P52
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C18 | sing | 1.35Å | 1.44Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | N2 | sing | 1.46Å | 1.46Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | O4 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | C8 | sing | 1.53Å | 1.54Å | |
| N2 | C10 | sing | 1.35Å | 1.42Å | |
| C7 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C11 | P1 | sing | 1.82Å | 1.60Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.36Å | Aromatic |
| C10 | C12 | sing | 1.51Å | 1.52Å | |
| C10 | O3 | doub | 1.21Å | 1.22Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.36Å | |
| C9 | P1 | sing | 1.82Å | 1.78Å | |
| C9 | N1 | sing | 1.47Å | 1.29Å | |
| O1 | P1 | doub | 1.48Å | 1.46Å | |
| P1 | O2 | sing | 1.61Å | 1.46Å | |
| C20 | C22 | sing | 1.46Å | 1.44Å | Aromatic |
| C20 | C21 | doub | 1.34Å | 1.36Å | Aromatic |
| C24 | C22 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C26 | sing | 1.37Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.41Å | 1.41Å | Aromatic |
| C21 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | N3 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H8 | sing | 1.01Å | 1.00Å | |
| N1 | H9 | sing | 1.01Å | 1.00Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| N3 | H29 | sing | 0.97Å | 1.00Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.08Å | 1.08Å | |
| C24 | H33 | sing | 1.08Å | 1.08Å | |
| C25 | H34 | sing | 1.08Å | 1.08Å | |
| C26 | H35 | sing | 1.08Å | 1.08Å | |
| C27 | H36 | sing | 1.08Å | 1.08Å | |
| N4 | H37 | sing | 0.97Å | 1.00Å | |
| N4 | H38 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C18 | C17 | 119.8° | 120.1° |
| N4 | C18 | O4 | 118.5° | 120.0° |
| C18 | N4 | H37 | 120.0° | 120.0° |
| C18 | N4 | H38 | 120.0° | 120.1° |
| C18 | C17 | N2 | 111.5° | 109.5° |
| C18 | C17 | C19 | 110.4° | 109.4° |
| C17 | C18 | O4 | 120.3° | 120.0° |
| C18 | C17 | H28 | 107.8° | 109.4° |
| N2 | C17 | C19 | 110.7° | 109.5° |
| C17 | N2 | C10 | 156.8° | 120.0° |
| C17 | N2 | H18 | 101.6° | 120.0° |
| N2 | C17 | H28 | 108.6° | 109.5° |
| C17 | C19 | C20 | 114.1° | 109.4° |
| C19 | C17 | H28 | 107.7° | 109.4° |
| C17 | C19 | H30 | 108.3° | 109.4° |
| C17 | C19 | H31 | 108.3° | 109.5° |
| C2 | C1 | C8 | 108.5° | 109.5° |
| C1 | C2 | C7 | 117.0° | 120.0° |
| C1 | C2 | C3 | 125.0° | 120.0° |
| C2 | C1 | H2 | 109.7° | 109.5° |
| C2 | C1 | H3 | 109.7° | 109.5° |
| C1 | C8 | C9 | 111.2° | 109.5° |
| C8 | C1 | H2 | 109.7° | 109.5° |
| C8 | C1 | H3 | 109.7° | 109.5° |
| C1 | C8 | H12 | 109.1° | 109.5° |
| C1 | C8 | H13 | 109.0° | 109.5° |
| N2 | C10 | C12 | 120.1° | 120.1° |
| N2 | C10 | O3 | 118.6° | 120.0° |
| C10 | N2 | H18 | 101.6° | 120.0° |
| C2 | C7 | C6 | 123.0° | 120.0° |
| C7 | C2 | C3 | 118.0° | 120.0° |
| C2 | C7 | H11 | 118.5° | 120.0° |
| C7 | C6 | C5 | 118.5° | 120.0° |
| C7 | C6 | H7 | 120.8° | 120.0° |
| C6 | C7 | H11 | 118.5° | 120.0° |
| C2 | C3 | C4 | 118.5° | 120.0° |
| C2 | C3 | H4 | 120.7° | 120.0° |
| C12 | C13 | C14 | 113.8° | 109.5° |
| C13 | C12 | C11 | 109.6° | 109.5° |
| C13 | C12 | C10 | 110.8° | 109.5° |
| C13 | C12 | H17 | 106.9° | 109.4° |
| C12 | C13 | H19 | 108.4° | 109.4° |
| C12 | C13 | H20 | 108.4° | 109.5° |
| C13 | C14 | C15 | 114.2° | 109.5° |
| C13 | C14 | C16 | 108.7° | 109.5° |
| C14 | C13 | H19 | 108.4° | 109.5° |
| C14 | C13 | H20 | 108.4° | 109.5° |
| C13 | C14 | H21 | 108.3° | 109.5° |
| C12 | C11 | P1 | 110.2° | 109.5° |
| C11 | C12 | C10 | 114.9° | 109.5° |
| C12 | C11 | H15 | 109.3° | 109.4° |
| C12 | C11 | H16 | 109.3° | 109.5° |
| C11 | C12 | H17 | 106.9° | 109.5° |
| C11 | P1 | C9 | 108.7° | 109.5° |
| C11 | P1 | O1 | 108.9° | 109.5° |
| C11 | P1 | O2 | 109.4° | 109.5° |
| P1 | C11 | H15 | 109.3° | 109.5° |
| P1 | C11 | H16 | 109.3° | 109.5° |
| C15 | C14 | C16 | 108.6° | 109.4° |
| C15 | C14 | H21 | 108.5° | 109.5° |
| C14 | C15 | H22 | 109.5° | 109.5° |
| C14 | C15 | H23 | 109.5° | 109.5° |
| C14 | C15 | H24 | 109.5° | 109.4° |
| C6 | C5 | C4 | 118.0° | 120.1° |
| C6 | C5 | H6 | 121.0° | 120.0° |
| C5 | C6 | H7 | 120.7° | 120.0° |
| C19 | C20 | C22 | 127.0° | 126.6° |
| C19 | C20 | C21 | 126.8° | 126.4° |
| C20 | C19 | H30 | 108.3° | 109.4° |
| C20 | C19 | H31 | 108.3° | 109.5° |
| C3 | C4 | C5 | 124.0° | 120.0° |
| C4 | C3 | H4 | 120.7° | 120.0° |
| C3 | C4 | H5 | 118.0° | 120.0° |
| C5 | C4 | H5 | 118.0° | 120.1° |
| C4 | C5 | H6 | 121.0° | 120.0° |
| C12 | C10 | O3 | 121.3° | 120.0° |
| C10 | C12 | H17 | 107.3° | 109.5° |
| C16 | C14 | H21 | 108.5° | 109.5° |
| C14 | C16 | H25 | 109.5° | 109.5° |
| C14 | C16 | H26 | 109.5° | 109.5° |
| C14 | C16 | H27 | 109.5° | 109.5° |
| C8 | C9 | P1 | 110.8° | 109.5° |
| C8 | C9 | N1 | 112.1° | 109.5° |
| C9 | C8 | H12 | 109.0° | 109.4° |
| C9 | C8 | H13 | 109.0° | 109.5° |
| C8 | C9 | H14 | 108.1° | 109.4° |
| P1 | C9 | N1 | 112.5° | 109.5° |
| C9 | P1 | O1 | 107.7° | 109.5° |
| C9 | P1 | O2 | 111.0° | 109.5° |
| P1 | C9 | H14 | 103.7° | 109.4° |
| C9 | N1 | H8 | 109.5° | 111.0° |
| C9 | N1 | H9 | 109.5° | 111.0° |
| N1 | C9 | H14 | 109.2° | 109.5° |
| O1 | P1 | O2 | 111.0° | 109.5° |
| P1 | O2 | H1 | 109.5° | 114.0° |
| C22 | C20 | C21 | 106.1° | 107.0° |
| C20 | C22 | C24 | 134.0° | 134.0° |
| C20 | C22 | C23 | 107.3° | 106.0° |
| C20 | C21 | N3 | 110.1° | 109.9° |
| C20 | C21 | H32 | 125.0° | 125.1° |
| C22 | C24 | C26 | 118.7° | 119.8° |
| C24 | C22 | C23 | 118.7° | 120.0° |
| C22 | C24 | H33 | 120.7° | 120.2° |
| C24 | C26 | C27 | 121.0° | 120.5° |
| C26 | C24 | H33 | 120.7° | 120.1° |
| C24 | C26 | H35 | 119.5° | 119.8° |
| C22 | C23 | N3 | 107.4° | 107.1° |
| C22 | C23 | C25 | 122.6° | 119.3° |
| C21 | N3 | C23 | 109.1° | 109.9° |
| C21 | N3 | H29 | 125.5° | 125.0° |
| N3 | C21 | H32 | 124.9° | 125.1° |
| C26 | C27 | C25 | 121.5° | 120.7° |
| C27 | C26 | H35 | 119.5° | 119.7° |
| C26 | C27 | H36 | 119.3° | 119.7° |
| N3 | C23 | C25 | 130.0° | 133.5° |
| C23 | N3 | H29 | 125.4° | 125.1° |
| C23 | C25 | C27 | 117.4° | 119.8° |
| C23 | C25 | H34 | 121.3° | 120.1° |
| C27 | C25 | H34 | 121.3° | 120.1° |
| C25 | C27 | H36 | 119.2° | 119.6° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H8 | N1 | H9 | 109.4° | 111.0° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.4° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H22 | C15 | H24 | 109.5° | 109.5° |
| H23 | C15 | H24 | 109.5° | 109.4° |
| H25 | C16 | H26 | 109.4° | 109.4° |
| H25 | C16 | H27 | 109.5° | 109.5° |
| H26 | C16 | H27 | 109.5° | 109.5° |
| H30 | C19 | H31 | 109.4° | 109.5° |
| H37 | N4 | H38 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C18 | C17 | O4 | 166.2° | 180.0° |
| N4 | C18 | C17 | N2 | 145.3° | 159.4° |
| N4 | C18 | C17 | C19 | 91.2° | 80.5° |
| N4 | C18 | C17 | H28 | 26.1° | 39.4° |
| C18 | N4 | H37 | H38 | 180.0° | 180.0° |
| C18 | C17 | N2 | C19 | 123.3° | 120.0° |
| C18 | C17 | N2 | H28 | 118.6° | 119.9° |
| C18 | C17 | C19 | H28 | 117.4° | 119.9° |
| C18 | C17 | N2 | C10 | 80.2° | 89.4° |
| C18 | C17 | C19 | C20 | 59.1° | 175.0° |
| C18 | C17 | N2 | H18 | 99.8° | 90.7° |
| C18 | C17 | C19 | H30 | 61.5° | 65.1° |
| C18 | C17 | C19 | H31 | 179.8° | 54.9° |
| C17 | C18 | N4 | H37 | 166.4° | 0.0° |
| C17 | C18 | N4 | H38 | 13.5° | 180.0° |
| N2 | C17 | C19 | H28 | 118.6° | 120.1° |
| N2 | C17 | C18 | O4 | 20.9° | 20.6° |
| C17 | N2 | C10 | H18 | 180.0° | 179.9° |
| N2 | C17 | C19 | C20 | 64.9° | 65.0° |
| C17 | N2 | C10 | C12 | 124.2° | 175.0° |
| C17 | N2 | C10 | O3 | 55.6° | 5.0° |
| N2 | C17 | C19 | H30 | 174.5° | 54.9° |
| N2 | C17 | C19 | H31 | 55.8° | 175.0° |
| C19 | C17 | C18 | O4 | 102.5° | 99.5° |
| C19 | C17 | N2 | C10 | 43.2° | 150.6° |
| C17 | C19 | C20 | H30 | 120.7° | 119.9° |
| C17 | C19 | C20 | H31 | 120.7° | 120.1° |
| C17 | C19 | C20 | C22 | 84.9° | 84.9° |
| C17 | C19 | C20 | C21 | 95.5° | 95.0° |
| C19 | C17 | N2 | H18 | 136.9° | 29.3° |
| C17 | C19 | H30 | H31 | 117.9° | 120.0° |
| O4 | C18 | C17 | H28 | 140.1° | 140.6° |
| O4 | C18 | N4 | H37 | 0.0° | 180.0° |
| O4 | C18 | N4 | H38 | 180.0° | 0.0° |
| C2 | C1 | C8 | H2 | 119.9° | 120.0° |
| C2 | C1 | C8 | H3 | 119.8° | 120.0° |
| C1 | C2 | C7 | C3 | 178.3° | 179.7° |
| C1 | C2 | C7 | C6 | 178.7° | 179.7° |
| C1 | C2 | C3 | C4 | 178.4° | 180.0° |
| C2 | C1 | C8 | C9 | 178.5° | 180.0° |
| C2 | C1 | H2 | H3 | 120.4° | 120.0° |
| C1 | C2 | C3 | H4 | 1.6° | 0.0° |
| C1 | C2 | C7 | H11 | 1.3° | 0.0° |
| C2 | C1 | C8 | H12 | 61.3° | 60.0° |
| C2 | C1 | C8 | H13 | 58.2° | 60.0° |
| C8 | C1 | C2 | C7 | 120.7° | 90.3° |
| C8 | C1 | C2 | C3 | 57.5° | 90.0° |
| C1 | C8 | C9 | H12 | 120.3° | 120.0° |
| C1 | C8 | C9 | H13 | 120.3° | 120.0° |
| C1 | C8 | C9 | P1 | 124.5° | 60.0° |
| C1 | C8 | C9 | N1 | 108.9° | 180.0° |
| C8 | C1 | H2 | H3 | 120.4° | 120.0° |
| C1 | C8 | H12 | H13 | 119.2° | 120.0° |
| C1 | C8 | C9 | H14 | 11.5° | 60.0° |
| N2 | C10 | C12 | C13 | 16.7° | 72.9° |
| N2 | C10 | C12 | C11 | 108.1° | 167.1° |
| N2 | C10 | C12 | O3 | 179.7° | 180.0° |
| N2 | C10 | C12 | H17 | 133.1° | 47.0° |
| C10 | N2 | C17 | H28 | 161.2° | 30.6° |
| C2 | C7 | C6 | H11 | 180.0° | 179.7° |
| C2 | C7 | C6 | C5 | 0.2° | 0.6° |
| C7 | C2 | C3 | C4 | 0.2° | 0.3° |
| C7 | C2 | C1 | H2 | 0.9° | 29.7° |
| C7 | C2 | C1 | H3 | 119.4° | 149.7° |
| C7 | C2 | C3 | H4 | 179.8° | 179.7° |
| C2 | C7 | C6 | H7 | 179.7° | 179.7° |
| C6 | C7 | C2 | C3 | 0.3° | 0.6° |
| C7 | C6 | C5 | H7 | 180.0° | 179.7° |
| C7 | C6 | C5 | C4 | 0.0° | 0.3° |
| C7 | C6 | C5 | H6 | 180.0° | 179.8° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C3 | C2 | C1 | H2 | 177.4° | 150.0° |
| C3 | C2 | C1 | H3 | 62.3° | 30.0° |
| C2 | C3 | C4 | H5 | 180.0° | 180.0° |
| C3 | C2 | C7 | H11 | 179.6° | 179.7° |
| C12 | C13 | C14 | H19 | 120.6° | 120.0° |
| C12 | C13 | C14 | H20 | 120.6° | 120.0° |
| C13 | C12 | C11 | C10 | 125.4° | 120.0° |
| C13 | C12 | C11 | H17 | 115.6° | 119.9° |
| C13 | C12 | C11 | P1 | 133.2° | 96.2° |
| C12 | C13 | C14 | C15 | 161.8° | 176.9° |
| C13 | C12 | C10 | H17 | 116.4° | 119.9° |
| C13 | C12 | C10 | O3 | 163.0° | 107.0° |
| C12 | C13 | C14 | C16 | 40.4° | 63.2° |
| C13 | C12 | C11 | H15 | 106.7° | 143.8° |
| C13 | C12 | C11 | H16 | 13.1° | 23.8° |
| C12 | C13 | H19 | H20 | 118.0° | 120.0° |
| C12 | C13 | C14 | H21 | 77.3° | 56.8° |
| C14 | C13 | C12 | C11 | 102.7° | 69.5° |
| C13 | C14 | C15 | C16 | 121.4° | 120.0° |
| C13 | C14 | C15 | H21 | 120.9° | 120.0° |
| C14 | C13 | C12 | C10 | 129.5° | 170.5° |
| C13 | C14 | C16 | H21 | 117.6° | 120.0° |
| C14 | C13 | C12 | H17 | 12.9° | 50.5° |
| C14 | C13 | H19 | H20 | 118.1° | 120.0° |
| C13 | C14 | C15 | H22 | 180.0° | 60.0° |
| C13 | C14 | C15 | H23 | 60.0° | 180.0° |
| C13 | C14 | C15 | H24 | 60.0° | 60.0° |
| C13 | C14 | C16 | H25 | 180.0° | 174.7° |
| C13 | C14 | C16 | H26 | 60.0° | 54.7° |
| C13 | C14 | C16 | H27 | 60.0° | 65.3° |
| C12 | C11 | P1 | H15 | 120.1° | 119.9° |
| C12 | C11 | P1 | H16 | 120.1° | 120.0° |
| C11 | C12 | C10 | H17 | 118.8° | 120.0° |
| C11 | C12 | C10 | O3 | 72.2° | 13.0° |
| C12 | C11 | P1 | C9 | 120.4° | 173.1° |
| C12 | C11 | P1 | O1 | 122.5° | 66.9° |
| C12 | C11 | P1 | O2 | 1.0° | 53.1° |
| C12 | C11 | H15 | H16 | 119.7° | 120.0° |
| C11 | C12 | C13 | H19 | 18.0° | 50.6° |
| C11 | C12 | C13 | H20 | 136.7° | 170.5° |
| P1 | C11 | C12 | C10 | 101.4° | 143.7° |
| C11 | P1 | C9 | C8 | 60.9° | 180.0° |
| C11 | P1 | C9 | O1 | 117.9° | 120.0° |
| C11 | P1 | C9 | O2 | 120.4° | 120.0° |
| C11 | P1 | C9 | N1 | 172.7° | 60.0° |
| C11 | P1 | O1 | O2 | 120.5° | 120.0° |
| C11 | P1 | O2 | H1 | 120.2° | 60.0° |
| C11 | P1 | C9 | H14 | 54.9° | 60.0° |
| P1 | C11 | H15 | H16 | 119.6° | 120.0° |
| P1 | C11 | C12 | H17 | 17.6° | 23.7° |
| C15 | C14 | C16 | H21 | 117.7° | 120.0° |
| C15 | C14 | C13 | H19 | 41.1° | 56.9° |
| C15 | C14 | C13 | H20 | 77.6° | 63.1° |
| C14 | C15 | H22 | H23 | 120.0° | 120.1° |
| C14 | C15 | H22 | H24 | 120.0° | 120.0° |
| C14 | C15 | H23 | H24 | 120.0° | 120.0° |
| C15 | C14 | C16 | H25 | 55.3° | 54.7° |
| C15 | C14 | C16 | H26 | 175.3° | 65.2° |
| C15 | C14 | C16 | H27 | 64.7° | 174.7° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C6 | C5 | C4 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | H5 | 179.9° | 180.0° |
| C5 | C6 | C7 | H11 | 179.8° | 179.7° |
| C19 | C20 | C22 | C21 | 179.6° | 180.0° |
| C19 | C20 | C22 | C24 | 0.9° | 0.1° |
| C19 | C20 | C22 | C23 | 180.0° | 180.0° |
| C19 | C20 | C21 | N3 | 179.8° | 179.8° |
| C20 | C19 | C17 | H28 | 176.5° | 55.1° |
| C20 | C19 | H30 | H31 | 117.8° | 120.1° |
| C19 | C20 | C21 | H32 | 0.2° | 0.2° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C3 | C4 | C5 | H6 | 179.9° | 179.9° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | H7 | 180.0° | 180.0° |
| C10 | C12 | C11 | H15 | 18.7° | 23.8° |
| C10 | C12 | C11 | H16 | 138.5° | 96.2° |
| C12 | C10 | N2 | H18 | 55.8° | 5.0° |
| C10 | C12 | C13 | H19 | 109.8° | 69.5° |
| C10 | C12 | C13 | H20 | 8.9° | 50.4° |
| O3 | C10 | C12 | H17 | 46.6° | 133.0° |
| O3 | C10 | N2 | H18 | 124.4° | 175.0° |
| C16 | C14 | C13 | H19 | 80.2° | 176.9° |
| C16 | C14 | C13 | H20 | 161.1° | 56.9° |
| C16 | C14 | C15 | H22 | 58.6° | 60.0° |
| C16 | C14 | C15 | H23 | 61.4° | 60.0° |
| C16 | C14 | C15 | H24 | 178.6° | 180.0° |
| C14 | C16 | H25 | H26 | 120.0° | 120.0° |
| C14 | C16 | H25 | H27 | 120.0° | 120.0° |
| C14 | C16 | H26 | H27 | 120.0° | 120.0° |
| C8 | C9 | P1 | N1 | 126.4° | 120.1° |
| C8 | C9 | P1 | H14 | 115.8° | 120.0° |
| C8 | C9 | N1 | H14 | 119.8° | 120.0° |
| C8 | C9 | P1 | O1 | 178.8° | 60.0° |
| C8 | C9 | P1 | O2 | 59.5° | 60.0° |
| C9 | C8 | C1 | H2 | 58.6° | 60.0° |
| C9 | C8 | C1 | H3 | 61.7° | 60.0° |
| C8 | C9 | N1 | H8 | 180.0° | 176.0° |
| C8 | C9 | N1 | H9 | 60.0° | 60.0° |
| C9 | C8 | H12 | H13 | 119.2° | 120.0° |
| P1 | C9 | N1 | H14 | 114.5° | 120.0° |
| C9 | P1 | O1 | O2 | 121.8° | 120.0° |
| C9 | P1 | O2 | H1 | 119.8° | 60.0° |
| P1 | C9 | N1 | H8 | 54.3° | 64.0° |
| P1 | C9 | N1 | H9 | 65.7° | 60.0° |
| P1 | C9 | C8 | H12 | 4.3° | 60.0° |
| P1 | C9 | C8 | H13 | 115.2° | 180.0° |
| C9 | P1 | C11 | H15 | 0.3° | 53.1° |
| C9 | P1 | C11 | H16 | 119.5° | 66.9° |
| N1 | C9 | P1 | O1 | 54.9° | 60.0° |
| N1 | C9 | P1 | O2 | 66.9° | 180.0° |
| C9 | N1 | H8 | H9 | 120.0° | 124.0° |
| N1 | C9 | C8 | H12 | 130.8° | 60.0° |
| N1 | C9 | C8 | H13 | 11.4° | 60.0° |
| O1 | P1 | O2 | H1 | 0.0° | 180.0° |
| O1 | P1 | C9 | H14 | 63.0° | 180.0° |
| O1 | P1 | C11 | H15 | 117.4° | 173.1° |
| O1 | P1 | C11 | H16 | 2.4° | 53.1° |
| O2 | P1 | C9 | H14 | 175.3° | 60.0° |
| O2 | P1 | C11 | H15 | 121.1° | 66.9° |
| O2 | P1 | C11 | H16 | 119.1° | 173.1° |
| C20 | C22 | C24 | C23 | 179.1° | 180.0° |
| C20 | C22 | C24 | C26 | 179.8° | 180.0° |
| C22 | C20 | C21 | N3 | 0.2° | 0.1° |
| C20 | C22 | C23 | N3 | 0.5° | 0.1° |
| C20 | C22 | C23 | C25 | 179.7° | 180.0° |
| C22 | C20 | C19 | H30 | 35.8° | 35.0° |
| C22 | C20 | C19 | H31 | 154.4° | 155.0° |
| C22 | C20 | C21 | H32 | 179.8° | 179.9° |
| C20 | C22 | C24 | H33 | 0.1° | 0.0° |
| C21 | C20 | C22 | C24 | 179.5° | 180.0° |
| C21 | C20 | C22 | C23 | 0.4° | 0.0° |
| C20 | C21 | N3 | H32 | 180.0° | 180.0° |
| C20 | C21 | N3 | C23 | 0.1° | 0.2° |
| C20 | C21 | N3 | H29 | 179.9° | 180.0° |
| C21 | C20 | C19 | H30 | 143.7° | 145.1° |
| C21 | C20 | C19 | H31 | 25.2° | 25.1° |
| C22 | C24 | C26 | H33 | 180.0° | 180.0° |
| C22 | C24 | C26 | C27 | 0.7° | 0.0° |
| C24 | C22 | C23 | N3 | 179.7° | 179.9° |
| C24 | C22 | C23 | C25 | 0.4° | 0.0° |
| C22 | C24 | C26 | H35 | 179.3° | 179.9° |
| C26 | C24 | C22 | C23 | 0.8° | 0.0° |
| C24 | C26 | C27 | H35 | 180.0° | 179.9° |
| C24 | C26 | C27 | C25 | 0.4° | 0.0° |
| C24 | C26 | C27 | H36 | 179.6° | 180.0° |
| C22 | C23 | N3 | C21 | 0.4° | 0.2° |
| C22 | C23 | N3 | C25 | 179.8° | 179.8° |
| C22 | C23 | C25 | C27 | 0.1° | 0.0° |
| C22 | C23 | N3 | H29 | 179.6° | 180.0° |
| C23 | C22 | C24 | H33 | 179.2° | 180.0° |
| C22 | C23 | C25 | H34 | 179.9° | 180.0° |
| C21 | N3 | C23 | H29 | 180.0° | 179.8° |
| C21 | N3 | C23 | C25 | 179.9° | 180.0° |
| C26 | C27 | C25 | C23 | 0.0° | 0.1° |
| C26 | C27 | C25 | H36 | 180.0° | 180.0° |
| C27 | C26 | C24 | H33 | 179.2° | 180.0° |
| C26 | C27 | C25 | H34 | 180.0° | 180.0° |
| N3 | C23 | C25 | C27 | 179.8° | 179.9° |
| C23 | N3 | C21 | H32 | 179.9° | 179.8° |
| N3 | C23 | C25 | H34 | 0.2° | 0.2° |
| C23 | C25 | C27 | H34 | 180.0° | 179.9° |
| C25 | C23 | N3 | H29 | 0.2° | 0.2° |
| C23 | C25 | C27 | H36 | 180.0° | 180.0° |
| C25 | C27 | C26 | H35 | 179.7° | 179.9° |
| H2 | C1 | C8 | H12 | 178.9° | 179.9° |
| H2 | C1 | C8 | H13 | 61.7° | 60.1° |
| H3 | C1 | C8 | H12 | 58.6° | 60.0° |
| H3 | C1 | C8 | H13 | 178.0° | 180.0° |
| H4 | C3 | C4 | H5 | 0.0° | 0.1° |
| H5 | C4 | C5 | H6 | 0.1° | 0.0° |
| H6 | C5 | C6 | H7 | 0.0° | 0.1° |
| H7 | C6 | C7 | H11 | 0.3° | 0.0° |
| H8 | N1 | C9 | H14 | 60.3° | 56.0° |
| H9 | N1 | C9 | H14 | 179.8° | 180.0° |
| H12 | C8 | C9 | H14 | 108.8° | 180.0° |
| H13 | C8 | C9 | H14 | 131.8° | 60.0° |
| H15 | C11 | C12 | H17 | 137.7° | 96.3° |
| H16 | C11 | C12 | H17 | 102.5° | 143.7° |
| H17 | C12 | C13 | H19 | 133.5° | 170.5° |
| H17 | C12 | C13 | H20 | 107.7° | 69.5° |
| H18 | N2 | C17 | H28 | 18.8° | 149.4° |
| H19 | C13 | C14 | H21 | 162.1° | 63.2° |
| H20 | C13 | C14 | H21 | 43.3° | 176.9° |
| H21 | C14 | C15 | H22 | 59.1° | 180.0° |
| H21 | C14 | C15 | H23 | 179.1° | 60.0° |
| H21 | C14 | C15 | H24 | 60.9° | 60.0° |
| H21 | C14 | C16 | H25 | 62.4° | 65.3° |
| H21 | C14 | C16 | H26 | 57.6° | 174.7° |
| H21 | C14 | C16 | H27 | 177.6° | 54.7° |
| H22 | C15 | H23 | H24 | 120.0° | 120.0° |
| H25 | C16 | H26 | H27 | 120.0° | 120.0° |
| H28 | C17 | C19 | H30 | 55.9° | 175.0° |
| H28 | C17 | C19 | H31 | 62.8° | 65.0° |
| H29 | N3 | C21 | H32 | 0.2° | 0.0° |
| H33 | C24 | C26 | H35 | 0.8° | 0.1° |
| H34 | C25 | C27 | H36 | 0.0° | 0.1° |
| H35 | C26 | C27 | H36 | 0.3° | 0.1° |
