A1C2R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C22 | O7 | sing | 1.43Å | 1.43Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| O7 | P1 | sing | 1.61Å | 1.59Å | |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| O2 | C11 | doub | 1.21Å | 1.24Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | doub | 1.38Å | 1.37Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | O6 | sing | 1.45Å | 1.42Å | |
| C21 | C16 | sing | 1.53Å | 1.54Å | |
| N4 | P1 | sing | 1.71Å | 1.65Å | |
| N4 | C17 | sing | 1.47Å | 1.47Å | |
| N4 | C16 | sing | 1.48Å | 1.47Å | |
| P1 | O6 | sing | 1.64Å | 1.60Å | |
| P1 | O8 | doub | 1.48Å | 1.46Å | |
| C11 | N3 | sing | 1.34Å | 1.33Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| N3 | C12 | sing | 1.47Å | 1.46Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C15 | O5 | sing | 1.45Å | 1.44Å | |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C26 | C27 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | F1 | sing | 1.35Å | 1.36Å | |
| O5 | C1 | sing | 1.35Å | 1.35Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C13 | sing | 1.55Å | 1.53Å | |
| C12 | C13 | sing | 1.54Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | C4 | sing | 1.53Å | 1.51Å | |
| N1 | C2 | sing | 1.46Å | 1.45Å | |
| C2 | C7 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| N2 | C7 | sing | 1.35Å | 1.34Å | |
| N2 | C8 | sing | 1.46Å | 1.47Å | |
| C7 | O4 | doub | 1.21Å | 1.24Å | |
| C8 | C14 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C14 | O3 | doub | 1.21Å | 1.43Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C3 | H29 | sing | 1.09Å | 1.10Å | |
| C3 | H30 | sing | 1.09Å | 1.10Å | |
| C4 | H31 | sing | 1.09Å | 1.10Å | |
| C5 | H32 | sing | 1.09Å | 1.10Å | |
| C5 | H33 | sing | 1.09Å | 1.10Å | |
| C5 | H34 | sing | 1.09Å | 1.10Å | |
| C6 | H35 | sing | 1.09Å | 1.10Å | |
| C6 | H36 | sing | 1.09Å | 1.10Å | |
| C6 | H37 | sing | 1.09Å | 1.10Å | |
| C8 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.09Å | 1.10Å | |
| C9 | H40 | sing | 1.09Å | 1.10Å | |
| N1 | H41 | sing | 0.97Å | 1.00Å | |
| N2 | H42 | sing | 0.97Å | 1.00Å | |
| N3 | H43 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C20 | 110.7° | 109.5° |
| C19 | C18 | C17 | 111.6° | 109.4° |
| C19 | C18 | H13 | 107.7° | 109.5° |
| C18 | C19 | H14 | 109.5° | 109.4° |
| C18 | C19 | H15 | 109.5° | 109.5° |
| C18 | C19 | H16 | 109.5° | 109.5° |
| O7 | C22 | C23 | 113.6° | 109.5° |
| C22 | O7 | P1 | 125.3° | 123.0° |
| O7 | C22 | H23 | 108.4° | 109.4° |
| O7 | C22 | H24 | 108.5° | 109.5° |
| C22 | C23 | C24 | 120.1° | 119.9° |
| C22 | C23 | C28 | 121.6° | 120.0° |
| C23 | C22 | H23 | 108.4° | 109.5° |
| C23 | C22 | H24 | 108.4° | 109.5° |
| O7 | P1 | N4 | 108.3° | 111.0° |
| O7 | P1 | O6 | 109.1° | 111.0° |
| O7 | P1 | O8 | 113.0° | 110.9° |
| C23 | C24 | C25 | 121.3° | 120.0° |
| C24 | C23 | C28 | 118.2° | 120.1° |
| C23 | C24 | H25 | 119.4° | 120.1° |
| C24 | C25 | C26 | 118.2° | 120.0° |
| C25 | C24 | H25 | 119.3° | 119.9° |
| C24 | C25 | H26 | 120.9° | 120.0° |
| C23 | C28 | C27 | 121.2° | 120.0° |
| C23 | C28 | H28 | 119.4° | 119.9° |
| O2 | C11 | N3 | 125.9° | 124.9° |
| O2 | C11 | C10 | 125.7° | 124.9° |
| C20 | C18 | C17 | 111.5° | 109.5° |
| C20 | C18 | H13 | 107.6° | 109.5° |
| C18 | C20 | H18 | 109.5° | 109.5° |
| C18 | C20 | H19 | 109.5° | 109.5° |
| C18 | C20 | H20 | 109.5° | 109.5° |
| C18 | C17 | N4 | 114.1° | 109.5° |
| C18 | C17 | H11 | 108.3° | 109.5° |
| C18 | C17 | H12 | 108.3° | 109.5° |
| C17 | C18 | H13 | 107.5° | 109.5° |
| C25 | C26 | C27 | 122.8° | 119.9° |
| C25 | C26 | F1 | 118.6° | 120.1° |
| C26 | C25 | H26 | 120.9° | 120.0° |
| C28 | C27 | C26 | 118.3° | 120.0° |
| C28 | C27 | H27 | 120.9° | 120.0° |
| C27 | C28 | H28 | 119.4° | 120.0° |
| O6 | C21 | C16 | 104.3° | 108.8° |
| C21 | O6 | P1 | 110.9° | 101.7° |
| O6 | C21 | H21 | 110.8° | 109.7° |
| O6 | C21 | H22 | 110.8° | 109.6° |
| C21 | C16 | N4 | 99.7° | 109.4° |
| C21 | C16 | C15 | 111.9° | 109.5° |
| C21 | C16 | H10 | 109.0° | 109.5° |
| C16 | C21 | H21 | 110.8° | 109.7° |
| C16 | C21 | H22 | 110.7° | 109.6° |
| P1 | N4 | C17 | 123.0° | 111.0° |
| P1 | N4 | C16 | 106.0° | 103.2° |
| N4 | P1 | O6 | 95.8° | 101.4° |
| N4 | P1 | O8 | 117.2° | 111.1° |
| C17 | N4 | C16 | 117.7° | 111.0° |
| N4 | C17 | H11 | 108.3° | 109.4° |
| N4 | C17 | H12 | 108.3° | 109.4° |
| N4 | C16 | C15 | 116.6° | 109.4° |
| N4 | C16 | H10 | 109.8° | 109.4° |
| O6 | P1 | O8 | 112.0° | 111.1° |
| N3 | C11 | C10 | 108.3° | 110.1° |
| C11 | N3 | C12 | 114.2° | 111.3° |
| C11 | N3 | H43 | 122.9° | 124.4° |
| C11 | C10 | C9 | 114.8° | 110.5° |
| C11 | C10 | C13 | 103.9° | 104.2° |
| C11 | C10 | H1 | 108.1° | 110.7° |
| N3 | C12 | C13 | 103.6° | 105.5° |
| N3 | C12 | H2 | 110.9° | 110.2° |
| N3 | C12 | H3 | 110.9° | 110.3° |
| C12 | N3 | H43 | 122.9° | 124.3° |
| C16 | C15 | O5 | 104.9° | 109.5° |
| C16 | C15 | H8 | 110.6° | 109.4° |
| C16 | C15 | H9 | 110.6° | 109.5° |
| C15 | C16 | H10 | 109.4° | 109.5° |
| C15 | O5 | C1 | 116.1° | 117.0° |
| O5 | C15 | H8 | 110.6° | 109.5° |
| O5 | C15 | H9 | 110.6° | 109.5° |
| O1 | C1 | O5 | 124.8° | 120.0° |
| O1 | C1 | N1 | 124.9° | 120.0° |
| C27 | C26 | F1 | 118.6° | 120.0° |
| C26 | C27 | H27 | 120.9° | 120.0° |
| O5 | C1 | N1 | 110.1° | 120.0° |
| C1 | N1 | C2 | 120.9° | 120.0° |
| C1 | N1 | H41 | 119.5° | 120.0° |
| C9 | C10 | C13 | 114.0° | 110.5° |
| C10 | C9 | C8 | 113.1° | 109.5° |
| C9 | C10 | H1 | 107.9° | 110.4° |
| C10 | C9 | H39 | 108.5° | 109.4° |
| C10 | C9 | H40 | 108.5° | 109.5° |
| C10 | C13 | C12 | 103.9° | 101.7° |
| C13 | C10 | H1 | 107.9° | 110.5° |
| C10 | C13 | H4 | 110.9° | 110.9° |
| C10 | C13 | H5 | 110.8° | 111.0° |
| C13 | C12 | H2 | 110.9° | 110.2° |
| C13 | C12 | H3 | 110.9° | 110.3° |
| C12 | C13 | H4 | 110.8° | 111.0° |
| C12 | C13 | H5 | 110.8° | 110.9° |
| C9 | C8 | N2 | 109.9° | 109.5° |
| C9 | C8 | C14 | 111.3° | 109.5° |
| C9 | C8 | H38 | 108.4° | 109.5° |
| C8 | C9 | H39 | 108.5° | 109.5° |
| C8 | C9 | H40 | 108.6° | 109.5° |
| C6 | C4 | C3 | 112.4° | 109.5° |
| C6 | C4 | C5 | 111.1° | 109.5° |
| C6 | C4 | H31 | 107.3° | 109.5° |
| C4 | C6 | H35 | 109.5° | 109.4° |
| C4 | C6 | H36 | 109.5° | 109.5° |
| C4 | C6 | H37 | 109.5° | 109.5° |
| N1 | C2 | C7 | 109.5° | 109.5° |
| N1 | C2 | C3 | 108.4° | 109.5° |
| N1 | C2 | H17 | 110.3° | 109.5° |
| C2 | N1 | H41 | 119.6° | 120.0° |
| C7 | C2 | C3 | 110.1° | 109.5° |
| C2 | C7 | N2 | 116.5° | 120.0° |
| C2 | C7 | O4 | 120.0° | 120.0° |
| C7 | C2 | H17 | 109.2° | 109.5° |
| C2 | C3 | C4 | 115.0° | 109.5° |
| C3 | C2 | H17 | 109.2° | 109.5° |
| C2 | C3 | H29 | 108.0° | 109.5° |
| C2 | C3 | H30 | 108.1° | 109.5° |
| C7 | N2 | C8 | 124.8° | 120.0° |
| N2 | C7 | O4 | 123.5° | 120.0° |
| C7 | N2 | H42 | 117.6° | 120.0° |
| N2 | C8 | C14 | 109.4° | 109.5° |
| N2 | C8 | H38 | 109.3° | 109.5° |
| C8 | N2 | H42 | 117.6° | 120.0° |
| C8 | C14 | O3 | 113.3° | 120.0° |
| C8 | C14 | H6 | 123.3° | 120.0° |
| C14 | C8 | H38 | 108.6° | 109.5° |
| C3 | C4 | C5 | 111.4° | 109.5° |
| C4 | C3 | H29 | 108.1° | 109.5° |
| C4 | C3 | H30 | 108.1° | 109.4° |
| C3 | C4 | H31 | 107.1° | 109.4° |
| C5 | C4 | H31 | 107.1° | 109.4° |
| C4 | C5 | H32 | 109.5° | 109.5° |
| C4 | C5 | H33 | 109.5° | 109.5° |
| C4 | C5 | H34 | 109.5° | 109.5° |
| O3 | C14 | H6 | 123.4° | 120.0° |
| H2 | C12 | H3 | 109.5° | 110.2° |
| H4 | C13 | H5 | 109.5° | 110.9° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.4° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H14 | C19 | H16 | 109.4° | 109.4° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.4° |
| H18 | C20 | H20 | 109.4° | 109.4° |
| H19 | C20 | H20 | 109.4° | 109.5° |
| H21 | C21 | H22 | 109.4° | 109.4° |
| H23 | C22 | H24 | 109.5° | 109.4° |
| H29 | C3 | H30 | 109.5° | 109.4° |
| H32 | C5 | H33 | 109.5° | 109.5° |
| H32 | C5 | H34 | 109.4° | 109.4° |
| H33 | C5 | H34 | 109.5° | 109.5° |
| H35 | C6 | H36 | 109.5° | 109.5° |
| H35 | C6 | H37 | 109.5° | 109.5° |
| H36 | C6 | H37 | 109.5° | 109.5° |
| H39 | C9 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C20 | C17 | 124.9° | 120.0° |
| C19 | C18 | C20 | H13 | 117.4° | 120.0° |
| C19 | C18 | C17 | H13 | 117.8° | 120.0° |
| C19 | C18 | C17 | N4 | 92.4° | 175.4° |
| C19 | C18 | C17 | H11 | 28.3° | 64.6° |
| C19 | C18 | C17 | H12 | 146.9° | 55.4° |
| C18 | C19 | H14 | H15 | 120.0° | 120.0° |
| C18 | C19 | H14 | H16 | 120.0° | 120.0° |
| C18 | C19 | H15 | H16 | 120.0° | 120.0° |
| C19 | C18 | C20 | H18 | 180.0° | 175.0° |
| C19 | C18 | C20 | H19 | 60.0° | 55.0° |
| C19 | C18 | C20 | H20 | 60.0° | 65.1° |
| O7 | C22 | C23 | H23 | 120.6° | 120.0° |
| O7 | C22 | C23 | H24 | 120.6° | 120.0° |
| O7 | C22 | C23 | C24 | 145.1° | 89.7° |
| O7 | C22 | C23 | C28 | 35.7° | 90.0° |
| C22 | O7 | P1 | N4 | 58.8° | 75.0° |
| C22 | O7 | P1 | O6 | 162.0° | 173.0° |
| C22 | O7 | P1 | O8 | 72.8° | 49.0° |
| O7 | C22 | H23 | H24 | 118.1° | 120.0° |
| C23 | C22 | O7 | P1 | 50.6° | 180.0° |
| C22 | C23 | C24 | C28 | 179.3° | 179.7° |
| C22 | C23 | C24 | C25 | 179.8° | 180.0° |
| C22 | C23 | C28 | C27 | 179.7° | 179.8° |
| C23 | C22 | H23 | H24 | 118.1° | 120.0° |
| C22 | C23 | C24 | H25 | 0.2° | 0.1° |
| C22 | C23 | C28 | H28 | 0.3° | 0.0° |
| O7 | P1 | O6 | C21 | 108.8° | 83.2° |
| O7 | P1 | N4 | O6 | 112.3° | 118.0° |
| O7 | P1 | N4 | O8 | 129.3° | 123.9° |
| O7 | P1 | N4 | C17 | 81.0° | 141.6° |
| O7 | P1 | N4 | C16 | 139.5° | 99.4° |
| O7 | P1 | O6 | O8 | 125.9° | 123.9° |
| P1 | O7 | C22 | H23 | 171.2° | 60.0° |
| P1 | O7 | C22 | H24 | 70.0° | 59.9° |
| C23 | C24 | C25 | H25 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.3° | 0.1° |
| C24 | C23 | C28 | C27 | 1.0° | 0.5° |
| C24 | C23 | C22 | H23 | 94.3° | 30.3° |
| C24 | C23 | C22 | H24 | 24.4° | 150.3° |
| C23 | C24 | C25 | H26 | 179.7° | 180.0° |
| C24 | C23 | C28 | H28 | 178.9° | 179.7° |
| C25 | C24 | C23 | C28 | 1.0° | 0.3° |
| C24 | C25 | C26 | H26 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.4° | 0.1° |
| C24 | C25 | C26 | F1 | 179.5° | 180.0° |
| C23 | C28 | C27 | H28 | 180.0° | 179.8° |
| C23 | C28 | C27 | C26 | 0.4° | 0.5° |
| C28 | C23 | C22 | H23 | 84.9° | 150.0° |
| C28 | C23 | C22 | H24 | 156.4° | 30.0° |
| C28 | C23 | C24 | H25 | 179.0° | 179.8° |
| C23 | C28 | C27 | H27 | 179.6° | 179.8° |
| O2 | C11 | N3 | C10 | 177.6° | 179.9° |
| O2 | C11 | N3 | C12 | 176.0° | 179.5° |
| O2 | C11 | C10 | C9 | 43.4° | 45.1° |
| O2 | C11 | C10 | C13 | 168.5° | 163.8° |
| O2 | C11 | C10 | H1 | 77.1° | 77.5° |
| O2 | C11 | N3 | H43 | 4.0° | 0.5° |
| C20 | C18 | C17 | H13 | 117.7° | 120.0° |
| C20 | C18 | C17 | N4 | 143.1° | 64.6° |
| C20 | C18 | C17 | H11 | 96.1° | 55.4° |
| C20 | C18 | C17 | H12 | 22.5° | 175.4° |
| C20 | C18 | C19 | H14 | 180.0° | 60.0° |
| C20 | C18 | C19 | H15 | 60.0° | 180.0° |
| C20 | C18 | C19 | H16 | 60.0° | 60.0° |
| C18 | C20 | H18 | H19 | 120.0° | 120.0° |
| C18 | C20 | H18 | H20 | 120.0° | 120.0° |
| C18 | C20 | H19 | H20 | 120.0° | 120.1° |
| C18 | C17 | N4 | P1 | 141.5° | 143.1° |
| C18 | C17 | N4 | H11 | 120.7° | 120.0° |
| C18 | C17 | N4 | H12 | 120.7° | 120.0° |
| C18 | C17 | N4 | C16 | 83.2° | 102.7° |
| C18 | C17 | H11 | H12 | 117.9° | 120.1° |
| C17 | C18 | C19 | H14 | 55.1° | 180.0° |
| C17 | C18 | C19 | H15 | 175.1° | 60.0° |
| C17 | C18 | C19 | H16 | 64.9° | 60.0° |
| C17 | C18 | C20 | H18 | 55.1° | 65.0° |
| C17 | C18 | C20 | H19 | 64.9° | 175.0° |
| C17 | C18 | C20 | H20 | 175.1° | 54.9° |
| C25 | C26 | C27 | C28 | 0.3° | 0.3° |
| C25 | C26 | C27 | F1 | 179.9° | 179.9° |
| C26 | C25 | C24 | H25 | 179.7° | 180.0° |
| C25 | C26 | C27 | H27 | 179.7° | 179.9° |
| C28 | C27 | C26 | H27 | 180.0° | 179.7° |
| C28 | C27 | C26 | F1 | 179.6° | 179.8° |
| O6 | C21 | C16 | H21 | 119.2° | 119.9° |
| O6 | C21 | C16 | H22 | 119.2° | 119.9° |
| C21 | O6 | P1 | N4 | 2.9° | 34.9° |
| O6 | C21 | C16 | N4 | 47.0° | 28.6° |
| C21 | O6 | P1 | O8 | 125.3° | 153.0° |
| O6 | C21 | C16 | C15 | 170.9° | 148.6° |
| O6 | C21 | C16 | H10 | 67.9° | 91.3° |
| O6 | C21 | H21 | H22 | 122.4° | 120.3° |
| C21 | C16 | N4 | P1 | 45.3° | 3.6° |
| C21 | C16 | N4 | C17 | 172.6° | 122.6° |
| C21 | C16 | N4 | C15 | 120.6° | 120.0° |
| C21 | C16 | N4 | H10 | 114.3° | 120.0° |
| C16 | C21 | O6 | P1 | 30.4° | 39.5° |
| C21 | C16 | C15 | H10 | 120.9° | 120.1° |
| C21 | C16 | C15 | O5 | 70.2° | 54.2° |
| C21 | C16 | C15 | H8 | 170.5° | 65.7° |
| C21 | C16 | C15 | H9 | 49.0° | 174.3° |
| C16 | C21 | H21 | H22 | 122.4° | 120.2° |
| P1 | N4 | C17 | C16 | 135.3° | 114.2° |
| N4 | P1 | O6 | O8 | 122.5° | 118.1° |
| P1 | N4 | C16 | C15 | 165.9° | 123.6° |
| P1 | N4 | C16 | H10 | 69.0° | 116.4° |
| P1 | N4 | C17 | H11 | 20.8° | 23.1° |
| P1 | N4 | C17 | H12 | 97.8° | 96.9° |
| C17 | N4 | P1 | O6 | 166.7° | 100.4° |
| C17 | N4 | P1 | O8 | 48.3° | 17.7° |
| C17 | N4 | C16 | C15 | 52.0° | 117.4° |
| C17 | N4 | C16 | H10 | 73.1° | 2.6° |
| N4 | C17 | H11 | H12 | 117.9° | 119.9° |
| N4 | C17 | C18 | H13 | 25.4° | 55.4° |
| C16 | N4 | P1 | O6 | 27.1° | 18.6° |
| C16 | N4 | P1 | O8 | 91.2° | 136.7° |
| N4 | C16 | C15 | H10 | 125.3° | 120.0° |
| N4 | C16 | C15 | O5 | 176.0° | 65.7° |
| N4 | C16 | C15 | H8 | 56.7° | 174.3° |
| N4 | C16 | C15 | H9 | 64.7° | 54.3° |
| C16 | N4 | C17 | H11 | 156.1° | 137.3° |
| C16 | N4 | C17 | H12 | 37.5° | 17.3° |
| N4 | C16 | C21 | H21 | 72.2° | 148.6° |
| N4 | C16 | C21 | H22 | 166.2° | 91.3° |
| P1 | O6 | C21 | H21 | 88.8° | 159.5° |
| P1 | O6 | C21 | H22 | 149.6° | 80.3° |
| C11 | N3 | C12 | H43 | 180.0° | 180.0° |
| N3 | C11 | C10 | C9 | 139.0° | 134.9° |
| N3 | C11 | C10 | C13 | 13.9° | 16.3° |
| C11 | N3 | C12 | C13 | 16.4° | 17.1° |
| N3 | C11 | C10 | H1 | 100.5° | 102.4° |
| C11 | N3 | C12 | H2 | 102.6° | 136.0° |
| C11 | N3 | C12 | H3 | 135.5° | 102.1° |
| C10 | C11 | N3 | C12 | 1.6° | 0.4° |
| C11 | C10 | C9 | C13 | 119.7° | 114.8° |
| C11 | C10 | C9 | H1 | 120.5° | 122.8° |
| C11 | C10 | C13 | H1 | 114.6° | 118.9° |
| C11 | C10 | C13 | C12 | 22.9° | 24.8° |
| C11 | C10 | C9 | C8 | 178.2° | 179.6° |
| C11 | C10 | C13 | H4 | 96.2° | 93.3° |
| C11 | C10 | C13 | H5 | 142.0° | 142.9° |
| C11 | C10 | C9 | H39 | 61.3° | 60.3° |
| C11 | C10 | C9 | H40 | 57.7° | 59.6° |
| C10 | C11 | N3 | H43 | 178.4° | 179.6° |
| N3 | C12 | C13 | C10 | 23.6° | 25.5° |
| N3 | C12 | C13 | H2 | 119.0° | 119.0° |
| N3 | C12 | C13 | H3 | 119.1° | 119.1° |
| N3 | C12 | H2 | H3 | 122.7° | 122.0° |
| N3 | C12 | C13 | H4 | 95.5° | 92.6° |
| N3 | C12 | C13 | H5 | 142.8° | 143.5° |
| C16 | C15 | O5 | H8 | 119.3° | 119.9° |
| C16 | C15 | O5 | H9 | 119.3° | 120.1° |
| C16 | C15 | O5 | C1 | 179.7° | 180.0° |
| C16 | C15 | H8 | H9 | 122.1° | 120.0° |
| C15 | C16 | C21 | H21 | 51.7° | 91.4° |
| C15 | C16 | C21 | H22 | 69.9° | 28.7° |
| C15 | O5 | C1 | O1 | 4.2° | 0.3° |
| C15 | O5 | C1 | N1 | 171.0° | 180.0° |
| O5 | C15 | H8 | H9 | 122.1° | 120.1° |
| O5 | C15 | C16 | H10 | 50.7° | 174.3° |
| O1 | C1 | O5 | N1 | 175.3° | 179.7° |
| O1 | C1 | N1 | C2 | 4.4° | 5.0° |
| O1 | C1 | N1 | H41 | 175.7° | 175.0° |
| C27 | C26 | C25 | H26 | 179.7° | 180.0° |
| C26 | C27 | C28 | H28 | 179.6° | 179.7° |
| F1 | C26 | C25 | H26 | 0.4° | 0.1° |
| F1 | C26 | C27 | H27 | 0.4° | 0.1° |
| O5 | C1 | N1 | C2 | 170.9° | 174.7° |
| C1 | O5 | C15 | H8 | 60.4° | 60.1° |
| C1 | O5 | C15 | H9 | 61.0° | 60.0° |
| O5 | C1 | N1 | H41 | 9.1° | 5.3° |
| C1 | N1 | C2 | H41 | 180.0° | 180.0° |
| C1 | N1 | C2 | C7 | 59.1° | 151.9° |
| C1 | N1 | C2 | C3 | 179.2° | 88.2° |
| C1 | N1 | C2 | H17 | 61.2° | 31.8° |
| C9 | C10 | C13 | H1 | 119.8° | 122.4° |
| C9 | C10 | C13 | C12 | 148.5° | 143.5° |
| C10 | C9 | C8 | H39 | 120.5° | 120.0° |
| C10 | C9 | C8 | H40 | 120.5° | 120.0° |
| C10 | C9 | C8 | N2 | 66.5° | 62.9° |
| C10 | C9 | C8 | C14 | 172.3° | 177.1° |
| C9 | C10 | C13 | H4 | 29.4° | 25.4° |
| C9 | C10 | C13 | H5 | 92.3° | 98.4° |
| C10 | C9 | C8 | H38 | 52.9° | 57.1° |
| C10 | C9 | H39 | H40 | 118.3° | 120.0° |
| C10 | C13 | C12 | H4 | 119.1° | 118.1° |
| C10 | C13 | C12 | H5 | 119.1° | 118.1° |
| C13 | C10 | C9 | C8 | 62.2° | 65.6° |
| C10 | C13 | C12 | H2 | 95.4° | 144.4° |
| C10 | C13 | C12 | H3 | 142.7° | 93.7° |
| C10 | C13 | H4 | H5 | 122.6° | 123.8° |
| C13 | C10 | C9 | H39 | 58.4° | 54.4° |
| C13 | C10 | C9 | H40 | 177.3° | 174.4° |
| C12 | C13 | C10 | H1 | 91.6° | 94.0° |
| C13 | C12 | H2 | H3 | 122.8° | 122.0° |
| C12 | C13 | H4 | H5 | 122.6° | 123.9° |
| C13 | C12 | N3 | H43 | 163.6° | 162.9° |
| C9 | C8 | N2 | C7 | 110.9° | 156.8° |
| C9 | C8 | N2 | C14 | 122.4° | 120.0° |
| C9 | C8 | N2 | H38 | 118.9° | 120.0° |
| C9 | C8 | C14 | H38 | 119.2° | 120.0° |
| C9 | C8 | C14 | O3 | 63.9° | 120.0° |
| C8 | C9 | C10 | H1 | 57.7° | 56.9° |
| C9 | C8 | C14 | H6 | 116.1° | 60.0° |
| C8 | C9 | H39 | H40 | 118.3° | 120.0° |
| C9 | C8 | N2 | H42 | 69.1° | 23.1° |
| C6 | C4 | C3 | C2 | 53.2° | 173.7° |
| C6 | C4 | C3 | C5 | 125.5° | 120.0° |
| C6 | C4 | C3 | H31 | 117.6° | 120.1° |
| C6 | C4 | C5 | H31 | 116.9° | 120.0° |
| C6 | C4 | C3 | H29 | 174.0° | 66.2° |
| C6 | C4 | C3 | H30 | 67.6° | 53.7° |
| C6 | C4 | C5 | H32 | 180.0° | 56.5° |
| C6 | C4 | C5 | H33 | 60.0° | 63.5° |
| C6 | C4 | C5 | H34 | 60.0° | 176.4° |
| C4 | C6 | H35 | H36 | 120.0° | 120.0° |
| C4 | C6 | H35 | H37 | 120.0° | 120.0° |
| C4 | C6 | H36 | H37 | 120.0° | 120.0° |
| N1 | C2 | C7 | C3 | 119.1° | 120.0° |
| N1 | C2 | C7 | H17 | 120.9° | 120.0° |
| N1 | C2 | C3 | H17 | 120.3° | 120.0° |
| N1 | C2 | C7 | N2 | 144.2° | 157.4° |
| N1 | C2 | C7 | O4 | 34.3° | 22.7° |
| N1 | C2 | C3 | C4 | 50.7° | 178.5° |
| N1 | C2 | C3 | H29 | 70.1° | 58.5° |
| N1 | C2 | C3 | H30 | 171.6° | 61.5° |
| C7 | C2 | C3 | H17 | 120.0° | 120.0° |
| C2 | C7 | N2 | O4 | 178.5° | 180.0° |
| C2 | C7 | N2 | C8 | 178.0° | 174.9° |
| C7 | C2 | C3 | C4 | 170.5° | 61.5° |
| C7 | C2 | C3 | H29 | 49.7° | 178.4° |
| C7 | C2 | C3 | H30 | 68.7° | 58.5° |
| C7 | C2 | N1 | H41 | 120.9° | 28.1° |
| C2 | C7 | N2 | H42 | 2.0° | 5.0° |
| C3 | C2 | C7 | N2 | 96.6° | 82.6° |
| C3 | C2 | C7 | O4 | 84.8° | 97.3° |
| C2 | C3 | C4 | H29 | 120.8° | 120.1° |
| C2 | C3 | C4 | H30 | 120.8° | 120.1° |
| C2 | C3 | C4 | C5 | 178.7° | 66.3° |
| C2 | C3 | H29 | H30 | 117.5° | 120.0° |
| C2 | C3 | C4 | H31 | 64.4° | 53.7° |
| C3 | C2 | N1 | H41 | 0.7° | 91.8° |
| C7 | N2 | C8 | H42 | 180.0° | 180.0° |
| C7 | N2 | C8 | C14 | 126.7° | 83.2° |
| N2 | C7 | C2 | H17 | 23.3° | 37.4° |
| C7 | N2 | C8 | H38 | 8.0° | 36.8° |
| C8 | N2 | C7 | O4 | 3.5° | 5.1° |
| N2 | C8 | C14 | H38 | 119.2° | 120.0° |
| N2 | C8 | C14 | O3 | 174.5° | 0.0° |
| N2 | C8 | C14 | H6 | 5.5° | 180.0° |
| N2 | C8 | C9 | H39 | 173.0° | 177.1° |
| N2 | C8 | C9 | H40 | 54.1° | 57.1° |
| O4 | C7 | C2 | H17 | 155.2° | 142.7° |
| O4 | C7 | N2 | H42 | 176.5° | 174.9° |
| C8 | C14 | O3 | H6 | 180.0° | 180.0° |
| C14 | C8 | C9 | H39 | 51.8° | 57.1° |
| C14 | C8 | C9 | H40 | 67.2° | 62.9° |
| C14 | C8 | N2 | H42 | 53.3° | 96.9° |
| C3 | C4 | C5 | H31 | 116.9° | 119.9° |
| C4 | C3 | C2 | H17 | 69.5° | 58.5° |
| C4 | C3 | H29 | H30 | 117.5° | 119.9° |
| C3 | C4 | C5 | H32 | 53.8° | 63.5° |
| C3 | C4 | C5 | H33 | 66.2° | 176.5° |
| C3 | C4 | C5 | H34 | 173.8° | 56.4° |
| C3 | C4 | C6 | H35 | 180.0° | 60.0° |
| C3 | C4 | C6 | H36 | 60.0° | 180.0° |
| C3 | C4 | C6 | H37 | 60.0° | 60.0° |
| C5 | C4 | C3 | H29 | 60.5° | 53.8° |
| C5 | C4 | C3 | H30 | 57.9° | 173.7° |
| C4 | C5 | H32 | H33 | 120.0° | 120.0° |
| C4 | C5 | H32 | H34 | 120.0° | 119.9° |
| C4 | C5 | H33 | H34 | 120.0° | 120.0° |
| C5 | C4 | C6 | H35 | 54.3° | 180.0° |
| C5 | C4 | C6 | H36 | 65.7° | 60.0° |
| C5 | C4 | C6 | H37 | 174.3° | 60.0° |
| O3 | C14 | C8 | H38 | 55.3° | 120.0° |
| H1 | C10 | C13 | H4 | 149.3° | 147.8° |
| H1 | C10 | C13 | H5 | 27.5° | 24.0° |
| H1 | C10 | C9 | H39 | 178.2° | 176.9° |
| H1 | C10 | C9 | H40 | 62.9° | 63.1° |
| H2 | C12 | C13 | H4 | 145.5° | 26.3° |
| H2 | C12 | C13 | H5 | 23.7° | 97.5° |
| H2 | C12 | N3 | H43 | 77.4° | 44.0° |
| H3 | C12 | C13 | H4 | 23.6° | 148.2° |
| H3 | C12 | C13 | H5 | 98.2° | 24.4° |
| H3 | C12 | N3 | H43 | 44.5° | 77.9° |
| H6 | C14 | C8 | H38 | 124.7° | 60.0° |
| H8 | C15 | C16 | H10 | 68.6° | 54.4° |
| H9 | C15 | C16 | H10 | 170.0° | 65.6° |
| H10 | C16 | C21 | H21 | 172.9° | 28.6° |
| H10 | C16 | C21 | H22 | 51.3° | 148.8° |
| H11 | C17 | C18 | H13 | 146.2° | 175.4° |
| H12 | C17 | C18 | H13 | 95.2° | 64.6° |
| H13 | C18 | C19 | H14 | 62.6° | 60.0° |
| H13 | C18 | C19 | H15 | 57.4° | 60.0° |
| H13 | C18 | C19 | H16 | 177.4° | 180.0° |
| H13 | C18 | C20 | H18 | 62.6° | 54.9° |
| H13 | C18 | C20 | H19 | 177.4° | 65.0° |
| H13 | C18 | C20 | H20 | 57.4° | 174.9° |
| H14 | C19 | H15 | H16 | 120.0° | 120.0° |
| H17 | C2 | C3 | H29 | 169.7° | 61.5° |
| H17 | C2 | C3 | H30 | 51.3° | 178.5° |
| H17 | C2 | N1 | H41 | 118.8° | 148.2° |
| H18 | C20 | H19 | H20 | 120.0° | 120.0° |
| H25 | C24 | C25 | H26 | 0.3° | 0.1° |
| H27 | C27 | C28 | H28 | 0.4° | 0.0° |
| H29 | C3 | C4 | H31 | 56.4° | 173.7° |
| H30 | C3 | C4 | H31 | 174.8° | 66.4° |
| H31 | C4 | C5 | H32 | 63.1° | 176.6° |
| H31 | C4 | C5 | H33 | 176.9° | 56.6° |
| H31 | C4 | C5 | H34 | 56.9° | 63.5° |
| H31 | C4 | C6 | H35 | 62.5° | 60.0° |
| H31 | C4 | C6 | H36 | 177.5° | 60.0° |
| H31 | C4 | C6 | H37 | 57.5° | 180.0° |
| H32 | C5 | H33 | H34 | 120.0° | 120.0° |
| H35 | C6 | H36 | H37 | 120.0° | 120.0° |
| H38 | C8 | C9 | H39 | 67.6° | 62.9° |
| H38 | C8 | C9 | H40 | 173.5° | 177.1° |
| H38 | C8 | N2 | H42 | 172.0° | 143.1° |
