JRH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C4 | sing | 1.51Å | 1.51Å | |
| C14 | C5 | sing | 1.51Å | 1.50Å | |
| C17 | C13 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.37Å | 1.40Å | Aromatic |
| C13 | C16 | sing | 1.54Å | 1.55Å | |
| C13 | C3 | sing | 1.50Å | 1.55Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C3 | C2 | doub | 1.40Å | 1.43Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.50Å | 1.51Å | |
| C2 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | N2 | sing | 1.41Å | 1.44Å | |
| C1 | N1 | sing | 1.40Å | 1.45Å | |
| C11 | N2 | sing | 1.49Å | 1.48Å | |
| C11 | C24 | sing | 1.54Å | 1.55Å | |
| N2 | C8 | sing | 1.48Å | 1.44Å | |
| O3 | C19 | sing | 1.43Å | 1.44Å | |
| N1 | C18 | sing | 1.47Å | 1.47Å | |
| N1 | C7 | sing | 1.35Å | 1.38Å | |
| C24 | C23 | sing | 1.56Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.49Å | 1.53Å | |
| C8 | C23 | sing | 1.54Å | 1.56Å | |
| C8 | C10 | sing | 1.51Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C7 | N3 | doub | 1.31Å | 1.29Å | |
| O2 | C10 | doub | 1.21Å | 1.23Å | |
| C23 | C25 | sing | 1.52Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | O5 | sing | 1.43Å | 1.44Å | |
| C21 | O4 | sing | 1.43Å | 1.43Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C10 | N4 | sing | 1.35Å | 1.35Å | |
| O6 | C22 | sing | 1.43Å | 1.47Å | |
| O6 | P1 | sing | 1.61Å | 1.62Å | |
| N3 | C9 | sing | 1.34Å | 1.36Å | |
| N4 | C9 | sing | 1.34Å | 1.35Å | |
| O7 | P1 | doub | 1.48Å | 1.52Å | |
| C9 | O1 | doub | 1.21Å | 1.22Å | |
| P1 | O9 | sing | 1.61Å | 1.50Å | |
| P1 | O8 | sing | 1.61Å | 1.52Å | |
| O9 | H1 | sing | 0.97Å | 0.95Å | |
| O8 | H3 | sing | 0.97Å | 0.95Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| N4 | H6 | sing | 0.97Å | 1.00Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| O3 | H25 | sing | 0.97Å | 0.95Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| O4 | H28 | sing | 0.97Å | 0.95Å | |
| O5 | H29 | sing | 0.97Å | 0.95Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.10Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C4 | C5 | 119.4° | 113.8° |
| C15 | C4 | C3 | 120.8° | 124.9° |
| C4 | C15 | H13 | 109.5° | 109.4° |
| C4 | C15 | H14 | 109.5° | 109.4° |
| C4 | C15 | H15 | 109.4° | 109.4° |
| C14 | C5 | C4 | 120.9° | 119.5° |
| C14 | C5 | C6 | 119.0° | 120.5° |
| C5 | C14 | H10 | 109.5° | 109.5° |
| C5 | C14 | H11 | 109.5° | 109.5° |
| C5 | C14 | H12 | 109.5° | 109.5° |
| C17 | C13 | C16 | 107.0° | 109.2° |
| C17 | C13 | C3 | 118.5° | 112.0° |
| C17 | C13 | C12 | 103.2° | 107.9° |
| C13 | C17 | H19 | 109.5° | 109.5° |
| C13 | C17 | H20 | 109.5° | 109.4° |
| C13 | C17 | H21 | 109.5° | 109.5° |
| C5 | C4 | C3 | 119.8° | 121.3° |
| C4 | C5 | C6 | 120.1° | 120.0° |
| C4 | C3 | C13 | 126.2° | 119.3° |
| C4 | C3 | C2 | 118.9° | 119.0° |
| C5 | C6 | C1 | 121.0° | 119.6° |
| C5 | C6 | H5 | 119.5° | 118.4° |
| C16 | C13 | C3 | 108.9° | 110.1° |
| C16 | C13 | C12 | 109.8° | 105.2° |
| C13 | C16 | H16 | 109.5° | 109.5° |
| C13 | C16 | H17 | 109.4° | 109.4° |
| C13 | C16 | H18 | 109.5° | 109.5° |
| C3 | C13 | C12 | 109.2° | 112.2° |
| C13 | C3 | C2 | 114.8° | 121.7° |
| C13 | C12 | C11 | 113.1° | 112.5° |
| C13 | C12 | H8 | 108.6° | 108.4° |
| C13 | C12 | H9 | 108.5° | 108.4° |
| C3 | C2 | C1 | 120.9° | 119.0° |
| C3 | C2 | N2 | 119.0° | 122.7° |
| C6 | C1 | C2 | 119.1° | 121.0° |
| C6 | C1 | N1 | 121.3° | 117.5° |
| C1 | C6 | H5 | 119.5° | 122.0° |
| C12 | C11 | N2 | 112.8° | 110.0° |
| C12 | C11 | C24 | 117.4° | 118.0° |
| C12 | C11 | H7 | 107.4° | 108.6° |
| C11 | C12 | H8 | 108.5° | 109.7° |
| C11 | C12 | H9 | 108.6° | 109.6° |
| C1 | C2 | N2 | 120.0° | 118.3° |
| C2 | C1 | N1 | 119.6° | 121.4° |
| C2 | N2 | C11 | 122.9° | 109.2° |
| C2 | N2 | C8 | 122.1° | 112.4° |
| C1 | N1 | C18 | 118.9° | 122.4° |
| C1 | N1 | C7 | 122.1° | 118.3° |
| N2 | C11 | C24 | 104.1° | 101.0° |
| C11 | N2 | C8 | 106.7° | 100.4° |
| N2 | C11 | H7 | 107.7° | 110.2° |
| C11 | C24 | C23 | 107.0° | 101.1° |
| C24 | C11 | H7 | 106.9° | 108.8° |
| C11 | C24 | H33 | 110.1° | 111.4° |
| C11 | C24 | H34 | 110.1° | 112.2° |
| N2 | C8 | C7 | 114.6° | 111.6° |
| N2 | C8 | C23 | 105.9° | 105.1° |
| N2 | C8 | C10 | 111.5° | 111.2° |
| O3 | C19 | C18 | 108.1° | 109.5° |
| O3 | C19 | C20 | 111.5° | 109.5° |
| O3 | C19 | H24 | 109.3° | 109.4° |
| C19 | O3 | H25 | 109.5° | 113.9° |
| C18 | N1 | C7 | 118.8° | 119.3° |
| N1 | C18 | C19 | 114.5° | 109.5° |
| N1 | C18 | H22 | 108.2° | 109.5° |
| N1 | C18 | H23 | 108.2° | 109.4° |
| N1 | C7 | C8 | 118.2° | 119.9° |
| N1 | C7 | N3 | 120.0° | 118.7° |
| C24 | C23 | C8 | 103.1° | 104.0° |
| C24 | C23 | C25 | 113.9° | 111.1° |
| C24 | C23 | H32 | 106.7° | 109.5° |
| C23 | C24 | H33 | 110.1° | 110.5° |
| C23 | C24 | H34 | 110.1° | 109.7° |
| C18 | C19 | C20 | 111.6° | 109.5° |
| C19 | C18 | H22 | 108.2° | 109.5° |
| C19 | C18 | H23 | 108.2° | 109.4° |
| C18 | C19 | H24 | 108.1° | 109.5° |
| C7 | C8 | C23 | 114.4° | 113.3° |
| C7 | C8 | C10 | 109.9° | 108.7° |
| C8 | C7 | N3 | 121.8° | 121.4° |
| C23 | C8 | C10 | 99.6° | 106.8° |
| C8 | C23 | C25 | 119.2° | 112.2° |
| C8 | C23 | H32 | 106.4° | 109.7° |
| C8 | C10 | O2 | 126.2° | 121.5° |
| C8 | C10 | N4 | 113.2° | 119.9° |
| C19 | C20 | C21 | 113.3° | 109.5° |
| C19 | C20 | O5 | 105.9° | 109.5° |
| C20 | C19 | H24 | 108.1° | 109.5° |
| C19 | C20 | H26 | 108.5° | 109.5° |
| C7 | N3 | C9 | 117.8° | 121.4° |
| O2 | C10 | N4 | 120.2° | 118.6° |
| C25 | C23 | H32 | 106.7° | 110.2° |
| C23 | C25 | H35 | 109.5° | 109.4° |
| C23 | C25 | H36 | 109.4° | 109.5° |
| C23 | C25 | H37 | 109.5° | 109.5° |
| C21 | C20 | O5 | 110.9° | 109.5° |
| C20 | C21 | O4 | 107.4° | 109.5° |
| C20 | C21 | C22 | 113.8° | 109.5° |
| C21 | C20 | H26 | 108.5° | 109.5° |
| C20 | C21 | H27 | 108.5° | 109.5° |
| O5 | C20 | H26 | 109.8° | 109.4° |
| C20 | O5 | H29 | 109.5° | 114.0° |
| O4 | C21 | C22 | 108.5° | 109.5° |
| O4 | C21 | H27 | 110.0° | 109.4° |
| C21 | O4 | H28 | 109.5° | 114.0° |
| C21 | C22 | O6 | 107.7° | 109.5° |
| C22 | C21 | H27 | 108.7° | 109.5° |
| C21 | C22 | H30 | 109.9° | 109.5° |
| C21 | C22 | H31 | 109.9° | 109.5° |
| C10 | N4 | C9 | 124.2° | 120.7° |
| C10 | N4 | H6 | 117.9° | 119.6° |
| C22 | O6 | P1 | 116.8° | 123.1° |
| O6 | C22 | H30 | 109.9° | 109.4° |
| O6 | C22 | H31 | 110.0° | 109.5° |
| O6 | P1 | O7 | 100.9° | 109.4° |
| O6 | P1 | O9 | 108.1° | 109.5° |
| O6 | P1 | O8 | 105.5° | 109.5° |
| N3 | C9 | N4 | 122.7° | 120.7° |
| N3 | C9 | O1 | 123.8° | 119.8° |
| N4 | C9 | O1 | 113.5° | 119.5° |
| C9 | N4 | H6 | 117.9° | 119.7° |
| O7 | P1 | O9 | 113.8° | 109.5° |
| O7 | P1 | O8 | 113.5° | 109.4° |
| O9 | P1 | O8 | 113.7° | 109.4° |
| P1 | O9 | H1 | 109.5° | 114.0° |
| P1 | O8 | H3 | 109.5° | 114.0° |
| H8 | C12 | H9 | 109.5° | 108.0° |
| H10 | C14 | H11 | 109.4° | 109.5° |
| H10 | C14 | H12 | 109.5° | 109.4° |
| H11 | C14 | H12 | 109.5° | 109.4° |
| H13 | C15 | H14 | 109.4° | 109.5° |
| H13 | C15 | H15 | 109.4° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H16 | C16 | H18 | 109.5° | 109.4° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H19 | C17 | H21 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.4° |
| H22 | C18 | H23 | 109.4° | 109.5° |
| H30 | C22 | H31 | 109.4° | 109.4° |
| H33 | C24 | H34 | 109.5° | 111.5° |
| H35 | C25 | H36 | 109.5° | 109.5° |
| H35 | C25 | H37 | 109.4° | 109.4° |
| H36 | C25 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C4 | C5 | C14 | 4.1° | 0.6° |
| C15 | C4 | C5 | C3 | 177.8° | 179.9° |
| C15 | C4 | C5 | C6 | 177.1° | 179.4° |
| C15 | C4 | C3 | C13 | 0.4° | 3.5° |
| C15 | C4 | C3 | C2 | 178.2° | 178.7° |
| C4 | C15 | H13 | H14 | 120.0° | 120.0° |
| C4 | C15 | H13 | H15 | 120.0° | 120.0° |
| C4 | C15 | H14 | H15 | 120.0° | 119.9° |
| C14 | C5 | C4 | C6 | 178.8° | 180.0° |
| C14 | C5 | C4 | C3 | 178.1° | 179.5° |
| C14 | C5 | C6 | C1 | 174.9° | 179.1° |
| C14 | C5 | C6 | H5 | 5.1° | 1.5° |
| C5 | C14 | H10 | H11 | 120.0° | 120.1° |
| C5 | C14 | H10 | H12 | 120.0° | 120.0° |
| C5 | C14 | H11 | H12 | 120.0° | 120.0° |
| C17 | C13 | C3 | C4 | 18.9° | 59.7° |
| C17 | C13 | C16 | C3 | 129.2° | 123.4° |
| C17 | C13 | C16 | C12 | 111.4° | 115.5° |
| C17 | C13 | C3 | C12 | 117.6° | 121.5° |
| C17 | C13 | C3 | C2 | 162.4° | 118.0° |
| C17 | C13 | C12 | C11 | 174.5° | 93.2° |
| C17 | C13 | C12 | H8 | 54.0° | 28.3° |
| C17 | C13 | C12 | H9 | 64.9° | 145.4° |
| C17 | C13 | C16 | H16 | 180.0° | 65.1° |
| C17 | C13 | C16 | H17 | 60.0° | 54.9° |
| C17 | C13 | C16 | H18 | 60.0° | 174.9° |
| C13 | C17 | H19 | H20 | 120.0° | 120.0° |
| C13 | C17 | H19 | H21 | 120.0° | 120.0° |
| C13 | C17 | H20 | H21 | 120.0° | 120.0° |
| C5 | C4 | C3 | C13 | 178.1° | 176.4° |
| C5 | C4 | C3 | C2 | 0.5° | 1.4° |
| C4 | C5 | C6 | C1 | 3.9° | 1.0° |
| C4 | C5 | C6 | H5 | 176.1° | 178.5° |
| C4 | C5 | C14 | H10 | 90.6° | 83.5° |
| C4 | C5 | C14 | H11 | 149.4° | 36.6° |
| C4 | C5 | C14 | H12 | 29.4° | 156.6° |
| C5 | C4 | C15 | H13 | 91.1° | 58.5° |
| C5 | C4 | C15 | H14 | 148.9° | 178.5° |
| C5 | C4 | C15 | H15 | 28.9° | 61.5° |
| C3 | C4 | C5 | C6 | 0.7° | 0.5° |
| C4 | C3 | C13 | C16 | 103.6° | 62.0° |
| C4 | C3 | C13 | C2 | 178.7° | 177.7° |
| C4 | C3 | C13 | C12 | 136.5° | 178.8° |
| C4 | C3 | C2 | C1 | 1.6° | 2.8° |
| C4 | C3 | C2 | N2 | 177.0° | 176.5° |
| C3 | C4 | C15 | H13 | 91.2° | 121.4° |
| C3 | C4 | C15 | H14 | 28.8° | 1.4° |
| C3 | C4 | C15 | H15 | 148.8° | 118.6° |
| C5 | C6 | C1 | H5 | 180.0° | 179.4° |
| C5 | C6 | C1 | C2 | 5.9° | 0.5° |
| C5 | C6 | C1 | N1 | 176.4° | 179.1° |
| C6 | C5 | C14 | H10 | 90.6° | 96.5° |
| C6 | C5 | C14 | H11 | 29.4° | 143.4° |
| C6 | C5 | C14 | H12 | 149.4° | 23.5° |
| C16 | C13 | C3 | C12 | 119.8° | 116.8° |
| C16 | C13 | C3 | C2 | 75.1° | 120.3° |
| C16 | C13 | C12 | C11 | 60.7° | 150.3° |
| C16 | C13 | C12 | H8 | 59.8° | 88.2° |
| C16 | C13 | C12 | H9 | 178.8° | 28.9° |
| C13 | C16 | H16 | H17 | 120.0° | 120.0° |
| C13 | C16 | H16 | H18 | 120.0° | 120.0° |
| C13 | C16 | H17 | H18 | 120.0° | 120.0° |
| C16 | C13 | C17 | H19 | 180.0° | 53.8° |
| C16 | C13 | C17 | H20 | 60.0° | 173.8° |
| C16 | C13 | C17 | H21 | 60.0° | 66.2° |
| C3 | C13 | C12 | C11 | 58.6° | 30.6° |
| C13 | C3 | C2 | C1 | 179.6° | 174.9° |
| C13 | C3 | C2 | N2 | 4.2° | 5.8° |
| C3 | C13 | C12 | H8 | 179.1° | 152.2° |
| C3 | C13 | C12 | H9 | 61.9° | 90.8° |
| C3 | C13 | C16 | H16 | 50.8° | 58.3° |
| C3 | C13 | C16 | H17 | 69.2° | 178.3° |
| C3 | C13 | C16 | H18 | 170.8° | 61.7° |
| C3 | C13 | C17 | H19 | 56.6° | 68.4° |
| C3 | C13 | C17 | H20 | 176.6° | 51.6° |
| C3 | C13 | C17 | H21 | 63.4° | 171.5° |
| C12 | C13 | C3 | C2 | 44.8° | 3.5° |
| C13 | C12 | C11 | H8 | 120.5° | 120.8° |
| C13 | C12 | C11 | H9 | 120.5° | 120.7° |
| C13 | C12 | C11 | N2 | 30.5° | 60.5° |
| C13 | C12 | C11 | C24 | 151.5° | 54.5° |
| C13 | C12 | C11 | H7 | 88.0° | 178.8° |
| C13 | C12 | H8 | H9 | 118.3° | 117.3° |
| C12 | C13 | C16 | H16 | 68.6° | 179.3° |
| C12 | C13 | C16 | H17 | 171.4° | 60.6° |
| C12 | C13 | C16 | H18 | 51.4° | 59.3° |
| C12 | C13 | C17 | H19 | 64.2° | 167.6° |
| C12 | C13 | C17 | H20 | 55.8° | 72.3° |
| C12 | C13 | C17 | H21 | 175.8° | 47.6° |
| C3 | C2 | C1 | C6 | 4.7° | 2.4° |
| C3 | C2 | C1 | N2 | 175.4° | 179.3° |
| C3 | C2 | C1 | N1 | 177.6° | 177.1° |
| C3 | C2 | N2 | C11 | 27.1° | 34.0° |
| C3 | C2 | N2 | C8 | 171.3° | 144.6° |
| C6 | C1 | C2 | N1 | 177.7° | 179.6° |
| C6 | C1 | C2 | N2 | 179.9° | 176.9° |
| C6 | C1 | N1 | C18 | 11.8° | 15.5° |
| C6 | C1 | N1 | C7 | 172.8° | 163.5° |
| C12 | C11 | N2 | C2 | 12.6° | 60.6° |
| C12 | C11 | N2 | C24 | 128.4° | 125.4° |
| C12 | C11 | N2 | H7 | 118.4° | 119.7° |
| C12 | C11 | C24 | H7 | 120.7° | 124.2° |
| C12 | C11 | N2 | C8 | 161.4° | 178.9° |
| C12 | C11 | C24 | C23 | 141.0° | 164.0° |
| C11 | C12 | H8 | H9 | 118.4° | 119.4° |
| C12 | C11 | C24 | H33 | 99.4° | 78.6° |
| C12 | C11 | C24 | H34 | 21.4° | 47.1° |
| C1 | C2 | N2 | C11 | 148.3° | 146.7° |
| C1 | C2 | N2 | C8 | 4.1° | 36.1° |
| C2 | C1 | N1 | C18 | 170.5° | 164.9° |
| C2 | C1 | N1 | C7 | 4.8° | 16.1° |
| C2 | C1 | C6 | H5 | 174.1° | 179.9° |
| N2 | C2 | C1 | N1 | 2.3° | 3.5° |
| C2 | N2 | C11 | C8 | 148.8° | 118.3° |
| C2 | N2 | C11 | C24 | 115.8° | 64.8° |
| C2 | N2 | C8 | C7 | 15.7° | 48.5° |
| C2 | N2 | C8 | C23 | 111.4° | 74.7° |
| C2 | N2 | C8 | C10 | 141.3° | 170.1° |
| C2 | N2 | C11 | H7 | 131.0° | 179.7° |
| C1 | N1 | C18 | C7 | 175.5° | 179.0° |
| C1 | N1 | C18 | C19 | 106.4° | 89.1° |
| C1 | N1 | C7 | C8 | 17.1° | 0.7° |
| C1 | N1 | C7 | N3 | 166.0° | 179.2° |
| N1 | C1 | C6 | H5 | 3.5° | 0.3° |
| C1 | N1 | C18 | H22 | 132.9° | 30.9° |
| C1 | N1 | C18 | H23 | 14.4° | 151.0° |
| N2 | C11 | C24 | H7 | 113.9° | 115.9° |
| N2 | C11 | C24 | C23 | 15.5° | 44.1° |
| C11 | N2 | C8 | C7 | 164.8° | 164.5° |
| C11 | N2 | C8 | C23 | 37.8° | 41.3° |
| C11 | N2 | C8 | C10 | 69.6° | 73.9° |
| N2 | C11 | C12 | H8 | 151.0° | 178.7° |
| N2 | C11 | C12 | H9 | 90.0° | 60.2° |
| N2 | C11 | C24 | H33 | 135.2° | 161.5° |
| N2 | C11 | C24 | H34 | 104.0° | 72.7° |
| C24 | C11 | N2 | C8 | 33.1° | 53.5° |
| C11 | C24 | C23 | H33 | 119.6° | 118.0° |
| C11 | C24 | C23 | H34 | 119.6° | 118.6° |
| C11 | C24 | C23 | C8 | 6.0° | 18.6° |
| C11 | C24 | C23 | C25 | 124.6° | 139.4° |
| C24 | C11 | C12 | H8 | 87.9° | 66.3° |
| C24 | C11 | C12 | H9 | 31.0° | 175.2° |
| C11 | C24 | C23 | H32 | 117.9° | 98.6° |
| C11 | C24 | H33 | H34 | 121.1° | 126.1° |
| N2 | C8 | C7 | N1 | 21.8° | 31.2° |
| N2 | C8 | C23 | C24 | 26.3° | 13.5° |
| N2 | C8 | C7 | C23 | 122.6° | 118.4° |
| N2 | C8 | C7 | C10 | 126.5° | 123.0° |
| N2 | C8 | C23 | C10 | 115.7° | 118.2° |
| N2 | C8 | C7 | N3 | 161.3° | 148.9° |
| N2 | C8 | C10 | O2 | 25.5° | 31.8° |
| N2 | C8 | C23 | C25 | 101.0° | 106.7° |
| N2 | C8 | C10 | N4 | 161.7° | 147.1° |
| C8 | N2 | C11 | H7 | 80.2° | 61.4° |
| N2 | C8 | C23 | H32 | 138.4° | 130.5° |
| O3 | C19 | C18 | N1 | 61.8° | 60.0° |
| O3 | C19 | C18 | C20 | 123.0° | 120.0° |
| O3 | C19 | C18 | H24 | 118.3° | 120.0° |
| O3 | C19 | C20 | H24 | 120.2° | 120.0° |
| O3 | C19 | C20 | C21 | 48.5° | 60.0° |
| O3 | C19 | C20 | O5 | 170.2° | 180.0° |
| O3 | C19 | C18 | H22 | 177.5° | 180.0° |
| O3 | C19 | C18 | H23 | 59.0° | 60.0° |
| O3 | C19 | C20 | H26 | 72.0° | 60.0° |
| N1 | C18 | C19 | H22 | 120.8° | 120.1° |
| N1 | C18 | C19 | H23 | 120.8° | 119.9° |
| C18 | N1 | C7 | C8 | 158.2° | 179.7° |
| N1 | C18 | C19 | C20 | 175.2° | 180.0° |
| C18 | N1 | C7 | N3 | 18.7° | 0.2° |
| N1 | C18 | H22 | H23 | 117.7° | 120.0° |
| N1 | C18 | C19 | H24 | 56.5° | 60.0° |
| C7 | N1 | C18 | C19 | 78.1° | 89.9° |
| N1 | C7 | C8 | N3 | 176.9° | 179.9° |
| N1 | C7 | C8 | C23 | 100.7° | 87.2° |
| N1 | C7 | C8 | C10 | 148.3° | 154.3° |
| N1 | C7 | N3 | C9 | 162.4° | 172.1° |
| C7 | N1 | C18 | H22 | 42.6° | 150.0° |
| C7 | N1 | C18 | H23 | 161.1° | 30.0° |
| C24 | C23 | C8 | C7 | 153.5° | 135.5° |
| C24 | C23 | C8 | C25 | 127.3° | 120.1° |
| C24 | C23 | C8 | H32 | 112.1° | 117.0° |
| C24 | C23 | C8 | C10 | 89.4° | 104.8° |
| C24 | C23 | C25 | H32 | 117.5° | 121.5° |
| C23 | C24 | C11 | H7 | 98.3° | 71.8° |
| C23 | C24 | H33 | H34 | 121.1° | 122.4° |
| C24 | C23 | C25 | H35 | 180.0° | 175.9° |
| C24 | C23 | C25 | H36 | 60.0° | 64.1° |
| C24 | C23 | C25 | H37 | 60.0° | 56.0° |
| C18 | C19 | C20 | H24 | 118.8° | 120.0° |
| C18 | C19 | C20 | C21 | 169.6° | 180.0° |
| C18 | C19 | C20 | O5 | 68.7° | 60.0° |
| C19 | C18 | H22 | H23 | 117.7° | 120.0° |
| C18 | C19 | O3 | H25 | 180.0° | 60.0° |
| C18 | C19 | C20 | H26 | 49.0° | 60.0° |
| C7 | C8 | C23 | C10 | 117.1° | 119.7° |
| C7 | C8 | C10 | O2 | 153.7° | 155.0° |
| C7 | C8 | C23 | C25 | 26.2° | 15.4° |
| C7 | C8 | C10 | N4 | 33.5° | 23.9° |
| C8 | C7 | N3 | C9 | 20.8° | 8.0° |
| C7 | C8 | C23 | H32 | 94.4° | 107.4° |
| C23 | C8 | C7 | N3 | 76.2° | 92.7° |
| C23 | C8 | C10 | O2 | 85.9° | 82.4° |
| C8 | C23 | C25 | H32 | 120.4° | 122.6° |
| C23 | C8 | C10 | N4 | 86.9° | 98.7° |
| C8 | C23 | C24 | H33 | 113.6° | 136.6° |
| C8 | C23 | C24 | H34 | 125.6° | 100.0° |
| C8 | C23 | C25 | H35 | 57.9° | 60.0° |
| C8 | C23 | C25 | H36 | 177.9° | 180.0° |
| C8 | C23 | C25 | H37 | 62.1° | 59.9° |
| C10 | C8 | C7 | N3 | 34.8° | 25.8° |
| C8 | C10 | O2 | N4 | 172.3° | 178.9° |
| C10 | C8 | C23 | C25 | 143.3° | 135.1° |
| C8 | C10 | N4 | C9 | 23.4° | 4.7° |
| C8 | C10 | N4 | H6 | 156.6° | 173.5° |
| C10 | C8 | C23 | H32 | 22.7° | 12.2° |
| C19 | C20 | C21 | O5 | 118.8° | 120.0° |
| C19 | C20 | C21 | H26 | 120.5° | 120.0° |
| C19 | C20 | O5 | H26 | 116.9° | 120.0° |
| C19 | C20 | C21 | O4 | 171.5° | 60.0° |
| C19 | C20 | C21 | C22 | 51.5° | 180.0° |
| C20 | C19 | C18 | H22 | 54.5° | 59.9° |
| C20 | C19 | C18 | H23 | 64.0° | 60.0° |
| C20 | C19 | O3 | H25 | 57.0° | 60.0° |
| C19 | C20 | C21 | H27 | 69.6° | 60.0° |
| C19 | C20 | O5 | H29 | 180.0° | 60.0° |
| C7 | N3 | C9 | N4 | 5.5° | 15.3° |
| C7 | N3 | C9 | O1 | 172.0° | 166.3° |
| O2 | C10 | N4 | C9 | 163.3° | 174.2° |
| O2 | C10 | N4 | H6 | 16.6° | 7.5° |
| C25 | C23 | C24 | H33 | 115.8° | 102.6° |
| C25 | C23 | C24 | H34 | 5.0° | 20.8° |
| C23 | C25 | H35 | H36 | 120.0° | 120.0° |
| C23 | C25 | H35 | H37 | 120.0° | 119.9° |
| C23 | C25 | H36 | H37 | 120.0° | 120.0° |
| C21 | C20 | O5 | H26 | 119.9° | 120.0° |
| C20 | C21 | O4 | C22 | 123.4° | 120.1° |
| C20 | C21 | O4 | H27 | 117.8° | 120.0° |
| C20 | C21 | C22 | H27 | 121.0° | 120.0° |
| C20 | C21 | C22 | O6 | 173.1° | 175.0° |
| C21 | C20 | C19 | H24 | 71.7° | 60.0° |
| C20 | C21 | O4 | H28 | 180.0° | 60.0° |
| C21 | C20 | O5 | H29 | 56.8° | 60.0° |
| C20 | C21 | C22 | H30 | 53.3° | 55.0° |
| C20 | C21 | C22 | H31 | 67.2° | 65.0° |
| O5 | C20 | C21 | O4 | 52.7° | 180.0° |
| O5 | C20 | C21 | C22 | 67.4° | 60.0° |
| O5 | C20 | C19 | H24 | 50.0° | 60.0° |
| O5 | C20 | C21 | H27 | 171.5° | 60.0° |
| O4 | C21 | C22 | H27 | 119.6° | 120.0° |
| O4 | C21 | C22 | O6 | 67.5° | 65.0° |
| O4 | C21 | C20 | H26 | 67.9° | 60.0° |
| O4 | C21 | C22 | H30 | 172.8° | 175.0° |
| O4 | C21 | C22 | H31 | 52.2° | 55.0° |
| C21 | C22 | O6 | H30 | 119.7° | 120.0° |
| C21 | C22 | O6 | H31 | 119.7° | 120.0° |
| C21 | C22 | O6 | P1 | 114.7° | 180.0° |
| C22 | C21 | C20 | H26 | 172.0° | 60.0° |
| C22 | C21 | O4 | H28 | 56.6° | 60.0° |
| C21 | C22 | H30 | H31 | 120.8° | 120.0° |
| C10 | N4 | C9 | N3 | 7.9° | 16.7° |
| C10 | N4 | C9 | H6 | 180.0° | 178.2° |
| C10 | N4 | C9 | O1 | 169.8° | 164.8° |
| C22 | O6 | P1 | O7 | 166.7° | 55.0° |
| C22 | O6 | P1 | O9 | 73.6° | 175.0° |
| C22 | O6 | P1 | O8 | 48.4° | 65.0° |
| O6 | C22 | C21 | H27 | 52.1° | 55.0° |
| O6 | C22 | H30 | H31 | 120.8° | 120.0° |
| O6 | P1 | O7 | O9 | 115.6° | 120.1° |
| O6 | P1 | O7 | O8 | 112.4° | 120.0° |
| O6 | P1 | O9 | O8 | 116.8° | 120.0° |
| O6 | P1 | O9 | H1 | 111.3° | 180.0° |
| O6 | P1 | O8 | H3 | 109.6° | 60.0° |
| P1 | O6 | C22 | H30 | 125.5° | 60.0° |
| P1 | O6 | C22 | H31 | 5.0° | 60.0° |
| N3 | C9 | N4 | O1 | 177.7° | 178.4° |
| N3 | C9 | N4 | H6 | 172.1° | 165.1° |
| O7 | P1 | O9 | O8 | 131.9° | 120.0° |
| O7 | P1 | O9 | H1 | 0.0° | 59.9° |
| O7 | P1 | O8 | H3 | 0.0° | 179.9° |
| O1 | C9 | N4 | H6 | 10.2° | 13.4° |
| O9 | P1 | O8 | H3 | 132.1° | 60.1° |
| O8 | P1 | O9 | H1 | 131.9° | 60.0° |
| H7 | C11 | C12 | H8 | 32.5° | 58.0° |
| H7 | C11 | C12 | H9 | 151.4° | 60.5° |
| H7 | C11 | C24 | H33 | 21.3° | 45.6° |
| H7 | C11 | C24 | H34 | 142.1° | 171.4° |
| H10 | C14 | H11 | H12 | 120.0° | 120.0° |
| H13 | C15 | H14 | H15 | 120.0° | 120.1° |
| H16 | C16 | H17 | H18 | 120.0° | 120.0° |
| H19 | C17 | H20 | H21 | 120.0° | 120.0° |
| H22 | C18 | C19 | H24 | 64.2° | 60.0° |
| H23 | C18 | C19 | H24 | 177.3° | 180.0° |
| H24 | C19 | O3 | H25 | 62.5° | 180.0° |
| H24 | C19 | C20 | H26 | 167.8° | 180.0° |
| H26 | C20 | C21 | H27 | 50.9° | 180.0° |
| H26 | C20 | O5 | H29 | 63.1° | 180.0° |
| H27 | C21 | O4 | H28 | 62.2° | 180.0° |
| H27 | C21 | C22 | H30 | 67.6° | 65.0° |
| H27 | C21 | C22 | H31 | 171.8° | 175.0° |
| H32 | C23 | C24 | H33 | 1.7° | 19.4° |
| H32 | C23 | C24 | H34 | 122.5° | 142.8° |
| H32 | C23 | C25 | H35 | 62.5° | 62.6° |
| H32 | C23 | C25 | H36 | 57.5° | 57.4° |
| H32 | C23 | C25 | H37 | 177.5° | 177.5° |
| H35 | C25 | H36 | H37 | 120.0° | 120.0° |
