A1C2N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C23 | doub | 1.21Å | 1.22Å | |
| C23 | N3 | sing | 1.34Å | 1.33Å | |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| N3 | C24 | sing | 1.47Å | 1.45Å | |
| O6 | C13 | doub | 1.22Å | 1.21Å | |
| O2 | C13 | sing | 1.35Å | 1.34Å | |
| O2 | C12 | sing | 1.45Å | 1.43Å | |
| C13 | N1 | sing | 1.35Å | 1.36Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C22 | C25 | sing | 1.54Å | 1.54Å | |
| C24 | C25 | sing | 1.54Å | 1.49Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | C27 | sing | 1.53Å | 1.52Å | |
| C11 | N | sing | 1.48Å | 1.48Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C27 | O7 | sing | 1.45Å | 1.45Å | |
| N1 | C14 | sing | 1.46Å | 1.46Å | |
| C7 | N | sing | 1.47Å | 1.46Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C14 | C19 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| N2 | C20 | sing | 1.46Å | 1.46Å | |
| N2 | C19 | sing | 1.35Å | 1.34Å | |
| N | P | sing | 1.71Å | 1.69Å | |
| C10 | C8 | sing | 1.53Å | 1.51Å | |
| C20 | C26 | sing | 1.51Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.51Å | |
| C19 | O5 | doub | 1.21Å | 1.23Å | |
| O7 | P | sing | 1.64Å | 1.59Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C26 | O4 | doub | 1.21Å | 1.42Å | |
| P | O1 | sing | 1.61Å | 1.56Å | |
| P | O | doub | 1.48Å | 1.46Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| O1 | C | sing | 1.43Å | 1.45Å | |
| C5 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | F | sing | 1.35Å | 1.35Å | |
| C4 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.08Å | 1.08Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C23 | N3 | 125.9° | 124.9° |
| O3 | C23 | C22 | 126.5° | 124.9° |
| N3 | C23 | C22 | 107.6° | 110.1° |
| C23 | N3 | C24 | 114.0° | 111.3° |
| C23 | N3 | H11 | 123.0° | 124.4° |
| C23 | C22 | C21 | 114.0° | 110.2° |
| C23 | C22 | C25 | 102.2° | 104.3° |
| C23 | C22 | H36 | 108.6° | 110.8° |
| N3 | C24 | C25 | 102.6° | 105.5° |
| C24 | N3 | H11 | 123.1° | 124.3° |
| N3 | C24 | H37 | 111.2° | 110.2° |
| N3 | C24 | H38 | 111.2° | 110.3° |
| O6 | C13 | O2 | 122.8° | 120.0° |
| O6 | C13 | N1 | 124.9° | 120.0° |
| C13 | O2 | C12 | 122.2° | 117.0° |
| O2 | C13 | N1 | 112.3° | 120.0° |
| O2 | C12 | C11 | 104.6° | 109.5° |
| O2 | C12 | H21 | 110.7° | 109.5° |
| O2 | C12 | H22 | 110.7° | 109.5° |
| C13 | N1 | C14 | 116.8° | 120.0° |
| C13 | N1 | H1 | 121.6° | 120.0° |
| C21 | C22 | C25 | 115.0° | 110.5° |
| C22 | C21 | C20 | 114.6° | 109.5° |
| C22 | C21 | H34 | 108.2° | 109.4° |
| C22 | C21 | H35 | 108.2° | 109.5° |
| C21 | C22 | H36 | 108.4° | 110.4° |
| C22 | C25 | C24 | 103.6° | 101.9° |
| C25 | C22 | H36 | 108.3° | 110.5° |
| C22 | C25 | H39 | 110.9° | 111.0° |
| C22 | C25 | H40 | 110.9° | 111.0° |
| C25 | C24 | H37 | 111.2° | 110.2° |
| C25 | C24 | H38 | 111.2° | 110.2° |
| C24 | C25 | H39 | 110.9° | 111.2° |
| C24 | C25 | H40 | 110.9° | 110.6° |
| C12 | C11 | C27 | 112.3° | 109.5° |
| C12 | C11 | N | 109.8° | 109.5° |
| C12 | C11 | H20 | 111.7° | 109.4° |
| C11 | C12 | H21 | 110.7° | 109.4° |
| C11 | C12 | H22 | 110.7° | 109.5° |
| C27 | C11 | N | 98.1° | 109.5° |
| C11 | C27 | O7 | 100.4° | 108.8° |
| C27 | C11 | H20 | 111.8° | 109.5° |
| C11 | C27 | H43 | 111.7° | 109.6° |
| C11 | C27 | H44 | 111.7° | 109.6° |
| C11 | N | C7 | 120.5° | 111.0° |
| C11 | N | P | 111.3° | 103.2° |
| N | C11 | H20 | 112.5° | 109.5° |
| C21 | C20 | N2 | 111.1° | 109.5° |
| C21 | C20 | C26 | 112.5° | 109.5° |
| C21 | C20 | H33 | 107.8° | 109.5° |
| C20 | C21 | H34 | 108.2° | 109.5° |
| C20 | C21 | H35 | 108.2° | 109.5° |
| C17 | C16 | C15 | 112.8° | 109.5° |
| C17 | C16 | C18 | 109.5° | 109.5° |
| C17 | C16 | H26 | 107.8° | 109.5° |
| C16 | C17 | H27 | 109.5° | 109.5° |
| C16 | C17 | H28 | 109.5° | 109.4° |
| C16 | C17 | H29 | 109.5° | 109.5° |
| C27 | O7 | P | 114.5° | 101.7° |
| O7 | C27 | H43 | 111.7° | 109.6° |
| O7 | C27 | H44 | 111.7° | 109.6° |
| N1 | C14 | C19 | 109.9° | 109.5° |
| N1 | C14 | C15 | 115.9° | 109.5° |
| C14 | N1 | H1 | 121.6° | 120.0° |
| N1 | C14 | H23 | 107.5° | 109.5° |
| N | C7 | C8 | 114.1° | 109.5° |
| C7 | N | P | 122.9° | 111.0° |
| N | C7 | H2 | 108.3° | 109.5° |
| N | C7 | H3 | 108.3° | 109.5° |
| C7 | C8 | C10 | 111.9° | 109.5° |
| C7 | C8 | C9 | 109.1° | 109.5° |
| C8 | C7 | H2 | 108.3° | 109.4° |
| C8 | C7 | H3 | 108.3° | 109.5° |
| C7 | C8 | H4 | 108.2° | 109.4° |
| C19 | C14 | C15 | 109.8° | 109.5° |
| C14 | C19 | N2 | 116.2° | 120.0° |
| C14 | C19 | O5 | 120.4° | 120.0° |
| C19 | C14 | H23 | 106.7° | 109.4° |
| C14 | C15 | C16 | 116.2° | 109.5° |
| C15 | C14 | H23 | 106.6° | 109.5° |
| C14 | C15 | H24 | 107.8° | 109.5° |
| C14 | C15 | H25 | 107.8° | 109.5° |
| C20 | N2 | C19 | 123.6° | 120.0° |
| N2 | C20 | C26 | 108.8° | 109.5° |
| C20 | N2 | H5 | 118.2° | 120.0° |
| N2 | C20 | H33 | 108.6° | 109.4° |
| N2 | C19 | O5 | 123.4° | 119.9° |
| C19 | N2 | H5 | 118.2° | 120.0° |
| N | P | O7 | 90.1° | 101.4° |
| N | P | O1 | 111.3° | 111.0° |
| N | P | O | 121.8° | 111.0° |
| C10 | C8 | C9 | 110.9° | 109.5° |
| C10 | C8 | H4 | 108.4° | 109.5° |
| C8 | C10 | H17 | 109.5° | 109.4° |
| C8 | C10 | H18 | 109.5° | 109.5° |
| C8 | C10 | H19 | 109.5° | 109.5° |
| C20 | C26 | O4 | 111.0° | 120.0° |
| C26 | C20 | H33 | 107.9° | 109.5° |
| C20 | C26 | H41 | 124.5° | 120.0° |
| C15 | C16 | C18 | 110.8° | 109.5° |
| C16 | C15 | H24 | 107.8° | 109.5° |
| C16 | C15 | H25 | 107.8° | 109.5° |
| C15 | C16 | H26 | 107.7° | 109.4° |
| C18 | C16 | H26 | 107.9° | 109.4° |
| C16 | C18 | H30 | 109.5° | 109.5° |
| C16 | C18 | H31 | 109.5° | 109.5° |
| C16 | C18 | H32 | 109.5° | 109.5° |
| O7 | P | O1 | 105.0° | 111.0° |
| O7 | P | O | 113.5° | 111.0° |
| C9 | C8 | H4 | 108.3° | 109.4° |
| C8 | C9 | H6 | 109.5° | 109.4° |
| C8 | C9 | H7 | 109.5° | 109.5° |
| C8 | C9 | H8 | 109.5° | 109.5° |
| O4 | C26 | H41 | 124.5° | 120.0° |
| O1 | P | O | 112.0° | 110.9° |
| P | O1 | C | 118.5° | 123.0° |
| C5 | C6 | C1 | 121.1° | 120.0° |
| C6 | C5 | C4 | 118.2° | 120.0° |
| C6 | C5 | H9 | 120.9° | 120.0° |
| C5 | C6 | H10 | 119.4° | 119.9° |
| C6 | C1 | C | 120.5° | 119.9° |
| C6 | C1 | C2 | 118.4° | 120.1° |
| C1 | C6 | H10 | 119.4° | 120.1° |
| O1 | C | C1 | 110.4° | 109.5° |
| O1 | C | H15 | 109.3° | 109.5° |
| O1 | C | H16 | 109.2° | 109.5° |
| C5 | C4 | F | 118.5° | 120.0° |
| C5 | C4 | C3 | 122.8° | 120.0° |
| C4 | C5 | H9 | 120.9° | 120.0° |
| C | C1 | C2 | 120.8° | 120.0° |
| C1 | C | H15 | 109.2° | 109.4° |
| C1 | C | H16 | 109.3° | 109.5° |
| C1 | C2 | C3 | 121.2° | 120.0° |
| C1 | C2 | H14 | 119.4° | 120.0° |
| F | C4 | C3 | 118.6° | 120.0° |
| C4 | C3 | C2 | 118.1° | 119.9° |
| C4 | C3 | H13 | 120.9° | 120.1° |
| C2 | C3 | H13 | 120.9° | 120.0° |
| C3 | C2 | H14 | 119.4° | 120.0° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.4° |
| H6 | C9 | H8 | 109.5° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.5° |
| H15 | C | H16 | 109.5° | 109.4° |
| H17 | C10 | H18 | 109.4° | 109.5° |
| H17 | C10 | H19 | 109.5° | 109.5° |
| H18 | C10 | H19 | 109.5° | 109.5° |
| H21 | C12 | H22 | 109.5° | 109.5° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| H27 | C17 | H28 | 109.5° | 109.5° |
| H27 | C17 | H29 | 109.5° | 109.5° |
| H28 | C17 | H29 | 109.4° | 109.5° |
| H30 | C18 | H31 | 109.4° | 109.5° |
| H30 | C18 | H32 | 109.5° | 109.4° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| H34 | C21 | H35 | 109.5° | 109.5° |
| H37 | C24 | H38 | 109.4° | 110.3° |
| H39 | C25 | H40 | 109.4° | 110.9° |
| H43 | C27 | H44 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C23 | N3 | C22 | 178.2° | 180.0° |
| O3 | C23 | N3 | C24 | 176.0° | 179.6° |
| O3 | C23 | C22 | C21 | 39.8° | 77.4° |
| O3 | C23 | C22 | C25 | 164.6° | 164.0° |
| O3 | C23 | N3 | H11 | 4.0° | 0.6° |
| O3 | C23 | C22 | H36 | 81.1° | 45.1° |
| C23 | N3 | C24 | H11 | 180.0° | 179.8° |
| N3 | C23 | C22 | C21 | 142.1° | 102.6° |
| N3 | C23 | C22 | C25 | 17.3° | 16.0° |
| C23 | N3 | C24 | C25 | 21.3° | 16.8° |
| N3 | C23 | C22 | H36 | 97.0° | 134.9° |
| C23 | N3 | C24 | H37 | 97.6° | 135.8° |
| C23 | N3 | C24 | H38 | 140.2° | 102.2° |
| C22 | C23 | N3 | C24 | 2.1° | 0.4° |
| C23 | C22 | C21 | C25 | 117.6° | 114.7° |
| C23 | C22 | C21 | H36 | 121.0° | 122.7° |
| C23 | C22 | C25 | H36 | 114.5° | 119.1° |
| C23 | C22 | C25 | C24 | 29.3° | 24.4° |
| C23 | C22 | C21 | C20 | 178.3° | 70.3° |
| C22 | C23 | N3 | H11 | 177.9° | 179.4° |
| C23 | C22 | C21 | H34 | 57.6° | 49.7° |
| C23 | C22 | C21 | H35 | 60.9° | 169.7° |
| C23 | C22 | C25 | H39 | 89.7° | 142.9° |
| C23 | C22 | C25 | H40 | 148.4° | 93.3° |
| N3 | C24 | C25 | C22 | 30.4° | 25.1° |
| N3 | C24 | C25 | H37 | 118.9° | 119.0° |
| N3 | C24 | C25 | H38 | 118.9° | 119.0° |
| N3 | C24 | H37 | H38 | 123.2° | 122.0° |
| N3 | C24 | C25 | H39 | 88.7° | 143.4° |
| N3 | C24 | C25 | H40 | 149.4° | 93.0° |
| O6 | C13 | O2 | N1 | 179.3° | 180.0° |
| O6 | C13 | O2 | C12 | 178.5° | 0.0° |
| O6 | C13 | N1 | C14 | 19.3° | 0.0° |
| O6 | C13 | N1 | H1 | 160.7° | 179.7° |
| C13 | O2 | C12 | C11 | 169.7° | 180.0° |
| O2 | C13 | N1 | C14 | 160.0° | 179.9° |
| O2 | C13 | N1 | H1 | 20.0° | 0.2° |
| C13 | O2 | C12 | H21 | 50.5° | 60.0° |
| C13 | O2 | C12 | H22 | 71.1° | 60.0° |
| C12 | O2 | C13 | N1 | 2.2° | 180.0° |
| O2 | C12 | C11 | H21 | 119.2° | 120.0° |
| O2 | C12 | C11 | H22 | 119.2° | 120.0° |
| O2 | C12 | C11 | C27 | 156.1° | 53.6° |
| O2 | C12 | C11 | N | 95.9° | 66.5° |
| O2 | C12 | C11 | H20 | 29.6° | 173.6° |
| O2 | C12 | H21 | H22 | 122.3° | 120.0° |
| C13 | N1 | C14 | H1 | 180.0° | 179.7° |
| C13 | N1 | C14 | C19 | 59.2° | 155.3° |
| C13 | N1 | C14 | C15 | 175.6° | 84.7° |
| C13 | N1 | C14 | H23 | 56.5° | 35.3° |
| C21 | C22 | C25 | H36 | 121.4° | 122.5° |
| C21 | C22 | C25 | C24 | 153.5° | 93.9° |
| C22 | C21 | C20 | H34 | 120.8° | 120.0° |
| C22 | C21 | C20 | H35 | 120.7° | 120.0° |
| C22 | C21 | C20 | N2 | 71.4° | 65.0° |
| C22 | C21 | C20 | C26 | 166.3° | 175.0° |
| C22 | C21 | C20 | H33 | 47.5° | 55.0° |
| C22 | C21 | H34 | H35 | 117.7° | 120.0° |
| C21 | C22 | C25 | H39 | 34.4° | 24.6° |
| C21 | C22 | C25 | H40 | 87.5° | 148.3° |
| C22 | C25 | C24 | H39 | 119.1° | 118.3° |
| C22 | C25 | C24 | H40 | 119.1° | 118.0° |
| C25 | C22 | C21 | C20 | 60.7° | 175.0° |
| C25 | C22 | C21 | H34 | 60.0° | 65.0° |
| C25 | C22 | C21 | H35 | 178.6° | 55.0° |
| C22 | C25 | C24 | H37 | 88.5° | 144.1° |
| C22 | C25 | C24 | H38 | 149.3° | 94.0° |
| C22 | C25 | H39 | H40 | 122.7° | 123.8° |
| C25 | C24 | N3 | H11 | 158.7° | 163.0° |
| C24 | C25 | C22 | H36 | 85.2° | 143.6° |
| C25 | C24 | H37 | H38 | 123.2° | 121.9° |
| C24 | C25 | H39 | H40 | 122.7° | 123.5° |
| C12 | C11 | C27 | N | 115.3° | 120.0° |
| C12 | C11 | C27 | H20 | 126.5° | 120.0° |
| C12 | C11 | N | H20 | 125.1° | 120.0° |
| C12 | C11 | C27 | O7 | 66.6° | 148.6° |
| C12 | C11 | N | C7 | 129.9° | 117.4° |
| C12 | C11 | N | P | 74.9° | 123.6° |
| C11 | C12 | H21 | H22 | 122.3° | 120.0° |
| C12 | C11 | C27 | H43 | 52.0° | 28.7° |
| C12 | C11 | C27 | H44 | 174.9° | 91.4° |
| C27 | C11 | N | H20 | 117.6° | 120.0° |
| C11 | C27 | O7 | H43 | 118.5° | 119.9° |
| C11 | C27 | O7 | H44 | 118.5° | 119.9° |
| C27 | C11 | N | C7 | 112.8° | 122.5° |
| C27 | C11 | N | P | 42.4° | 3.6° |
| C11 | C27 | O7 | P | 42.7° | 39.5° |
| C27 | C11 | C12 | H21 | 84.7° | 173.6° |
| C27 | C11 | C12 | H22 | 36.9° | 66.4° |
| C11 | C27 | H43 | H44 | 124.2° | 120.3° |
| N | C11 | C27 | O7 | 48.8° | 28.6° |
| C11 | N | C7 | P | 152.2° | 114.2° |
| C11 | N | C7 | C8 | 144.3° | 169.0° |
| C11 | N | P | O7 | 17.8° | 18.6° |
| C11 | N | P | O1 | 124.0° | 136.7° |
| C11 | N | P | O | 100.3° | 99.4° |
| C11 | N | C7 | H2 | 95.0° | 49.1° |
| C11 | N | C7 | H3 | 23.6° | 70.9° |
| N | C11 | C12 | H21 | 23.3° | 53.5° |
| N | C11 | C12 | H22 | 144.9° | 173.5° |
| N | C11 | C27 | H43 | 167.3° | 91.3° |
| N | C11 | C27 | H44 | 69.7° | 148.5° |
| C21 | C20 | N2 | C26 | 124.4° | 120.0° |
| C21 | C20 | N2 | H33 | 118.4° | 120.0° |
| C21 | C20 | N2 | C19 | 117.1° | 155.0° |
| C21 | C20 | C26 | H33 | 118.7° | 120.0° |
| C21 | C20 | C26 | O4 | 60.9° | 120.0° |
| C21 | C20 | N2 | H5 | 62.9° | 25.0° |
| C20 | C21 | H34 | H35 | 117.7° | 120.0° |
| C20 | C21 | C22 | H36 | 60.6° | 52.4° |
| C21 | C20 | C26 | H41 | 119.1° | 60.0° |
| C17 | C16 | C15 | C14 | 52.0° | 175.0° |
| C17 | C16 | C15 | C18 | 123.3° | 120.1° |
| C17 | C16 | C15 | H26 | 118.9° | 120.0° |
| C17 | C16 | C18 | H26 | 117.2° | 120.0° |
| C17 | C16 | C15 | H24 | 173.0° | 55.0° |
| C17 | C16 | C15 | H25 | 68.9° | 65.0° |
| C16 | C17 | H27 | H28 | 120.0° | 120.0° |
| C16 | C17 | H27 | H29 | 120.0° | 120.0° |
| C16 | C17 | H28 | H29 | 120.0° | 120.0° |
| C17 | C16 | C18 | H30 | 180.0° | 60.0° |
| C17 | C16 | C18 | H31 | 60.0° | 180.0° |
| C17 | C16 | C18 | H32 | 60.0° | 60.0° |
| C27 | O7 | P | N | 15.9° | 34.9° |
| C27 | O7 | P | O1 | 96.3° | 152.9° |
| C27 | O7 | P | O | 141.0° | 83.2° |
| O7 | C27 | C11 | H20 | 166.9° | 91.4° |
| O7 | C27 | H43 | H44 | 124.2° | 120.3° |
| N1 | C14 | C19 | C15 | 128.6° | 120.0° |
| N1 | C14 | C19 | H23 | 116.2° | 120.0° |
| N1 | C14 | C15 | H23 | 119.6° | 120.0° |
| N1 | C14 | C19 | N2 | 122.8° | 180.0° |
| N1 | C14 | C15 | C16 | 66.5° | 65.0° |
| N1 | C14 | C19 | O5 | 56.8° | 0.0° |
| N1 | C14 | C15 | H24 | 54.5° | 55.0° |
| N1 | C14 | C15 | H25 | 172.6° | 175.0° |
| N | C7 | C8 | H2 | 120.7° | 120.0° |
| N | C7 | C8 | H3 | 120.7° | 120.0° |
| N | C7 | C8 | C10 | 157.5° | 65.2° |
| C7 | N | P | O7 | 136.7° | 100.4° |
| N | C7 | C8 | C9 | 34.5° | 174.8° |
| C7 | N | P | O1 | 30.5° | 17.7° |
| C7 | N | P | O | 105.2° | 141.6° |
| N | C7 | H2 | H3 | 117.8° | 120.0° |
| N | C7 | C8 | H4 | 83.1° | 54.8° |
| C7 | N | C11 | H20 | 4.8° | 2.5° |
| C8 | C7 | N | P | 63.4° | 76.8° |
| C7 | C8 | C10 | C9 | 122.0° | 120.0° |
| C7 | C8 | C10 | H4 | 119.3° | 120.0° |
| C7 | C8 | C9 | H4 | 117.6° | 119.9° |
| C8 | C7 | H2 | H3 | 117.9° | 120.0° |
| C7 | C8 | C9 | H6 | 180.0° | 64.9° |
| C7 | C8 | C9 | H7 | 60.0° | 175.2° |
| C7 | C8 | C9 | H8 | 60.0° | 55.2° |
| C7 | C8 | C10 | H17 | 180.0° | 60.0° |
| C7 | C8 | C10 | H18 | 60.0° | 60.0° |
| C7 | C8 | C10 | H19 | 60.0° | 180.0° |
| C19 | C14 | C15 | H23 | 115.2° | 120.0° |
| C14 | C19 | N2 | C20 | 170.0° | 180.0° |
| C14 | C19 | N2 | O5 | 179.6° | 179.9° |
| C19 | C14 | C15 | C16 | 168.3° | 175.0° |
| C19 | C14 | N1 | H1 | 120.8° | 25.0° |
| C14 | C19 | N2 | H5 | 10.0° | 0.0° |
| C19 | C14 | C15 | H24 | 70.7° | 65.0° |
| C19 | C14 | C15 | H25 | 47.3° | 55.0° |
| C15 | C14 | C19 | N2 | 108.6° | 60.0° |
| C14 | C15 | C16 | H24 | 121.0° | 120.0° |
| C14 | C15 | C16 | H25 | 121.0° | 120.0° |
| C14 | C15 | C16 | C18 | 175.3° | 65.0° |
| C15 | C14 | C19 | O5 | 71.9° | 120.1° |
| C15 | C14 | N1 | H1 | 4.4° | 95.0° |
| C14 | C15 | H24 | H25 | 117.0° | 120.0° |
| C14 | C15 | C16 | H26 | 66.9° | 55.0° |
| C20 | N2 | C19 | H5 | 180.0° | 180.0° |
| N2 | C20 | C26 | H33 | 117.7° | 119.9° |
| C20 | N2 | C19 | O5 | 9.6° | 0.0° |
| N2 | C20 | C26 | O4 | 175.5° | 0.0° |
| N2 | C20 | C21 | H34 | 167.9° | 55.0° |
| N2 | C20 | C21 | H35 | 49.3° | 175.0° |
| N2 | C20 | C26 | H41 | 4.5° | 180.0° |
| C19 | N2 | C20 | C26 | 118.5° | 85.0° |
| N2 | C19 | C14 | H23 | 6.5° | 60.0° |
| C19 | N2 | C20 | H33 | 1.3° | 35.0° |
| N | P | O7 | O1 | 112.2° | 118.0° |
| N | P | O7 | O | 125.1° | 118.0° |
| N | P | O1 | O | 140.2° | 124.0° |
| N | P | O1 | C | 131.3° | 176.5° |
| P | N | C7 | H2 | 57.2° | 163.2° |
| P | N | C7 | H3 | 175.8° | 43.2° |
| P | N | C11 | H20 | 160.0° | 116.4° |
| C10 | C8 | C9 | H4 | 118.8° | 120.0° |
| C10 | C8 | C7 | H2 | 81.8° | 54.8° |
| C10 | C8 | C7 | H3 | 36.8° | 174.8° |
| C10 | C8 | C9 | H6 | 56.4° | 55.2° |
| C10 | C8 | C9 | H7 | 63.6° | 64.7° |
| C10 | C8 | C9 | H8 | 176.4° | 175.2° |
| C8 | C10 | H17 | H18 | 120.0° | 120.0° |
| C8 | C10 | H17 | H19 | 120.0° | 119.9° |
| C8 | C10 | H18 | H19 | 120.0° | 120.0° |
| C20 | C26 | O4 | H41 | 180.0° | 180.0° |
| C26 | C20 | N2 | H5 | 61.5° | 95.0° |
| C26 | C20 | C21 | H34 | 45.6° | 65.0° |
| C26 | C20 | C21 | H35 | 73.0° | 55.0° |
| C15 | C16 | C18 | H26 | 117.7° | 119.9° |
| C16 | C15 | C14 | H23 | 53.1° | 55.0° |
| C16 | C15 | H24 | H25 | 116.9° | 120.0° |
| C15 | C16 | C17 | H27 | 180.0° | 60.1° |
| C15 | C16 | C17 | H28 | 60.0° | 180.0° |
| C15 | C16 | C17 | H29 | 60.0° | 60.0° |
| C15 | C16 | C18 | H30 | 54.8° | 60.1° |
| C15 | C16 | C18 | H31 | 65.1° | 60.0° |
| C15 | C16 | C18 | H32 | 174.9° | 180.0° |
| C18 | C16 | C15 | H24 | 63.7° | 175.0° |
| C18 | C16 | C15 | H25 | 54.3° | 55.0° |
| C18 | C16 | C17 | H27 | 56.0° | 60.0° |
| C18 | C16 | C17 | H28 | 64.0° | 60.0° |
| C18 | C16 | C17 | H29 | 176.0° | 180.0° |
| C16 | C18 | H30 | H31 | 120.0° | 120.1° |
| C16 | C18 | H30 | H32 | 120.0° | 120.0° |
| C16 | C18 | H31 | H32 | 120.0° | 120.0° |
| O5 | C19 | N2 | H5 | 170.4° | 179.9° |
| O5 | C19 | C14 | H23 | 173.0° | 119.9° |
| O7 | P | O1 | O | 123.7° | 124.0° |
| O7 | P | O1 | C | 35.2° | 71.4° |
| P | O7 | C27 | H43 | 161.2° | 80.4° |
| P | O7 | C27 | H44 | 75.9° | 159.4° |
| C9 | C8 | C7 | H2 | 155.2° | 65.2° |
| C9 | C8 | C7 | H3 | 86.2° | 54.8° |
| C8 | C9 | H6 | H7 | 120.0° | 120.0° |
| C8 | C9 | H6 | H8 | 120.0° | 120.0° |
| C8 | C9 | H7 | H8 | 120.0° | 120.1° |
| C9 | C8 | C10 | H17 | 58.0° | 60.0° |
| C9 | C8 | C10 | H18 | 178.0° | 180.0° |
| C9 | C8 | C10 | H19 | 62.0° | 59.9° |
| O4 | C26 | C20 | H33 | 57.8° | 119.9° |
| P | O1 | C | C1 | 176.7° | 175.0° |
| P | O1 | C | H15 | 63.2° | 65.0° |
| P | O1 | C | H16 | 56.6° | 54.9° |
| O | P | O1 | C | 88.5° | 52.5° |
| C5 | C6 | C1 | H10 | 180.0° | 180.0° |
| C6 | C5 | C4 | H9 | 180.0° | 180.0° |
| C5 | C6 | C1 | C | 173.0° | 179.7° |
| C5 | C6 | C1 | C2 | 1.2° | 0.0° |
| C6 | C5 | C4 | F | 177.4° | 179.9° |
| C6 | C5 | C4 | C3 | 0.2° | 0.1° |
| C6 | C1 | C | O1 | 83.4° | 84.9° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C1 | C | C2 | 174.1° | 179.7° |
| C6 | C1 | C2 | C3 | 2.0° | 0.1° |
| C1 | C6 | C5 | H9 | 179.8° | 180.0° |
| C6 | C1 | C2 | H14 | 178.0° | 180.0° |
| C6 | C1 | C | H15 | 156.4° | 155.1° |
| C6 | C1 | C | H16 | 36.7° | 35.2° |
| O1 | C | C1 | H15 | 120.1° | 120.0° |
| O1 | C | C1 | H16 | 120.1° | 120.1° |
| O1 | C | C1 | C2 | 102.5° | 94.8° |
| O1 | C | H15 | H16 | 119.6° | 119.9° |
| C5 | C4 | F | C3 | 177.4° | 179.9° |
| C5 | C4 | C3 | C2 | 0.5° | 0.1° |
| C4 | C5 | C6 | H10 | 179.8° | 180.0° |
| C5 | C4 | C3 | H13 | 179.5° | 180.0° |
| C | C1 | C2 | C3 | 172.2° | 179.7° |
| C | C1 | C6 | H10 | 7.0° | 0.3° |
| C | C1 | C2 | H14 | 7.8° | 0.4° |
| C1 | C | H15 | H16 | 119.6° | 120.0° |
| C1 | C2 | C3 | C4 | 1.6° | 0.1° |
| C1 | C2 | C3 | H14 | 180.0° | 179.9° |
| C2 | C1 | C6 | H10 | 178.8° | 180.0° |
| C1 | C2 | C3 | H13 | 178.4° | 180.0° |
| C2 | C1 | C | H15 | 17.6° | 25.2° |
| C2 | C1 | C | H16 | 137.4° | 145.1° |
| F | C4 | C3 | C2 | 176.7° | 180.0° |
| F | C4 | C5 | H9 | 2.6° | 0.0° |
| F | C4 | C3 | H13 | 3.3° | 0.1° |
| C4 | C3 | C2 | H13 | 180.0° | 180.0° |
| C3 | C4 | C5 | H9 | 179.8° | 179.9° |
| C4 | C3 | C2 | H14 | 178.4° | 180.0° |
| H1 | N1 | C14 | H23 | 123.5° | 145.0° |
| H2 | C7 | C8 | H4 | 37.6° | 174.8° |
| H3 | C7 | C8 | H4 | 156.2° | 65.2° |
| H4 | C8 | C9 | H6 | 62.4° | 175.2° |
| H4 | C8 | C9 | H7 | 177.6° | 55.3° |
| H4 | C8 | C9 | H8 | 57.6° | 64.8° |
| H4 | C8 | C10 | H17 | 60.7° | 180.0° |
| H4 | C8 | C10 | H18 | 59.3° | 60.0° |
| H4 | C8 | C10 | H19 | 179.3° | 60.1° |
| H5 | N2 | C20 | H33 | 178.7° | 145.0° |
| H6 | C9 | H7 | H8 | 120.0° | 120.0° |
| H9 | C5 | C6 | H10 | 0.2° | 0.0° |
| H11 | N3 | C24 | H37 | 82.4° | 44.1° |
| H11 | N3 | C24 | H38 | 39.8° | 78.0° |
| H13 | C3 | C2 | H14 | 1.6° | 0.0° |
| H17 | C10 | H18 | H19 | 120.0° | 120.0° |
| H20 | C11 | C12 | H21 | 148.8° | 66.4° |
| H20 | C11 | C12 | H22 | 89.6° | 53.6° |
| H20 | C11 | C27 | H43 | 74.5° | 148.7° |
| H20 | C11 | C27 | H44 | 48.4° | 28.5° |
| H23 | C14 | C15 | H24 | 174.1° | 175.0° |
| H23 | C14 | C15 | H25 | 67.9° | 65.0° |
| H24 | C15 | C16 | H26 | 54.1° | 65.0° |
| H25 | C15 | C16 | H26 | 172.2° | 175.0° |
| H26 | C16 | C17 | H27 | 61.2° | 180.0° |
| H26 | C16 | C17 | H28 | 178.8° | 60.0° |
| H26 | C16 | C17 | H29 | 58.8° | 60.0° |
| H26 | C16 | C18 | H30 | 62.9° | 180.0° |
| H26 | C16 | C18 | H31 | 177.2° | 59.9° |
| H26 | C16 | C18 | H32 | 57.2° | 60.1° |
| H27 | C17 | H28 | H29 | 120.0° | 120.1° |
| H30 | C18 | H31 | H32 | 120.0° | 119.9° |
| H33 | C20 | C21 | H34 | 73.3° | 175.0° |
| H33 | C20 | C21 | H35 | 168.2° | 65.0° |
| H33 | C20 | C26 | H41 | 122.2° | 60.0° |
| H34 | C21 | C22 | H36 | 178.6° | 172.4° |
| H35 | C21 | C22 | H36 | 60.1° | 67.6° |
| H36 | C22 | C25 | H39 | 155.7° | 97.9° |
| H36 | C22 | C25 | H40 | 33.9° | 25.8° |
| H37 | C24 | C25 | H39 | 152.4° | 97.6° |
| H37 | C24 | C25 | H40 | 30.5° | 26.0° |
| H38 | C24 | C25 | H39 | 30.2° | 24.3° |
| H38 | C24 | C25 | H40 | 91.7° | 148.0° |
