12.8° |
| C4 | N2 | C1 | O1 | 175.8° | 169.2° |
| O2 | C2 | N1 | C1 | 171.7° | 179.1° |
| O2 | C2 | N1 | H1 | 8.3° | 2.1° |
| C23 | C24 | C25 | C29 | 164.9° | 179.7° |
| C23 | C24 | C25 | C26 | 160.2° | 180.0° |
| C23 | C24 | C29 | C28 | 161.2° | 179.7° |
| C24 | C23 | C22 | H28 | 8.5° | 0.1° |
| C23 | C24 | C25 | H31 | 19.8° | 0.0° |
| C23 | C24 | C29 | H35 | 18.8° | 0.0° |
| C21 | C20 | O8 | H21 | 118.8° | 120.0° |
| C20 | C21 | C30 | O9 | 121.5° | 120.0° |
| C20 | C21 | C30 | H22 | 119.1° | 120.0° |
| C20 | C21 | O9 | H22 | 116.7° | 120.0° |
| C20 | C21 | C30 | O3 | 174.0° | 175.0° |
| C21 | C20 | C19 | H20 | 68.0° | 60.0° |
| C21 | C20 | O8 | H26 | 55.9° | 60.0° |
| C20 | C21 | O9 | H27 | 180.0° | 60.0° |
| C20 | C21 | C30 | H36 | 54.1° | 55.1° |
| C20 | C21 | C30 | H37 | 66.0° | 65.0° |
| O8 | C20 | C21 | C30 | 73.5° | 60.0° |
| O8 | C20 | C21 | O9 | 49.8° | 180.0° |
| O8 | C20 | C19 | H20 | 54.7° | 60.0° |
| O8 | C20 | C21 | H22 | 167.3° | 60.0° |
| C2 | N1 | C1 | N2 | 3.5° | 14.9° |
| C2 | N1 | C1 | H1 | 180.0° | 178.8° |
| C2 | N1 | C1 | O1 | 176.5° | 167.1° |
| C30 | C21 | O9 | H22 | 118.8° | 120.1° |
| C21 | C30 | O3 | H36 | 119.9° | 120.0° |
| C21 | C30 | O3 | H37 | 119.9° | 120.0° |
| C21 | C30 | O3 | P1 | 113.0° | 180.0° |
| C30 | C21 | C20 | H21 | 167.0° | 59.9° |
| C30 | C21 | O9 | H27 | 55.4° | 60.0° |
| C21 | C30 | H36 | H37 | 120.3° | 120.1° |
| O9 | C21 | C30 | O3 | 64.4° | 65.0° |
| O9 | C21 | C20 | H21 | 69.7° | 60.0° |
| O9 | C21 | C30 | H36 | 175.7° | 175.0° |
| O9 | C21 | C30 | H37 | 55.5° | 55.0° |
| C30 | O3 | P1 | O6 | 166.7° | 55.0° |
| C30 | O3 | P1 | O4 | 76.6° | 65.0° |
| C30 | O3 | P1 | O5 | 44.2° | 175.0° |
| O3 | C30 | C21 | H22 | 54.9° | 55.0° |
| O3 | C30 | H36 | H37 | 120.3° | 120.0° |
| O3 | P1 | O6 | O4 | 111.8° | 120.0° |
| O3 | P1 | O6 | O5 | 117.6° | 120.0° |
| O3 | P1 | O4 | O5 | 118.2° | 120.0° |
| O3 | P1 | O4 | H23 | 109.7° | 60.0° |
| O3 | P1 | O5 | H24 | 113.6° | 180.0° |
| P1 | O3 | C30 | H36 | 127.1° | 60.0° |
| P1 | O3 | C30 | H37 | 6.9° | 60.0° |
| N2 | C1 | N1 | O1 | 173.1° | 178.0° |
| N2 | C1 | N1 | H1 | 176.5° | 166.3° |
| C24 | C25 | C26 | H31 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 3.1° | 0.1° |
| C25 | C24 | C29 | C28 | 2.9° | 0.6° |
| C24 | C25 | C26 | H32 | 176.9° | 180.0° |
| C25 | C24 | C29 | H35 | 177.1° | 179.7° |
| C26 | C25 | C24 | C29 | 4.7° | 0.2° |
| C25 | C26 | C27 | H32 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.4° | 0.0° |
| C25 | C26 | C27 | H33 | 179.6° | 180.0° |
| C24 | C29 | C28 | H35 | 180.0° | 179.8° |
| C24 | C29 | C28 | C27 | 0.4° | 0.6° |
| C29 | C24 | C25 | H31 | 175.3° | 179.8° |
| C24 | C29 | C28 | H34 | 179.6° | 179.7° |
| O6 | P1 | O4 | O5 | 132.2° | 120.0° |
| O6 | P1 | O4 | H23 | 0.0° | 180.0° |
| O6 | P1 | O5 | H24 | 0.0° | 60.0° |
| O1 | C1 | N1 | H1 | 3.5° | 11.6° |
| C26 | C27 | C28 | C29 | 2.2° | 0.3° |
| C26 | C27 | C28 | H33 | 180.0° | 180.0° |
| C27 | C26 | C25 | H31 | 177.0° | 180.0° |
| C26 | C27 | C28 | H34 | 177.8° | 180.0° |
| O4 | P1 | O5 | H24 | 130.3° | 60.0° |
| O5 | P1 | O4 | H23 | 132.2° | 60.0° |
| C29 | C28 | C27 | H34 | 180.0° | 179.7° |
| C29 | C28 | C27 | H33 | 177.8° | 179.7° |
| C28 | C27 | C26 | H32 | 179.6° | 180.0° |
| C27 | C28 | C29 | H35 | 179.6° | 179.6° |
| H3 | C11 | H4 | H5 | 120.0° | 120.0° |
| H6 | C12 | H7 | H8 | 120.0° | 119.9° |
| H9 | C13 | C19 | H20 | 60.2° | 60.0° |
| H10 | C13 | C19 | H20 | 178.3° | 180.0° |
| H11 | C14 | C16 | H12 | 30.1° | 61.1° |
| H11 | C14 | C16 | H13 | 149.2° | 56.5° |
| H11 | C14 | C22 | H28 | 84.7° | 93.7° |
| H14 | C17 | H15 | H16 | 120.0° | 120.1° |
| H17 | C18 | H18 | H19 | 120.0° | 120.1° |
| H20 | C19 | C20 | H21 | 172.6° | 180.0° |
| H20 | C19 | O7 | H25 | 61.4° | 180.0° |
| H21 | C20 | C21 | H22 | 47.8° | 180.0° |
| H21 | C20 | O8 | H26 | 62.9° | 180.0° |
| H22 | C21 | O9 | H27 | 63.3° | 180.0° |
| H22 | C21 | C30 | H36 | 65.0° | 64.9° |
| H22 | C21 | C30 | H37 | 174.8° | 175.0° |
| H31 | C25 | C26 | H32 | 3.1° | 0.0° |
| H32 | C26 | C27 | H33 | 0.4° | 0.0° |
| H33 | C27 | C28 | H34 | 2.2° | 0.0° |
| H34 | C28 | C29 | H35 | 0.4° | 0.1° |
