A1IOI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N | sing | 1.36Å | 1.37Å | Aromatic |
| C2 | N1 | doub | 1.30Å | 1.31Å | Aromatic |
| C1 | N | sing | 1.46Å | 1.49Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| N | C11 | sing | 1.37Å | 1.37Å | Aromatic |
| N1 | C3 | sing | 1.36Å | 1.39Å | Aromatic |
| C11 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | N6 | sing | 1.33Å | 1.33Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.42Å | Aromatic |
| O2 | C16 | sing | 1.43Å | 1.44Å | |
| N6 | C10 | doub | 1.32Å | 1.34Å | Aromatic |
| C18 | C16 | sing | 1.53Å | 1.52Å | |
| C4 | N2 | sing | 1.38Å | 1.40Å | |
| C4 | N5 | doub | 1.33Å | 1.34Å | Aromatic |
| N2 | C5 | sing | 1.39Å | 1.40Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.56Å | |
| C10 | N5 | sing | 1.33Å | 1.35Å | Aromatic |
| C10 | N7 | sing | 1.39Å | 1.37Å | |
| C5 | C6 | doub | 1.36Å | 1.37Å | Aromatic |
| C5 | N4 | sing | 1.36Å | 1.42Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| N7 | C15 | sing | 1.48Å | 1.48Å | |
| N7 | C12 | sing | 1.48Å | 1.47Å | |
| C15 | C14 | sing | 1.54Å | 1.53Å | |
| N4 | C8 | sing | 1.47Å | 1.46Å | |
| N4 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| O1 | S | doub | 1.42Å | 1.44Å | |
| C7 | N3 | doub | 1.31Å | 1.38Å | Aromatic |
| C7 | S | sing | 1.76Å | 1.78Å | |
| C12 | C13 | sing | 1.55Å | 1.52Å | |
| C14 | C13 | sing | 1.55Å | 1.48Å | |
| S | C9 | sing | 1.81Å | 1.76Å | |
| S | O | doub | 1.42Å | 1.43Å | |
| C13 | F | sing | 1.40Å | 1.38Å | |
| C13 | F1 | sing | 1.40Å | 1.37Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | 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 | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| N2 | H25 | sing | 0.97Å | 1.00Å | |
| C6 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C2 | N1 | 114.2° | 109.9° |
| C2 | N | C1 | 130.0° | 126.2° |
| C2 | N | C11 | 105.7° | 107.4° |
| N | C2 | H3 | 122.9° | 125.1° |
| C2 | N1 | C3 | 103.6° | 109.4° |
| N1 | C2 | H3 | 122.9° | 125.0° |
| N | C1 | C | 112.0° | 109.4° |
| C1 | N | C11 | 124.3° | 126.3° |
| N | C1 | H1 | 108.8° | 109.5° |
| N | C1 | H2 | 108.8° | 109.5° |
| C | C1 | H1 | 108.8° | 109.5° |
| C | C1 | H2 | 108.8° | 109.4° |
| C1 | C | H22 | 109.5° | 109.4° |
| C1 | C | H23 | 109.5° | 109.5° |
| C1 | C | H24 | 109.4° | 109.5° |
| N | C11 | C3 | 105.9° | 106.0° |
| N | C11 | N6 | 127.5° | 134.8° |
| N1 | C3 | C11 | 110.6° | 107.2° |
| N1 | C3 | C4 | 133.2° | 134.5° |
| C3 | C11 | N6 | 126.6° | 119.2° |
| C11 | C3 | C4 | 116.2° | 118.3° |
| C11 | N6 | C10 | 112.4° | 120.6° |
| C3 | C4 | N2 | 123.0° | 120.7° |
| C3 | C4 | N5 | 119.0° | 118.6° |
| O2 | C16 | C18 | 106.8° | 109.5° |
| O2 | C16 | C17 | 107.3° | 109.5° |
| O2 | C16 | C15 | 108.8° | 109.5° |
| C16 | O2 | H15 | 109.5° | 114.0° |
| N6 | C10 | N5 | 127.5° | 122.3° |
| N6 | C10 | N7 | 119.3° | 118.9° |
| C18 | C16 | C17 | 110.4° | 109.5° |
| C18 | C16 | C15 | 113.1° | 109.5° |
| C16 | C18 | H16 | 109.5° | 109.5° |
| C16 | C18 | H17 | 109.5° | 109.5° |
| C16 | C18 | H18 | 109.5° | 109.5° |
| N2 | C4 | N5 | 117.9° | 120.7° |
| C4 | N2 | C5 | 126.0° | 120.0° |
| C4 | N2 | H25 | 117.0° | 120.0° |
| C4 | N5 | C10 | 118.2° | 121.1° |
| N2 | C5 | C6 | 132.7° | 126.3° |
| N2 | C5 | N4 | 120.4° | 126.3° |
| C5 | N2 | H25 | 117.0° | 120.0° |
| C17 | C16 | C15 | 110.2° | 109.4° |
| C16 | C17 | H19 | 109.5° | 109.5° |
| C16 | C17 | H20 | 109.5° | 109.4° |
| C16 | C17 | H21 | 109.5° | 109.5° |
| C16 | C15 | N7 | 117.0° | 110.1° |
| C16 | C15 | C14 | 114.4° | 109.9° |
| C16 | C15 | H14 | 107.0° | 109.9° |
| N5 | C10 | N7 | 113.1° | 118.8° |
| C10 | N7 | C15 | 124.4° | 111.0° |
| C10 | N7 | C12 | 122.7° | 111.1° |
| C6 | C5 | N4 | 106.9° | 107.5° |
| C5 | C6 | C7 | 105.4° | 107.8° |
| C5 | C6 | H26 | 127.3° | 126.1° |
| C5 | N4 | C8 | 129.5° | 126.1° |
| C5 | N4 | N3 | 111.3° | 107.8° |
| C6 | C7 | N3 | 111.9° | 108.4° |
| C6 | C7 | S | 126.5° | 125.8° |
| C7 | C6 | H26 | 127.3° | 126.1° |
| C15 | N7 | C12 | 110.0° | 105.8° |
| N7 | C15 | C14 | 102.7° | 107.0° |
| N7 | C15 | H14 | 108.0° | 109.9° |
| N7 | C12 | C13 | 100.7° | 103.3° |
| N7 | C12 | H10 | 111.6° | 110.6° |
| N7 | C12 | H11 | 111.6° | 110.8° |
| C15 | C14 | C13 | 105.1° | 105.1° |
| C15 | C14 | H12 | 110.5° | 110.3° |
| C15 | C14 | H13 | 110.6° | 110.4° |
| C14 | C15 | H14 | 107.3° | 109.9° |
| C8 | N4 | N3 | 119.1° | 126.1° |
| N4 | C8 | H4 | 109.5° | 109.6° |
| N4 | C8 | H5 | 109.5° | 109.5° |
| N4 | C8 | H6 | 109.5° | 109.5° |
| N4 | N3 | C7 | 104.4° | 108.4° |
| O1 | S | C7 | 108.9° | 104.3° |
| O1 | S | C9 | 108.8° | 110.6° |
| O1 | S | O | 118.2° | 121.0° |
| N3 | C7 | S | 121.5° | 125.8° |
| C7 | S | C9 | 100.4° | 104.4° |
| C7 | S | O | 110.7° | 104.2° |
| C12 | C13 | C14 | 101.1° | 102.9° |
| C12 | C13 | F | 112.4° | 110.8° |
| C12 | C13 | F1 | 111.6° | 110.7° |
| C13 | C12 | H10 | 111.6° | 110.6° |
| C13 | C12 | H11 | 111.6° | 110.7° |
| C14 | C13 | F | 112.8° | 110.7° |
| C14 | C13 | F1 | 116.6° | 110.8° |
| C13 | C14 | H12 | 110.6° | 110.3° |
| C13 | C14 | H13 | 110.5° | 110.3° |
| C9 | S | O | 108.3° | 110.5° |
| S | C9 | H7 | 109.5° | 109.4° |
| S | C9 | H8 | 109.5° | 109.4° |
| S | C9 | H9 | 109.5° | 109.5° |
| F | C13 | F1 | 102.7° | 110.7° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.5° | 109.4° |
| H4 | C8 | H6 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.4° |
| H7 | C9 | H8 | 109.5° | 109.5° |
| H7 | C9 | H9 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.4° | 109.5° |
| H10 | C12 | H11 | 109.5° | 110.6° |
| H12 | C14 | H13 | 109.5° | 110.3° |
| H16 | C18 | H17 | 109.5° | 109.4° |
| H16 | C18 | H18 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.4° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.4° |
| H19 | C17 | H21 | 109.4° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.5° |
| H22 | C | H23 | 109.4° | 109.5° |
| H22 | C | H24 | 109.5° | 109.5° |
| H23 | C | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C2 | N1 | H3 | 180.0° | 179.7° |
| C2 | N | C1 | C11 | 176.5° | 179.9° |
| C2 | N | C1 | C | 120.2° | 95.0° |
| N | C2 | N1 | C3 | 2.1° | 0.0° |
| C2 | N | C11 | C3 | 1.5° | 0.0° |
| C2 | N | C11 | N6 | 179.6° | 179.9° |
| C2 | N | C1 | H1 | 119.4° | 25.0° |
| C2 | N | C1 | H2 | 0.2° | 145.0° |
| N1 | C2 | N | C1 | 179.4° | 180.0° |
| N1 | C2 | N | C11 | 2.4° | 0.0° |
| C2 | N1 | C3 | C11 | 1.1° | 0.0° |
| C2 | N1 | C3 | C4 | 179.2° | 180.0° |
| N | C1 | C | H1 | 120.4° | 120.0° |
| N | C1 | C | H2 | 120.4° | 120.0° |
| C1 | N | C11 | C3 | 178.7° | 180.0° |
| C1 | N | C11 | N6 | 2.4° | 0.0° |
| N | C1 | H1 | H2 | 118.9° | 120.1° |
| C1 | N | C2 | H3 | 0.6° | 0.3° |
| N | C1 | C | H22 | 180.0° | 60.0° |
| N | C1 | C | H23 | 60.0° | 180.0° |
| N | C1 | C | H24 | 60.0° | 60.0° |
| C | C1 | N | C11 | 56.3° | 85.0° |
| C | C1 | H1 | H2 | 118.8° | 120.0° |
| C1 | C | H22 | H23 | 120.0° | 120.0° |
| C1 | C | H22 | H24 | 120.0° | 120.0° |
| C1 | C | H23 | H24 | 120.0° | 120.0° |
| N | C11 | C3 | N1 | 0.3° | 0.0° |
| N | C11 | C3 | N6 | 178.9° | 180.0° |
| N | C11 | C3 | C4 | 178.2° | 180.0° |
| N | C11 | N6 | C10 | 178.8° | 180.0° |
| C11 | N | C1 | H1 | 64.1° | 155.0° |
| C11 | N | C1 | H2 | 176.7° | 34.9° |
| C11 | N | C2 | H3 | 177.6° | 179.7° |
| N1 | C3 | C11 | C4 | 178.5° | 180.0° |
| N1 | C3 | C11 | N6 | 179.2° | 180.0° |
| N1 | C3 | C4 | N2 | 0.7° | 0.1° |
| N1 | C3 | C4 | N5 | 178.4° | 180.0° |
| C3 | N1 | C2 | H3 | 177.8° | 179.7° |
| C3 | C11 | N6 | C10 | 0.1° | 0.0° |
| C11 | C3 | C4 | N2 | 177.4° | 180.0° |
| C11 | C3 | C4 | N5 | 0.4° | 0.0° |
| N6 | C11 | C3 | C4 | 0.7° | 0.1° |
| C11 | N6 | C10 | N5 | 1.4° | 0.0° |
| C11 | N6 | C10 | N7 | 177.6° | 179.9° |
| C3 | C4 | N2 | N5 | 177.7° | 179.9° |
| C3 | C4 | N2 | C5 | 179.8° | 45.8° |
| C3 | C4 | N5 | C10 | 0.7° | 0.0° |
| C3 | C4 | N2 | H25 | 0.3° | 134.2° |
| O2 | C16 | C18 | C17 | 116.4° | 120.0° |
| O2 | C16 | C18 | C15 | 119.7° | 120.0° |
| O2 | C16 | C17 | C15 | 118.3° | 120.0° |
| O2 | C16 | C15 | N7 | 70.2° | 58.8° |
| O2 | C16 | C15 | C14 | 169.7° | 58.8° |
| O2 | C16 | C15 | H14 | 50.9° | 180.0° |
| O2 | C16 | C18 | H16 | 180.0° | 60.0° |
| O2 | C16 | C18 | H17 | 60.0° | 60.0° |
| O2 | C16 | C18 | H18 | 60.0° | 180.0° |
| O2 | C16 | C17 | H19 | 180.0° | 61.6° |
| O2 | C16 | C17 | H20 | 60.0° | 58.3° |
| O2 | C16 | C17 | H21 | 60.0° | 178.3° |
| N6 | C10 | N5 | C4 | 1.7° | 0.1° |
| N6 | C10 | N5 | N7 | 176.4° | 179.9° |
| N6 | C10 | N7 | C15 | 14.3° | 164.3° |
| N6 | C10 | N7 | C12 | 173.2° | 78.3° |
| C18 | C16 | C17 | C15 | 125.6° | 120.0° |
| C18 | C16 | C15 | N7 | 48.3° | 61.2° |
| C18 | C16 | C15 | C14 | 71.7° | 178.8° |
| C18 | C16 | C15 | H14 | 169.5° | 60.0° |
| C18 | C16 | O2 | H15 | 180.0° | 180.0° |
| C16 | C18 | H16 | H17 | 120.0° | 120.0° |
| C16 | C18 | H16 | H18 | 120.0° | 120.1° |
| C16 | C18 | H17 | H18 | 120.0° | 120.1° |
| C18 | C16 | C17 | H19 | 64.0° | 178.3° |
| C18 | C16 | C17 | H20 | 56.1° | 61.7° |
| C18 | C16 | C17 | H21 | 176.1° | 58.3° |
| C4 | N2 | C5 | H25 | 180.0° | 180.0° |
| N2 | C4 | N5 | C10 | 178.5° | 179.9° |
| C4 | N2 | C5 | C6 | 43.0° | 2.9° |
| C4 | N2 | C5 | N4 | 135.9° | 177.4° |
| N5 | C4 | N2 | C5 | 2.0° | 134.1° |
| C4 | N5 | C10 | N7 | 178.1° | 180.0° |
| N5 | C4 | N2 | H25 | 178.0° | 45.9° |
| N2 | C5 | C6 | N4 | 179.0° | 179.7° |
| N2 | C5 | C6 | C7 | 178.1° | 180.0° |
| N2 | C5 | N4 | C8 | 1.1° | 0.1° |
| N2 | C5 | N4 | N3 | 179.0° | 179.9° |
| N2 | C5 | C6 | H26 | 1.9° | 0.2° |
| C17 | C16 | C15 | N7 | 172.4° | 178.8° |
| C17 | C16 | C15 | C14 | 52.3° | 61.2° |
| C17 | C16 | C15 | H14 | 66.5° | 60.0° |
| C17 | C16 | O2 | H15 | 61.6° | 60.0° |
| C17 | C16 | C18 | H16 | 63.6° | 60.1° |
| C17 | C16 | C18 | H17 | 176.4° | 180.0° |
| C17 | C16 | C18 | H18 | 56.4° | 60.0° |
| C16 | C17 | H19 | H20 | 120.0° | 120.0° |
| C16 | C17 | H19 | H21 | 120.0° | 120.0° |
| C16 | C17 | H20 | H21 | 120.0° | 120.0° |
| C16 | C15 | N7 | C10 | 79.6° | 94.7° |
| C16 | C15 | N7 | C14 | 126.2° | 119.4° |
| C16 | C15 | N7 | H14 | 120.7° | 121.2° |
| C16 | C15 | N7 | C12 | 119.3° | 144.8° |
| C16 | C15 | C14 | H14 | 118.6° | 121.1° |
| C16 | C15 | C14 | C13 | 149.6° | 120.8° |
| C16 | C15 | C14 | H12 | 30.3° | 120.3° |
| C16 | C15 | C14 | H13 | 91.2° | 1.8° |
| C15 | C16 | O2 | H15 | 57.6° | 60.0° |
| C15 | C16 | C18 | H16 | 60.3° | 180.0° |
| C15 | C16 | C18 | H17 | 59.7° | 60.1° |
| C15 | C16 | C18 | H18 | 179.7° | 60.0° |
| C15 | C16 | C17 | H19 | 61.6° | 58.3° |
| C15 | C16 | C17 | H20 | 178.3° | 178.3° |
| C15 | C16 | C17 | H21 | 58.3° | 61.7° |
| N5 | C10 | N7 | C15 | 169.0° | 15.8° |
| N5 | C10 | N7 | C12 | 10.1° | 101.6° |
| C10 | N7 | C15 | C12 | 161.2° | 120.6° |
| C10 | N7 | C15 | C14 | 154.3° | 145.9° |
| C10 | N7 | C12 | C13 | 129.9° | 159.7° |
| C10 | N7 | C12 | H10 | 11.3° | 81.8° |
| C10 | N7 | C12 | H11 | 111.5° | 41.2° |
| C10 | N7 | C15 | H14 | 41.1° | 26.5° |
| C5 | C6 | C7 | H26 | 180.0° | 179.8° |
| C6 | C5 | N4 | C8 | 178.1° | 179.7° |
| C6 | C5 | N4 | N3 | 0.2° | 0.4° |
| C5 | C6 | C7 | N3 | 1.4° | 0.0° |
| C5 | C6 | C7 | S | 179.9° | 179.7° |
| C6 | C5 | N2 | H25 | 137.1° | 177.1° |
| N4 | C5 | C6 | C7 | 0.9° | 0.2° |
| C5 | N4 | C8 | N3 | 177.7° | 179.9° |
| C5 | N4 | N3 | C7 | 0.6° | 0.4° |
| C5 | N4 | C8 | H4 | 177.8° | 90.0° |
| C5 | N4 | C8 | H5 | 57.8° | 150.0° |
| C5 | N4 | C8 | H6 | 62.3° | 30.1° |
| N4 | C5 | N2 | H25 | 44.0° | 2.6° |
| N4 | C5 | C6 | H26 | 179.1° | 180.0° |
| C6 | C7 | N3 | N4 | 1.3° | 0.2° |
| C6 | C7 | S | O1 | 55.6° | 149.3° |
| C6 | C7 | N3 | S | 178.7° | 179.7° |
| C6 | C7 | S | C9 | 58.6° | 94.6° |
| C6 | C7 | S | O | 172.9° | 21.4° |
| N7 | C15 | C14 | H14 | 113.6° | 119.3° |
| C15 | N7 | C12 | C13 | 31.7° | 39.2° |
| N7 | C15 | C14 | C13 | 21.8° | 1.2° |
| C15 | N7 | C12 | H10 | 150.2° | 157.6° |
| C15 | N7 | C12 | H11 | 86.9° | 79.4° |
| N7 | C15 | C14 | H12 | 97.5° | 120.1° |
| N7 | C15 | C14 | H13 | 141.1° | 117.7° |
| C12 | N7 | C15 | C14 | 6.9° | 25.3° |
| N7 | C12 | C13 | H10 | 118.6° | 118.4° |
| N7 | C12 | C13 | H11 | 118.6° | 118.6° |
| N7 | C12 | C13 | C14 | 43.8° | 37.4° |
| N7 | C12 | C13 | F | 76.7° | 155.8° |
| N7 | C12 | C13 | F1 | 168.5° | 81.1° |
| N7 | C12 | H10 | H11 | 124.1° | 123.1° |
| C12 | N7 | C15 | H14 | 120.0° | 94.0° |
| C15 | C14 | C13 | C12 | 41.0° | 21.9° |
| C15 | C14 | C13 | H12 | 119.3° | 118.9° |
| C15 | C14 | C13 | H13 | 119.3° | 119.0° |
| C15 | C14 | C13 | F | 79.3° | 140.3° |
| C15 | C14 | C13 | F1 | 162.2° | 96.5° |
| C15 | C14 | H12 | H13 | 122.0° | 122.2° |
| C8 | N4 | N3 | C7 | 177.5° | 179.7° |
| N4 | C8 | H4 | H5 | 120.0° | 120.0° |
| N4 | C8 | H4 | H6 | 120.0° | 120.1° |
| N4 | C8 | H5 | H6 | 120.0° | 119.9° |
| N4 | N3 | C7 | S | 180.0° | 180.0° |
| N3 | N4 | C8 | H4 | 0.0° | 90.1° |
| N3 | N4 | C8 | H5 | 120.0° | 29.9° |
| N3 | N4 | C8 | H6 | 120.0° | 149.8° |
| O1 | S | C7 | N3 | 123.0° | 30.4° |
| O1 | S | C7 | C9 | 114.2° | 116.1° |
| O1 | S | C7 | O | 131.5° | 127.9° |
| O1 | S | C9 | O | 129.7° | 136.8° |
| O1 | S | C9 | H7 | 180.0° | 171.7° |
| O1 | S | C9 | H8 | 60.0° | 68.4° |
| O1 | S | C9 | H9 | 60.0° | 51.7° |
| N3 | C7 | S | C9 | 122.8° | 85.7° |
| N3 | C7 | S | O | 8.5° | 158.3° |
| N3 | C7 | C6 | H26 | 178.6° | 179.8° |
| C7 | S | C9 | O | 116.1° | 111.6° |
| C7 | S | C9 | H7 | 65.7° | 60.0° |
| C7 | S | C9 | H8 | 174.3° | 180.0° |
| C7 | S | C9 | H9 | 54.3° | 60.0° |
| S | C7 | C6 | H26 | 0.1° | 0.0° |
| C12 | C13 | C14 | F | 120.3° | 118.4° |
| C12 | C13 | C14 | F1 | 121.2° | 118.4° |
| C12 | C13 | F | F1 | 120.1° | 123.2° |
| C13 | C12 | H10 | H11 | 124.1° | 123.0° |
| C12 | C13 | C14 | H12 | 78.3° | 96.9° |
| C12 | C13 | C14 | H13 | 160.3° | 140.9° |
| C14 | C13 | F | F1 | 126.3° | 123.3° |
| C14 | C13 | C12 | H10 | 162.4° | 155.8° |
| C14 | C13 | C12 | H11 | 74.7° | 81.2° |
| C13 | C14 | H12 | H13 | 122.0° | 122.1° |
| C13 | C14 | C15 | H14 | 91.8° | 118.1° |
| S | C9 | H7 | H8 | 120.0° | 119.9° |
| S | C9 | H7 | H9 | 120.0° | 120.0° |
| S | C9 | H8 | H9 | 120.0° | 120.0° |
| O | S | C9 | H7 | 50.4° | 51.6° |
| O | S | C9 | H8 | 69.7° | 68.4° |
| O | S | C9 | H9 | 170.4° | 171.6° |
| F | C13 | C12 | H10 | 41.9° | 85.8° |
| F | C13 | C12 | H11 | 164.7° | 37.1° |
| F | C13 | C14 | H12 | 161.4° | 21.4° |
| F | C13 | C14 | H13 | 40.0° | 100.7° |
| F1 | C13 | C12 | H10 | 72.9° | 37.4° |
| F1 | C13 | C12 | H11 | 49.9° | 160.3° |
| F1 | C13 | C14 | H12 | 42.9° | 144.7° |
| F1 | C13 | C14 | H13 | 78.5° | 22.5° |
| H1 | C1 | C | H22 | 59.6° | 60.0° |
| H1 | C1 | C | H23 | 179.6° | 60.0° |
| H1 | C1 | C | H24 | 60.4° | NaN° |
| H2 | C1 | C | H22 | 59.6° | 180.0° |
| H2 | C1 | C | H23 | 60.4° | 60.0° |
| H2 | C1 | C | H24 | 179.6° | 60.0° |
| H4 | C8 | H5 | H6 | 120.0° | 120.0° |
| H7 | C9 | H8 | H9 | 120.0° | 120.1° |
| H12 | C14 | C15 | H14 | 148.9° | 0.8° |
| H13 | C14 | C15 | H14 | 27.5° | 123.0° |
| H16 | C18 | H17 | H18 | 120.0° | 119.9° |
| H19 | C17 | H20 | H21 | 119.9° | 120.0° |
| H22 | C | H23 | H24 | 120.0° | 120.1° |
