A1CHJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | doub | 1.21Å | 1.24Å | |
| C1 | C8 | sing | 1.51Å | 1.50Å | |
| C1 | N4 | sing | 1.35Å | 1.34Å | |
| C2 | O1 | doub | 1.21Å | 1.24Å | |
| C2 | N1 | sing | 1.35Å | 1.34Å | |
| C2 | C16 | sing | 1.51Å | 1.52Å | |
| N1 | C3 | sing | 1.46Å | 1.46Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | N5 | doub | 1.28Å | 1.28Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.55Å | 1.51Å | |
| C6 | C10 | sing | 1.51Å | 1.52Å | |
| C7 | C9 | sing | 1.54Å | 1.52Å | |
| C8 | N2 | sing | 1.46Å | 1.45Å | |
| C8 | C11 | sing | 1.53Å | 1.52Å | |
| N2 | C14 | sing | 1.35Å | 1.34Å | |
| C9 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C10 | sing | 1.34Å | 1.35Å | |
| C10 | O3 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| C11 | C13 | sing | 1.53Å | 1.50Å | |
| C11 | C25 | sing | 1.53Å | 1.51Å | |
| C14 | O4 | doub | 1.21Å | 1.24Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | F1 | sing | 1.40Å | 1.33Å | |
| C15 | F2 | sing | 1.40Å | 1.33Å | |
| C15 | F3 | sing | 1.40Å | 1.33Å | |
| N4 | C16 | sing | 1.48Å | 1.46Å | |
| N4 | C18 | sing | 1.48Å | 1.48Å | |
| C16 | C17 | sing | 1.54Å | 1.54Å | |
| C17 | C19 | sing | 1.56Å | 1.55Å | |
| C17 | C22 | sing | 1.56Å | 1.55Å | |
| C18 | C19 | sing | 1.55Å | 1.54Å | |
| C19 | C20 | sing | 1.56Å | 1.56Å | |
| C20 | C21 | sing | 1.57Å | 1.55Å | |
| C20 | C24 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.57Å | 1.56Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | doub | 1.32Å | 1.33Å | |
| C25 | F4 | sing | 1.40Å | 1.32Å | |
| C25 | F5 | sing | 1.40Å | 1.33Å | |
| C25 | F6 | sing | 1.40Å | 1.32Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | 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 | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.08Å | 1.08Å | |
| C24 | H30 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| N5 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | C8 | 122.3° | 120.0° |
| O2 | C1 | N4 | 118.5° | 120.0° |
| C8 | C1 | N4 | 119.2° | 120.0° |
| C1 | C8 | N2 | 107.8° | 109.5° |
| C1 | C8 | C11 | 112.3° | 109.5° |
| C1 | C8 | H9 | 108.0° | 109.5° |
| C1 | N4 | C16 | 122.5° | 127.9° |
| C1 | N4 | C18 | 125.9° | 127.8° |
| O1 | C2 | N1 | 119.7° | 120.0° |
| O1 | C2 | C16 | 120.7° | 120.0° |
| N1 | C2 | C16 | 119.6° | 120.0° |
| C2 | N1 | C3 | 122.8° | 120.0° |
| C2 | N1 | H1 | 118.6° | 120.0° |
| C2 | C16 | N4 | 110.1° | 110.4° |
| C2 | C16 | C17 | 109.3° | 110.4° |
| C2 | C16 | H20 | 109.8° | 110.3° |
| N1 | C3 | C4 | 109.2° | 109.5° |
| N1 | C3 | C5 | 109.4° | 109.5° |
| N1 | C3 | H2 | 110.3° | 109.5° |
| C3 | N1 | H1 | 118.6° | 120.0° |
| C4 | C3 | C5 | 108.9° | 109.4° |
| C3 | C4 | N5 | 123.9° | 120.0° |
| C4 | C3 | H2 | 109.5° | 109.5° |
| C3 | C4 | H3 | 118.1° | 120.0° |
| C3 | C5 | C6 | 112.2° | 109.5° |
| C5 | C3 | H2 | 109.6° | 109.5° |
| C3 | C5 | H4 | 108.8° | 109.5° |
| C3 | C5 | H5 | 108.8° | 109.5° |
| N5 | C4 | H3 | 118.0° | 120.0° |
| C4 | N5 | H31 | 112.0° | 120.0° |
| C5 | C6 | C7 | 111.8° | 110.5° |
| C5 | C6 | C10 | 108.7° | 110.5° |
| C6 | C5 | H4 | 108.8° | 109.5° |
| C6 | C5 | H5 | 108.8° | 109.4° |
| C5 | C6 | H6 | 110.2° | 110.4° |
| C7 | C6 | C10 | 105.8° | 104.2° |
| C6 | C7 | C9 | 103.5° | 101.8° |
| C7 | C6 | H6 | 110.2° | 110.5° |
| C6 | C7 | H7 | 110.9° | 110.9° |
| C6 | C7 | H8 | 110.9° | 111.0° |
| C6 | C10 | N3 | 108.8° | 110.1° |
| C6 | C10 | O3 | 124.8° | 125.0° |
| C10 | C6 | H6 | 110.1° | 110.6° |
| C7 | C9 | N3 | 105.9° | 105.5° |
| C9 | C7 | H7 | 111.0° | 111.0° |
| C9 | C7 | H8 | 110.9° | 111.0° |
| C7 | C9 | H11 | 110.4° | 110.2° |
| C7 | C9 | H12 | 110.4° | 110.2° |
| N2 | C8 | C11 | 112.2° | 109.5° |
| C8 | N2 | C14 | 120.8° | 120.0° |
| C8 | N2 | H10 | 119.6° | 120.0° |
| N2 | C8 | H9 | 108.6° | 109.5° |
| C8 | C11 | C12 | 109.0° | 109.4° |
| C8 | C11 | C13 | 113.0° | 109.5° |
| C8 | C11 | C25 | 110.4° | 109.5° |
| C11 | C8 | H9 | 107.7° | 109.4° |
| N2 | C14 | O4 | 121.6° | 120.0° |
| N2 | C14 | C15 | 118.2° | 120.0° |
| C14 | N2 | H10 | 119.6° | 120.0° |
| C9 | N3 | C10 | 111.4° | 111.3° |
| C9 | N3 | H13 | 124.3° | 124.3° |
| N3 | C9 | H11 | 110.4° | 110.3° |
| N3 | C9 | H12 | 110.3° | 110.2° |
| N3 | C10 | O3 | 126.3° | 125.0° |
| C10 | N3 | H13 | 124.3° | 124.3° |
| C12 | C11 | C13 | 107.0° | 109.5° |
| C12 | C11 | C25 | 107.8° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.4° |
| C11 | C12 | H15 | 109.5° | 109.4° |
| C11 | C12 | H16 | 109.5° | 109.4° |
| C13 | C11 | C25 | 109.4° | 109.5° |
| C11 | C13 | H17 | 109.5° | 109.5° |
| C11 | C13 | H18 | 109.5° | 109.5° |
| C11 | C13 | H19 | 109.4° | 109.4° |
| C11 | C25 | F4 | 109.7° | 109.5° |
| C11 | C25 | F5 | 109.7° | 109.5° |
| C11 | C25 | F6 | 110.6° | 109.5° |
| O4 | C14 | C15 | 120.2° | 120.0° |
| C14 | C15 | F1 | 109.1° | 109.5° |
| C14 | C15 | F2 | 110.6° | 109.4° |
| C14 | C15 | F3 | 110.3° | 109.5° |
| F1 | C15 | F2 | 108.1° | 109.5° |
| F1 | C15 | F3 | 108.7° | 109.5° |
| F2 | C15 | F3 | 109.9° | 109.5° |
| C16 | N4 | C18 | 111.6° | 104.3° |
| N4 | C16 | C17 | 107.5° | 104.8° |
| N4 | C16 | H20 | 110.6° | 110.4° |
| N4 | C18 | C19 | 107.0° | 104.6° |
| N4 | C18 | H22 | 110.1° | 110.4° |
| N4 | C18 | H23 | 110.1° | 110.4° |
| C16 | C17 | C19 | 106.9° | 104.7° |
| C16 | C17 | C22 | 111.9° | 107.9° |
| C17 | C16 | H20 | 109.5° | 110.5° |
| C16 | C17 | H21 | 112.1° | 113.1° |
| C19 | C17 | C22 | 101.5° | 103.5° |
| C17 | C19 | C18 | 106.0° | 104.6° |
| C17 | C19 | C20 | 101.2° | 103.5° |
| C19 | C17 | H21 | 111.9° | 113.2° |
| C17 | C19 | H24 | 111.6° | 113.2° |
| C17 | C22 | C21 | 104.8° | 100.5° |
| C17 | C22 | C23 | 106.7° | 104.1° |
| C22 | C17 | H21 | 112.0° | 113.7° |
| C17 | C22 | H28 | 113.9° | 116.2° |
| C18 | C19 | C20 | 114.4° | 107.8° |
| C19 | C18 | H22 | 110.1° | 110.5° |
| C19 | C18 | H23 | 110.1° | 110.5° |
| C18 | C19 | H24 | 111.7° | 113.2° |
| C19 | C20 | C21 | 103.5° | 100.5° |
| C19 | C20 | C24 | 109.0° | 104.1° |
| C20 | C19 | H24 | 111.5° | 113.7° |
| C19 | C20 | H25 | 113.8° | 116.2° |
| C21 | C20 | C24 | 100.9° | 99.8° |
| C20 | C21 | C22 | 88.4° | 93.3° |
| C21 | C20 | H25 | 114.0° | 116.6° |
| C20 | C21 | H26 | 114.5° | 112.5° |
| C20 | C21 | H27 | 114.4° | 112.5° |
| C20 | C24 | C23 | 106.7° | 108.4° |
| C24 | C20 | H25 | 114.4° | 116.9° |
| C20 | C24 | H30 | 126.7° | 125.8° |
| C21 | C22 | C23 | 102.2° | 99.8° |
| C22 | C21 | H26 | 114.5° | 112.5° |
| C22 | C21 | H27 | 114.5° | 112.5° |
| C21 | C22 | H28 | 113.7° | 116.6° |
| C22 | C23 | C24 | 104.9° | 108.4° |
| C23 | C22 | H28 | 114.4° | 117.0° |
| C22 | C23 | H29 | 127.5° | 125.8° |
| C24 | C23 | H29 | 127.5° | 125.8° |
| C23 | C24 | H30 | 126.6° | 125.8° |
| F4 | C25 | F5 | 108.7° | 109.5° |
| F4 | C25 | F6 | 108.0° | 109.4° |
| F5 | C25 | F6 | 110.1° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.4° |
| H7 | C7 | H8 | 109.5° | 110.8° |
| H14 | C12 | H15 | 109.5° | 109.4° |
| H14 | C12 | H16 | 109.4° | 109.5° |
| H15 | C12 | H16 | 109.4° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H17 | C13 | H19 | 109.5° | 109.4° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 110.4° |
| H26 | C21 | H27 | 109.4° | 112.2° |
| H11 | C9 | H12 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | C8 | N4 | 178.2° | 179.8° |
| O2 | C1 | C8 | N2 | 57.2° | 37.3° |
| O2 | C1 | C8 | C11 | 67.0° | 82.7° |
| O2 | C1 | N4 | C16 | 2.5° | 4.9° |
| O2 | C1 | N4 | C18 | 179.8° | 175.5° |
| O2 | C1 | C8 | H9 | 174.3° | 157.3° |
| C1 | C8 | N2 | C11 | 124.3° | 120.0° |
| C1 | C8 | N2 | H9 | 116.8° | 120.0° |
| C1 | C8 | C11 | H9 | 118.8° | 120.0° |
| C1 | C8 | N2 | C14 | 112.3° | 155.0° |
| C1 | C8 | C11 | C12 | 50.3° | 59.0° |
| C1 | C8 | C11 | C13 | 68.6° | 61.0° |
| C1 | C8 | C11 | C25 | 168.5° | 179.0° |
| C8 | C1 | N4 | C16 | 179.2° | 174.8° |
| C8 | C1 | N4 | C18 | 1.5° | 4.8° |
| C1 | C8 | N2 | H10 | 67.7° | 25.1° |
| C1 | N4 | C16 | C2 | 66.3° | 21.2° |
| N4 | C1 | C8 | N2 | 121.0° | 142.5° |
| N4 | C1 | C8 | C11 | 114.8° | 97.5° |
| C1 | N4 | C16 | C18 | 178.0° | 179.7° |
| C1 | N4 | C16 | C17 | 174.7° | 140.0° |
| C1 | N4 | C18 | C19 | 171.3° | 140.0° |
| N4 | C1 | C8 | H9 | 3.9° | 22.5° |
| C1 | N4 | C16 | H20 | 55.2° | 101.0° |
| C1 | N4 | C18 | H22 | 51.7° | 101.1° |
| C1 | N4 | C18 | H23 | 69.1° | 21.2° |
| O1 | C2 | N1 | C16 | 179.3° | 180.0° |
| O1 | C2 | N1 | C3 | 0.8° | 0.0° |
| O1 | C2 | C16 | N4 | 41.7° | 37.7° |
| O1 | C2 | C16 | C17 | 76.2° | 77.6° |
| O1 | C2 | N1 | H1 | 179.1° | 180.0° |
| O1 | C2 | C16 | H20 | 163.7° | 160.0° |
| C2 | N1 | C3 | H1 | 180.0° | 180.0° |
| C2 | N1 | C3 | C4 | 123.5° | 82.9° |
| C2 | N1 | C3 | C5 | 117.4° | 157.2° |
| N1 | C2 | C16 | N4 | 137.6° | 142.3° |
| N1 | C2 | C16 | C17 | 104.5° | 102.4° |
| C2 | N1 | C3 | H2 | 3.2° | 37.1° |
| N1 | C2 | C16 | H20 | 15.7° | 20.0° |
| C16 | C2 | N1 | C3 | 179.8° | 180.0° |
| C2 | C16 | N4 | C17 | 119.0° | 118.8° |
| C2 | C16 | N4 | H20 | 121.5° | 122.2° |
| C2 | C16 | N4 | C18 | 111.7° | 159.1° |
| C2 | C16 | C17 | H20 | 120.3° | 122.3° |
| C2 | C16 | C17 | C19 | 118.7° | 142.9° |
| C2 | C16 | C17 | C22 | 131.1° | 107.3° |
| C16 | C2 | N1 | H1 | 0.2° | 0.0° |
| C2 | C16 | C17 | H21 | 4.3° | 19.3° |
| N1 | C3 | C4 | C5 | 119.4° | 120.0° |
| N1 | C3 | C4 | H2 | 120.8° | 120.0° |
| N1 | C3 | C5 | H2 | 121.0° | 120.0° |
| N1 | C3 | C4 | N5 | 144.6° | 0.0° |
| N1 | C3 | C5 | C6 | 65.4° | 65.7° |
| N1 | C3 | C4 | H3 | 35.4° | 180.0° |
| N1 | C3 | C5 | H4 | 55.0° | 54.3° |
| N1 | C3 | C5 | H5 | 174.2° | 174.3° |
| C4 | C3 | C5 | H2 | 119.7° | 120.0° |
| C3 | C4 | N5 | H3 | 180.0° | 180.0° |
| C4 | C3 | C5 | C6 | 175.3° | 174.3° |
| C4 | C3 | C5 | H4 | 64.3° | 65.7° |
| C4 | C3 | C5 | H5 | 54.9° | 54.3° |
| C4 | C3 | N1 | H1 | 56.5° | 97.2° |
| C3 | C4 | N5 | H31 | 180.0° | 179.9° |
| C5 | C3 | C4 | N5 | 96.0° | 120.0° |
| C3 | C5 | C6 | H4 | 120.4° | 120.1° |
| C3 | C5 | C6 | H5 | 120.4° | 120.0° |
| C3 | C5 | C6 | C7 | 65.7° | 65.3° |
| C3 | C5 | C6 | C10 | 177.9° | 179.9° |
| C5 | C3 | C4 | H3 | 84.0° | 60.0° |
| C3 | C5 | H4 | H5 | 118.8° | 120.0° |
| C3 | C5 | C6 | H6 | 57.2° | 57.3° |
| C5 | C3 | N1 | H1 | 62.6° | 22.8° |
| N5 | C4 | C3 | H2 | 23.8° | 120.0° |
| C5 | C6 | C7 | C10 | 118.2° | 118.7° |
| C5 | C6 | C7 | H6 | 122.9° | 122.5° |
| C5 | C6 | C10 | H6 | 120.8° | 122.5° |
| C5 | C6 | C7 | C9 | 138.7° | 143.5° |
| C5 | C6 | C10 | N3 | 133.6° | 135.0° |
| C5 | C6 | C10 | O3 | 46.6° | 45.1° |
| C6 | C5 | C3 | H2 | 55.6° | 54.3° |
| C6 | C5 | H4 | H5 | 118.8° | 119.9° |
| C5 | C6 | C7 | H7 | 19.6° | 25.3° |
| C5 | C6 | C7 | H8 | 102.3° | 98.3° |
| C7 | C6 | C10 | H6 | 119.0° | 118.8° |
| C6 | C7 | C9 | H7 | 119.0° | 118.1° |
| C6 | C7 | C9 | H8 | 119.0° | 118.2° |
| C6 | C7 | C9 | N3 | 20.5° | 25.4° |
| C7 | C6 | C10 | N3 | 13.4° | 16.3° |
| C7 | C6 | C10 | O3 | 166.8° | 163.8° |
| C7 | C6 | C5 | H4 | 173.9° | 174.6° |
| C7 | C6 | C5 | H5 | 54.7° | 54.7° |
| C6 | C7 | H7 | H8 | 122.8° | 123.8° |
| C6 | C7 | C9 | H11 | 140.0° | 144.4° |
| C6 | C7 | C9 | H12 | 98.8° | 93.6° |
| C10 | C6 | C7 | C9 | 20.5° | 24.8° |
| C6 | C10 | N3 | C9 | 0.0° | 0.3° |
| C6 | C10 | N3 | O3 | 179.8° | 179.9° |
| C10 | C6 | C5 | H4 | 57.5° | 59.8° |
| C10 | C6 | C5 | H5 | 61.7° | 60.1° |
| C10 | C6 | C7 | H7 | 98.6° | 93.3° |
| C10 | C6 | C7 | H8 | 139.5° | 143.0° |
| C6 | C10 | N3 | H13 | 180.0° | 179.6° |
| C7 | C9 | N3 | H11 | 119.4° | 119.0° |
| C7 | C9 | N3 | H12 | 119.4° | 118.9° |
| C7 | C9 | N3 | C10 | 13.3° | 16.9° |
| C9 | C7 | C6 | H6 | 98.5° | 94.0° |
| C9 | C7 | H7 | H8 | 122.8° | 123.9° |
| C7 | C9 | N3 | H13 | 166.7° | 163.0° |
| C7 | C9 | H11 | H12 | 121.7° | 121.9° |
| N2 | C8 | C11 | H9 | 119.5° | 120.0° |
| C8 | N2 | C14 | H10 | 180.0° | 179.9° |
| N2 | C8 | C11 | C12 | 172.0° | 61.0° |
| N2 | C8 | C11 | C13 | 53.1° | 179.0° |
| N2 | C8 | C11 | C25 | 69.8° | 59.0° |
| C8 | N2 | C14 | O4 | 1.4° | 0.0° |
| C8 | N2 | C14 | C15 | 179.6° | 180.0° |
| C11 | C8 | N2 | C14 | 123.4° | 84.9° |
| C8 | C11 | C12 | C13 | 122.6° | 120.0° |
| C8 | C11 | C12 | C25 | 119.8° | 120.0° |
| C8 | C11 | C13 | C25 | 123.4° | 120.0° |
| C8 | C11 | C25 | F4 | 174.3° | 60.0° |
| C8 | C11 | C25 | F5 | 55.0° | 180.0° |
| C8 | C11 | C25 | F6 | 66.6° | 60.0° |
| C11 | C8 | N2 | H10 | 56.6° | 95.0° |
| C8 | C11 | C12 | H14 | 180.0° | 60.0° |
| C8 | C11 | C12 | H15 | 60.0° | 180.0° |
| C8 | C11 | C12 | H16 | 60.0° | 60.0° |
| C8 | C11 | C13 | H17 | 180.0° | 64.4° |
| C8 | C11 | C13 | H18 | 60.0° | 175.5° |
| C8 | C11 | C13 | H19 | 60.0° | 55.5° |
| N2 | C14 | O4 | C15 | 179.0° | 180.0° |
| N2 | C14 | C15 | F1 | 38.5° | 180.0° |
| N2 | C14 | C15 | F2 | 80.2° | 60.0° |
| N2 | C14 | C15 | F3 | 157.9° | 60.0° |
| C14 | N2 | C8 | H9 | 4.4° | 35.0° |
| C9 | N3 | C10 | H13 | 180.0° | 180.0° |
| C9 | N3 | C10 | O3 | 179.8° | 179.6° |
| N3 | C9 | C7 | H7 | 98.5° | 92.7° |
| N3 | C9 | C7 | H8 | 139.6° | 143.5° |
| N3 | C9 | H11 | H12 | 121.7° | 122.0° |
| N3 | C10 | C6 | H6 | 105.6° | 102.5° |
| C10 | N3 | C9 | H11 | 132.7° | 136.0° |
| C10 | N3 | C9 | H12 | 106.1° | 102.0° |
| O3 | C10 | C6 | H6 | 74.2° | 77.4° |
| O3 | C10 | N3 | H13 | 0.2° | 0.5° |
| C12 | C11 | C13 | C25 | 116.6° | 120.0° |
| C12 | C11 | C25 | F4 | 55.4° | 60.0° |
| C12 | C11 | C25 | F5 | 63.9° | 60.0° |
| C12 | C11 | C25 | F6 | 174.4° | 180.0° |
| C12 | C11 | C8 | H9 | 68.6° | 179.0° |
| C11 | C12 | H14 | H15 | 120.0° | 119.9° |
| C11 | C12 | H14 | H16 | 120.0° | 120.0° |
| C11 | C12 | H15 | H16 | 120.0° | 120.0° |
| C12 | C11 | C13 | H17 | 60.0° | 175.6° |
| C12 | C11 | C13 | H18 | 180.0° | 55.6° |
| C12 | C11 | C13 | H19 | 60.0° | 64.5° |
| C13 | C11 | C25 | F4 | 60.7° | 180.0° |
| C13 | C11 | C25 | F5 | 180.0° | 60.0° |
| C13 | C11 | C25 | F6 | 58.4° | 60.0° |
| C13 | C11 | C8 | H9 | 172.6° | 59.0° |
| C13 | C11 | C12 | H14 | 57.5° | 60.0° |
| C13 | C11 | C12 | H15 | 62.6° | 60.0° |
| C13 | C11 | C12 | H16 | 177.4° | 180.0° |
| C11 | C13 | H17 | H18 | 120.0° | 120.0° |
| C11 | C13 | H17 | H19 | 120.0° | 119.9° |
| C11 | C13 | H18 | H19 | 120.0° | 120.0° |
| C11 | C25 | F4 | F5 | 119.9° | 120.0° |
| C11 | C25 | F4 | F6 | 120.6° | 120.0° |
| C11 | C25 | F5 | F6 | 121.9° | 120.0° |
| C25 | C11 | C8 | H9 | 49.7° | 61.0° |
| C25 | C11 | C12 | H14 | 60.2° | 180.0° |
| C25 | C11 | C12 | H15 | 179.8° | 60.0° |
| C25 | C11 | C12 | H16 | 59.8° | 60.0° |
| C25 | C11 | C13 | H17 | 56.6° | 55.6° |
| C25 | C11 | C13 | H18 | 63.4° | 64.4° |
| C25 | C11 | C13 | H19 | 176.6° | 175.6° |
| O4 | C14 | C15 | F1 | 142.5° | 0.1° |
| O4 | C14 | C15 | F2 | 98.8° | 120.1° |
| O4 | C14 | C15 | F3 | 23.1° | 120.0° |
| O4 | C14 | N2 | H10 | 178.6° | 179.9° |
| C14 | C15 | F1 | F2 | 120.3° | 120.0° |
| C14 | C15 | F1 | F3 | 120.4° | 120.0° |
| C14 | C15 | F2 | F3 | 122.1° | 120.0° |
| C15 | C14 | N2 | H10 | 0.4° | 0.0° |
| F1 | C15 | F2 | F3 | 118.5° | 120.0° |
| N4 | C16 | C17 | H20 | 120.2° | 118.9° |
| N4 | C16 | C17 | C19 | 0.8° | 24.1° |
| N4 | C16 | C17 | C22 | 109.4° | 133.9° |
| C16 | N4 | C18 | C19 | 10.9° | 40.3° |
| N4 | C16 | C17 | H21 | 123.8° | 99.5° |
| C16 | N4 | C18 | H22 | 130.5° | 78.6° |
| C16 | N4 | C18 | H23 | 108.8° | 159.1° |
| C18 | N4 | C16 | C17 | 7.3° | 40.3° |
| N4 | C18 | C19 | C17 | 9.8° | 24.3° |
| N4 | C18 | C19 | H22 | 119.6° | 118.8° |
| N4 | C18 | C19 | H23 | 119.6° | 118.8° |
| N4 | C18 | C19 | C20 | 100.8° | 134.0° |
| C18 | N4 | C16 | H20 | 126.8° | 78.7° |
| N4 | C18 | H22 | H23 | 121.1° | 122.3° |
| N4 | C18 | C19 | H24 | 131.5° | 99.4° |
| C16 | C17 | C19 | C22 | 117.3° | 112.9° |
| C16 | C17 | C19 | H21 | 123.1° | 123.6° |
| C16 | C17 | C22 | H21 | 126.9° | 126.2° |
| C16 | C17 | C19 | C18 | 5.5° | 0.1° |
| C16 | C17 | C19 | C20 | 114.1° | 112.9° |
| C16 | C17 | C22 | C21 | 149.0° | 146.9° |
| C16 | C17 | C22 | C23 | 41.0° | 43.8° |
| C16 | C17 | C19 | H24 | 127.3° | 123.6° |
| C16 | C17 | C22 | H28 | 86.1° | 86.4° |
| C19 | C17 | C22 | H21 | 119.5° | 123.2° |
| C17 | C19 | C18 | C20 | 110.6° | 109.7° |
| C17 | C19 | C18 | H24 | 121.7° | 123.7° |
| C17 | C19 | C20 | H24 | 118.7° | 123.2° |
| C17 | C19 | C20 | C21 | 41.3° | 36.4° |
| C17 | C19 | C20 | C24 | 65.5° | 66.7° |
| C19 | C17 | C22 | C21 | 35.4° | 36.4° |
| C19 | C17 | C22 | C23 | 72.6° | 66.7° |
| C19 | C17 | C16 | H20 | 121.0° | 94.8° |
| C17 | C19 | C18 | H22 | 129.4° | 94.5° |
| C17 | C19 | C18 | H23 | 109.8° | 143.0° |
| C17 | C19 | C20 | H25 | 165.6° | 163.2° |
| C19 | C17 | C22 | H28 | 160.3° | 163.1° |
| C22 | C17 | C19 | C18 | 122.9° | 112.8° |
| C22 | C17 | C19 | C20 | 3.3° | 0.0° |
| C17 | C22 | C21 | C20 | 57.1° | 57.1° |
| C17 | C22 | C21 | C23 | 111.2° | 106.5° |
| C17 | C22 | C21 | H28 | 125.0° | 126.5° |
| C17 | C22 | C23 | H28 | 126.9° | 129.7° |
| C17 | C22 | C23 | C24 | 73.8° | 70.3° |
| C22 | C17 | C16 | H20 | 10.8° | 14.9° |
| C22 | C17 | C19 | H24 | 115.4° | 123.5° |
| C17 | C22 | C21 | H26 | 173.4° | 173.2° |
| C17 | C22 | C21 | H27 | 59.1° | 58.9° |
| C17 | C22 | C23 | H29 | 106.2° | 109.7° |
| C18 | C19 | C20 | H24 | 127.8° | 126.3° |
| C18 | C19 | C20 | C21 | 154.8° | 146.9° |
| C18 | C19 | C20 | C24 | 48.0° | 43.8° |
| C18 | C19 | C17 | H21 | 117.6° | 123.7° |
| C19 | C18 | H22 | H23 | 121.2° | 122.5° |
| C18 | C19 | C20 | H25 | 81.0° | 86.4° |
| C19 | C20 | C21 | C24 | 112.8° | 106.5° |
| C19 | C20 | C21 | H25 | 124.1° | 126.6° |
| C19 | C20 | C24 | H25 | 128.7° | 129.7° |
| C19 | C20 | C21 | C22 | 58.9° | 57.1° |
| C19 | C20 | C24 | C23 | 70.4° | 70.2° |
| C20 | C19 | C17 | H21 | 122.8° | 123.5° |
| C20 | C19 | C18 | H22 | 18.8° | 15.2° |
| C20 | C19 | C18 | H23 | 139.6° | 107.2° |
| C19 | C20 | C21 | H26 | 175.2° | 173.2° |
| C19 | C20 | C21 | H27 | 57.3° | 58.9° |
| C19 | C20 | C24 | H30 | 109.6° | 109.7° |
| C21 | C20 | C24 | H25 | 122.8° | 126.7° |
| C20 | C21 | C22 | H26 | 116.2° | 116.1° |
| C20 | C21 | C22 | H27 | 116.2° | 116.0° |
| C20 | C21 | C22 | C23 | 54.1° | 49.4° |
| C21 | C20 | C24 | C23 | 38.1° | 33.3° |
| C21 | C20 | C19 | H24 | 77.4° | 86.8° |
| C20 | C21 | H26 | H27 | 130.0° | 128.0° |
| C20 | C21 | C22 | H28 | 177.9° | 176.3° |
| C21 | C20 | C24 | H30 | 141.9° | 146.8° |
| C24 | C20 | C21 | C22 | 53.8° | 49.4° |
| C20 | C24 | C23 | C22 | 1.2° | 0.0° |
| C20 | C24 | C23 | H30 | 180.0° | 179.9° |
| C24 | C20 | C19 | H24 | 175.8° | 170.1° |
| C24 | C20 | C21 | H26 | 62.4° | 66.7° |
| C24 | C20 | C21 | H27 | 170.1° | 165.4° |
| C20 | C24 | C23 | H29 | 178.8° | 180.0° |
| C21 | C22 | C23 | H28 | 123.4° | 126.7° |
| C21 | C22 | C23 | C24 | 36.0° | 33.3° |
| C21 | C22 | C17 | H21 | 84.1° | 86.9° |
| C22 | C21 | C20 | H25 | 176.9° | 176.3° |
| C22 | C21 | H26 | H27 | 130.0° | 128.1° |
| C21 | C22 | C23 | H29 | 144.0° | 146.7° |
| C22 | C23 | C24 | H29 | 180.0° | 180.0° |
| C23 | C22 | C17 | H21 | 167.9° | 170.1° |
| C23 | C22 | C21 | H26 | 62.2° | 66.7° |
| C23 | C22 | C21 | H27 | 170.3° | 165.4° |
| C22 | C23 | C24 | H30 | 178.8° | 179.9° |
| C23 | C24 | C20 | H25 | 161.0° | 160.0° |
| C24 | C23 | C22 | H28 | 159.4° | 160.0° |
| F4 | C25 | F5 | F6 | 118.2° | 120.0° |
| H2 | C3 | C4 | H3 | 156.2° | 59.9° |
| H2 | C3 | C5 | H4 | 176.0° | 174.4° |
| H2 | C3 | C5 | H5 | 64.8° | 65.7° |
| H2 | C3 | N1 | H1 | 176.8° | 142.8° |
| H3 | C4 | N5 | H31 | 0.1° | 0.0° |
| H4 | C5 | C6 | H6 | 63.2° | 62.8° |
| H5 | C5 | C6 | H6 | 177.6° | 177.3° |
| H6 | C6 | C7 | H7 | 142.5° | 147.9° |
| H6 | C6 | C7 | H8 | 20.6° | 24.2° |
| H7 | C7 | C9 | H11 | 20.9° | 26.4° |
| H7 | C7 | C9 | H12 | 142.1° | 148.3° |
| H8 | C7 | C9 | H11 | 101.0° | 97.4° |
| H8 | C7 | C9 | H12 | 20.2° | 24.6° |
| H10 | N2 | C8 | H9 | 175.6° | 145.1° |
| H13 | N3 | C9 | H11 | 47.3° | 44.0° |
| H13 | N3 | C9 | H12 | 73.9° | 78.1° |
| H14 | C12 | H15 | H16 | 120.0° | 120.1° |
| H17 | C13 | H18 | H19 | 120.0° | 120.0° |
| H20 | C16 | C17 | H21 | 116.0° | 141.5° |
| H21 | C17 | C19 | H24 | 4.1° | 0.0° |
| H21 | C17 | C22 | H28 | 40.8° | 39.9° |
| H22 | C18 | C19 | H24 | 108.9° | 141.8° |
| H23 | C18 | C19 | H24 | 11.9° | 19.4° |
| H24 | C19 | C20 | H25 | 46.8° | 40.0° |
| H25 | C20 | C21 | H26 | 60.7° | 60.2° |
| H25 | C20 | C21 | H27 | 66.8° | 67.7° |
| H25 | C20 | C24 | H30 | 19.0° | 20.1° |
| H26 | C21 | C22 | H28 | 61.6° | 60.2° |
| H27 | C21 | C22 | H28 | 65.9° | 67.6° |
| H28 | C22 | C23 | H29 | 20.6° | 20.0° |
| H29 | C23 | C24 | H30 | 1.2° | 0.1° |
