BFK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | S | doub | 1.42Å | 1.43Å | |
| O2 | S | doub | 1.42Å | 1.43Å | |
| S | C18 | sing | 1.81Å | 1.75Å | |
| S | C16 | sing | 1.76Å | 1.77Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C22 | N4 | sing | 1.47Å | 1.47Å | |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | N4 | sing | 1.40Å | 1.42Å | |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | N3 | sing | 1.40Å | 1.41Å | |
| C21 | N5 | sing | 1.47Å | 1.46Å | |
| N4 | C19 | sing | 1.47Å | 1.47Å | |
| N3 | C3 | sing | 1.38Å | 1.37Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| C3 | N | sing | 1.32Å | 1.35Å | Aromatic |
| N1 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| N | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| N5 | C23 | sing | 1.47Å | 1.46Å | |
| N5 | C20 | sing | 1.47Å | 1.46Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | N2 | sing | 1.39Å | 1.37Å | |
| C4 | C1 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | N2 | sing | 1.40Å | 1.42Å | |
| C5 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C11 | sing | 1.51Å | 1.50Å | |
| C11 | O | sing | 1.43Å | 1.42Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.08Å | 1.08Å | |
| N3 | H25 | sing | 0.97Å | 1.00Å | |
| C | H26 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C | H28 | sing | 1.09Å | 1.10Å | |
| N2 | H29 | sing | 0.97Å | 1.00Å | |
| O | H30 | sing | 0.97Å | 0.95Å | |
| C6 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | S | O2 | 118.3° | 121.0° |
| O1 | S | C18 | 108.7° | 110.5° |
| O1 | S | C16 | 108.2° | 104.3° |
| O2 | S | C18 | 108.5° | 110.5° |
| O2 | S | C16 | 108.2° | 104.3° |
| C18 | S | C16 | 104.1° | 104.4° |
| S | C18 | H17 | 109.5° | 109.5° |
| S | C18 | H18 | 109.4° | 109.5° |
| S | C18 | H19 | 109.5° | 109.4° |
| S | C16 | C15 | 118.9° | 119.9° |
| S | C16 | C17 | 119.2° | 119.9° |
| C15 | C16 | C17 | 121.9° | 120.2° |
| C16 | C15 | C14 | 119.5° | 120.1° |
| C16 | C15 | H8 | 120.2° | 120.0° |
| C16 | C17 | C12 | 118.8° | 120.0° |
| C16 | C17 | H24 | 120.6° | 120.0° |
| C15 | C14 | C13 | 118.4° | 119.9° |
| C15 | C14 | N4 | 120.8° | 120.1° |
| C14 | C15 | H8 | 120.3° | 119.9° |
| C17 | C12 | C13 | 119.5° | 119.9° |
| C17 | C12 | N3 | 117.6° | 120.0° |
| C12 | C17 | H24 | 120.6° | 119.9° |
| C21 | C22 | N4 | 111.0° | 109.3° |
| C22 | C21 | N5 | 110.6° | 109.4° |
| C22 | C21 | H13 | 109.2° | 109.5° |
| C22 | C21 | H14 | 109.2° | 109.5° |
| C21 | C22 | H15 | 109.1° | 109.5° |
| C21 | C22 | H16 | 109.1° | 109.5° |
| C22 | N4 | C14 | 116.2° | 111.0° |
| C22 | N4 | C19 | 113.1° | 110.9° |
| N4 | C22 | H15 | 109.1° | 109.5° |
| N4 | C22 | H16 | 109.1° | 109.5° |
| C13 | C14 | N4 | 120.8° | 120.0° |
| C14 | C13 | C12 | 121.7° | 119.8° |
| C14 | C13 | H7 | 119.2° | 120.1° |
| C14 | N4 | C19 | 115.3° | 111.0° |
| C13 | C12 | N3 | 122.8° | 120.0° |
| C12 | C13 | H7 | 119.1° | 120.1° |
| C12 | N3 | C3 | 131.8° | 120.0° |
| C12 | N3 | H25 | 114.1° | 120.0° |
| C21 | N5 | C23 | 110.9° | 111.0° |
| C21 | N5 | C20 | 109.3° | 110.9° |
| N5 | C21 | H13 | 109.2° | 109.5° |
| N5 | C21 | H14 | 109.2° | 109.5° |
| N4 | C19 | C20 | 111.5° | 109.4° |
| N4 | C19 | H9 | 108.9° | 109.5° |
| N4 | C19 | H10 | 109.0° | 109.5° |
| N3 | C3 | N1 | 117.0° | 119.1° |
| N3 | C3 | N | 116.6° | 119.2° |
| C3 | N3 | H25 | 114.1° | 120.0° |
| C6 | C7 | C8 | 120.2° | 120.0° |
| C7 | C6 | C5 | 119.9° | 119.9° |
| C6 | C7 | H2 | 119.9° | 120.0° |
| C7 | C6 | H31 | 120.1° | 120.1° |
| C7 | C8 | C9 | 120.7° | 120.2° |
| C8 | C7 | H2 | 119.9° | 120.0° |
| C7 | C8 | H3 | 119.7° | 119.9° |
| C6 | C5 | N2 | 120.7° | 120.1° |
| C6 | C5 | C10 | 119.4° | 119.9° |
| C5 | C6 | H31 | 120.0° | 120.0° |
| N1 | C3 | N | 126.3° | 121.7° |
| C3 | N1 | C4 | 116.7° | 120.6° |
| C3 | N | C2 | 115.2° | 120.9° |
| N1 | C4 | N2 | 119.0° | 120.4° |
| N1 | C4 | C1 | 122.2° | 119.1° |
| N | C2 | C1 | 124.3° | 119.3° |
| N | C2 | H1 | 117.8° | 120.3° |
| C8 | C9 | C10 | 118.7° | 120.1° |
| C8 | C9 | C11 | 121.0° | 119.9° |
| C9 | C8 | H3 | 119.6° | 119.9° |
| C23 | N5 | C20 | 110.9° | 111.0° |
| N5 | C23 | H21 | 109.5° | 109.5° |
| N5 | C23 | H22 | 109.4° | 109.5° |
| N5 | C23 | H23 | 109.5° | 109.5° |
| N5 | C20 | C19 | 110.8° | 109.4° |
| N5 | C20 | H11 | 109.1° | 109.5° |
| N5 | C20 | H12 | 109.1° | 109.5° |
| C20 | C19 | H9 | 109.0° | 109.5° |
| C20 | C19 | H10 | 109.0° | 109.5° |
| C19 | C20 | H11 | 109.1° | 109.5° |
| C19 | C20 | H12 | 109.2° | 109.5° |
| C2 | C1 | C4 | 115.1° | 118.5° |
| C2 | C1 | C | 122.2° | 120.7° |
| C1 | C2 | H1 | 117.9° | 120.4° |
| N2 | C4 | C1 | 118.6° | 120.5° |
| C4 | N2 | C5 | 129.9° | 120.0° |
| C4 | N2 | H29 | 115.1° | 120.0° |
| C4 | C1 | C | 122.6° | 120.8° |
| N2 | C5 | C10 | 119.8° | 120.1° |
| C5 | N2 | H29 | 115.1° | 120.0° |
| C5 | C10 | C9 | 121.0° | 119.9° |
| C5 | C10 | H4 | 119.5° | 120.0° |
| C1 | C | H26 | 109.5° | 109.5° |
| C1 | C | H27 | 109.4° | 109.5° |
| C1 | C | H28 | 109.4° | 109.5° |
| C10 | C9 | C11 | 120.3° | 120.0° |
| C9 | C10 | H4 | 119.5° | 120.0° |
| C9 | C11 | O | 111.9° | 109.5° |
| C9 | C11 | H5 | 108.9° | 109.4° |
| C9 | C11 | H6 | 108.9° | 109.5° |
| O | C11 | H5 | 108.9° | 109.5° |
| O | C11 | H6 | 108.9° | 109.5° |
| C11 | O | H30 | 109.5° | 114.0° |
| H5 | C11 | H6 | 109.4° | 109.5° |
| H9 | C19 | H10 | 109.5° | 109.5° |
| H11 | C20 | H12 | 109.4° | 109.5° |
| H13 | C21 | H14 | 109.4° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H17 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.4° |
| H21 | C23 | H23 | 109.4° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H26 | C | H27 | 109.5° | 109.4° |
| H26 | C | H28 | 109.5° | 109.5° |
| H27 | C | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | S | O2 | C18 | 124.3° | 131.5° |
| O1 | S | O2 | C16 | 123.3° | 116.8° |
| O1 | S | C18 | C16 | 115.1° | 111.6° |
| O1 | S | C16 | C15 | 37.1° | 26.0° |
| O1 | S | C16 | C17 | 144.2° | 154.2° |
| O1 | S | C18 | H17 | 180.0° | 68.4° |
| O1 | S | C18 | H18 | 60.0° | 51.6° |
| O1 | S | C18 | H19 | 60.0° | 171.6° |
| O2 | S | C18 | C16 | 115.0° | 111.7° |
| O2 | S | C16 | C15 | 166.4° | 153.9° |
| O2 | S | C16 | C17 | 14.9° | 26.3° |
| O2 | S | C18 | H17 | 50.1° | 68.4° |
| O2 | S | C18 | H18 | 170.1° | 171.6° |
| O2 | S | C18 | H19 | 69.9° | 51.6° |
| C18 | S | C16 | C15 | 78.4° | 90.0° |
| C18 | S | C16 | C17 | 100.3° | 89.8° |
| S | C18 | H17 | H18 | 120.0° | 120.0° |
| S | C18 | H17 | H19 | 120.0° | 120.0° |
| S | C18 | H18 | H19 | 120.0° | 120.0° |
| S | C16 | C15 | C17 | 178.6° | 179.8° |
| S | C16 | C15 | C14 | 179.2° | 180.0° |
| S | C16 | C17 | C12 | 179.6° | 179.7° |
| S | C16 | C15 | H8 | 0.9° | 0.0° |
| C16 | S | C18 | H17 | 64.9° | 180.0° |
| C16 | S | C18 | H18 | 55.1° | 60.0° |
| C16 | S | C18 | H19 | 175.1° | 60.0° |
| S | C16 | C17 | H24 | 0.4° | 0.2° |
| C16 | C15 | C14 | H8 | 180.0° | 179.9° |
| C15 | C16 | C17 | C12 | 0.9° | 0.5° |
| C16 | C15 | C14 | C13 | 0.5° | 0.0° |
| C16 | C15 | C14 | N4 | 179.4° | 180.0° |
| C15 | C16 | C17 | H24 | 179.0° | 180.0° |
| C17 | C16 | C15 | C14 | 2.2° | 0.3° |
| C16 | C17 | C12 | H24 | 180.0° | 179.5° |
| C16 | C17 | C12 | C13 | 2.0° | 0.5° |
| C16 | C17 | C12 | N3 | 178.8° | 179.7° |
| C17 | C16 | C15 | H8 | 177.8° | 179.8° |
| C15 | C14 | N4 | C22 | 9.2° | 180.0° |
| C15 | C14 | C13 | N4 | 178.9° | 180.0° |
| C15 | C14 | C13 | C12 | 2.4° | 0.0° |
| C15 | C14 | N4 | C19 | 126.6° | 56.2° |
| C15 | C14 | C13 | H7 | 177.5° | 180.0° |
| C17 | C12 | C13 | C14 | 3.7° | 0.2° |
| C17 | C12 | C13 | N3 | 176.6° | 179.8° |
| C17 | C12 | N3 | C3 | 156.6° | 34.0° |
| C17 | C12 | C13 | H7 | 176.3° | 179.8° |
| C17 | C12 | N3 | H25 | 23.4° | 145.8° |
| C21 | C22 | N4 | H15 | 120.2° | 119.9° |
| C21 | C22 | N4 | H16 | 120.2° | 120.0° |
| C21 | C22 | N4 | C14 | 172.2° | 176.8° |
| C22 | C21 | N5 | H13 | 120.2° | 120.0° |
| C22 | C21 | N5 | H14 | 120.2° | 120.0° |
| C21 | C22 | N4 | C19 | 51.0° | 59.3° |
| C22 | C21 | N5 | C23 | 175.8° | 176.8° |
| C22 | C21 | N5 | C20 | 61.6° | 59.3° |
| C22 | C21 | H13 | H14 | 119.5° | 120.1° |
| C21 | C22 | H15 | H16 | 119.3° | 120.1° |
| C22 | N4 | C14 | C13 | 172.0° | 0.0° |
| C22 | N4 | C14 | C19 | 135.8° | 123.8° |
| N4 | C22 | C21 | N5 | 56.8° | 58.4° |
| C22 | N4 | C19 | C20 | 49.7° | 59.4° |
| C22 | N4 | C19 | H9 | 70.6° | 179.3° |
| C22 | N4 | C19 | H10 | 170.1° | 60.7° |
| N4 | C22 | C21 | H13 | 63.3° | 61.6° |
| N4 | C22 | C21 | H14 | 177.0° | 178.4° |
| N4 | C22 | H15 | H16 | 119.3° | 120.1° |
| C14 | C13 | C12 | H7 | 180.0° | 180.0° |
| C14 | C13 | C12 | N3 | 179.7° | 180.0° |
| C13 | C14 | N4 | C19 | 52.2° | 123.8° |
| C13 | C14 | C15 | H8 | 179.5° | 180.0° |
| N4 | C14 | C13 | C12 | 176.4° | 180.0° |
| C14 | N4 | C19 | C20 | 173.1° | 176.8° |
| N4 | C14 | C13 | H7 | 3.6° | 0.0° |
| N4 | C14 | C15 | H8 | 0.6° | 0.1° |
| C14 | N4 | C19 | H9 | 66.6° | 56.9° |
| C14 | N4 | C19 | H10 | 52.8° | 63.2° |
| C14 | N4 | C22 | H15 | 67.5° | 63.3° |
| C14 | N4 | C22 | H16 | 52.0° | 56.8° |
| C13 | C12 | N3 | C3 | 20.1° | 146.2° |
| C13 | C12 | C17 | H24 | 178.0° | 180.0° |
| C13 | C12 | N3 | H25 | 159.9° | 33.9° |
| C12 | N3 | C3 | H25 | 180.0° | 179.9° |
| C12 | N3 | C3 | N1 | 1.9° | 174.9° |
| C12 | N3 | C3 | N | 176.1° | 5.6° |
| N3 | C12 | C13 | H7 | 0.3° | 0.0° |
| N3 | C12 | C17 | H24 | 1.3° | 0.2° |
| C21 | N5 | C23 | C20 | 121.6° | 123.8° |
| C21 | N5 | C20 | C19 | 60.1° | 59.3° |
| C21 | N5 | C20 | H11 | 60.1° | 179.3° |
| C21 | N5 | C20 | H12 | 179.7° | 60.7° |
| N5 | C21 | H13 | H14 | 119.5° | 120.0° |
| N5 | C21 | C22 | H15 | 63.4° | 61.5° |
| N5 | C21 | C22 | H16 | 177.0° | 178.4° |
| C21 | N5 | C23 | H21 | 180.0° | 60.0° |
| C21 | N5 | C23 | H22 | 60.0° | 180.0° |
| C21 | N5 | C23 | H23 | 60.0° | 60.0° |
| N4 | C19 | C20 | N5 | 54.1° | 58.4° |
| N4 | C19 | C20 | H9 | 120.3° | 120.0° |
| N4 | C19 | C20 | H10 | 120.3° | 120.1° |
| N4 | C19 | H9 | H10 | 119.0° | 120.1° |
| N4 | C19 | C20 | H11 | 66.1° | 178.4° |
| N4 | C19 | C20 | H12 | 174.3° | 61.6° |
| C19 | N4 | C22 | H15 | 69.2° | 60.6° |
| C19 | N4 | C22 | H16 | 171.2° | 179.3° |
| N3 | C3 | N1 | N | 177.8° | 179.6° |
| N3 | C3 | N1 | C4 | 180.0° | 179.9° |
| N3 | C3 | N | C2 | 178.8° | 180.0° |
| C6 | C7 | C8 | H2 | 180.0° | 179.7° |
| C7 | C6 | C5 | H31 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.1° |
| C7 | C6 | C5 | N2 | 179.9° | 180.0° |
| C7 | C6 | C5 | C10 | 2.7° | 0.0° |
| C6 | C7 | C8 | H3 | 179.9° | 180.0° |
| C8 | C7 | C6 | C5 | 1.7° | 0.0° |
| C7 | C8 | C9 | H3 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.5° | 0.1° |
| C7 | C8 | C9 | C11 | 179.1° | 179.9° |
| C8 | C7 | C6 | H31 | 178.3° | 180.0° |
| C6 | C5 | N2 | C4 | 38.7° | 32.7° |
| C6 | C5 | N2 | C10 | 177.4° | 180.0° |
| C6 | C5 | C10 | C9 | 2.1° | 0.0° |
| C5 | C6 | C7 | H2 | 178.3° | 179.7° |
| C6 | C5 | C10 | H4 | 177.9° | 179.9° |
| C6 | C5 | N2 | H29 | 141.3° | 147.2° |
| N1 | C3 | N | C2 | 0.9° | 0.4° |
| C3 | N1 | C4 | N2 | 176.3° | 180.0° |
| C3 | N1 | C4 | C1 | 0.1° | 0.0° |
| N1 | C3 | N3 | H25 | 178.1° | 5.0° |
| N | C3 | N1 | C4 | 2.2° | 0.3° |
| C3 | N | C2 | C1 | 2.7° | 0.1° |
| C3 | N | C2 | H1 | 177.3° | 179.9° |
| N | C3 | N3 | H25 | 3.9° | 174.6° |
| N1 | C4 | C1 | C2 | 3.2° | 0.3° |
| N1 | C4 | N2 | C1 | 176.3° | 180.0° |
| N1 | C4 | N2 | C5 | 5.0° | 5.6° |
| N1 | C4 | C1 | C | 179.2° | 180.0° |
| N1 | C4 | N2 | H29 | 175.0° | 174.4° |
| N | C2 | C1 | H1 | 180.0° | 180.0° |
| N | C2 | C1 | C4 | 4.6° | 0.3° |
| N | C2 | C1 | C | 179.3° | 180.0° |
| C8 | C9 | C10 | C5 | 0.5° | 0.0° |
| C8 | C9 | C10 | C11 | 179.6° | 180.0° |
| C8 | C9 | C11 | O | 77.4° | 90.0° |
| C9 | C8 | C7 | H2 | 179.9° | 179.8° |
| C8 | C9 | C10 | H4 | 179.4° | 180.0° |
| C8 | C9 | C11 | H5 | 162.2° | 150.0° |
| C8 | C9 | C11 | H6 | 43.0° | 30.0° |
| C23 | N5 | C20 | C19 | 177.4° | 176.8° |
| C23 | N5 | C20 | H11 | 62.4° | 56.8° |
| C23 | N5 | C20 | H12 | 57.1° | 63.2° |
| C23 | N5 | C21 | H13 | 64.0° | 63.2° |
| C23 | N5 | C21 | H14 | 55.7° | 56.8° |
| N5 | C23 | H21 | H22 | 120.0° | 120.0° |
| N5 | C23 | H21 | H23 | 120.0° | 120.0° |
| N5 | C23 | H22 | H23 | 120.0° | 120.0° |
| N5 | C20 | C19 | H11 | 120.2° | 120.0° |
| N5 | C20 | C19 | H12 | 120.2° | 120.0° |
| N5 | C20 | C19 | H9 | 66.2° | 178.4° |
| N5 | C20 | C19 | H10 | 174.4° | 61.6° |
| N5 | C20 | H11 | H12 | 119.4° | 120.1° |
| C20 | N5 | C21 | H13 | 58.6° | 60.7° |
| C20 | N5 | C21 | H14 | 178.2° | 179.3° |
| C20 | N5 | C23 | H21 | 58.4° | 176.2° |
| C20 | N5 | C23 | H22 | 61.6° | 56.2° |
| C20 | N5 | C23 | H23 | 178.4° | 63.8° |
| C20 | C19 | H9 | H10 | 119.1° | 120.0° |
| C19 | C20 | H11 | H12 | 119.4° | 120.0° |
| C2 | C1 | C4 | N2 | 179.4° | 179.7° |
| C2 | C1 | C4 | C | 176.0° | 179.7° |
| C2 | C1 | C | H26 | 87.9° | 90.0° |
| C2 | C1 | C | H27 | 152.1° | 150.0° |
| C2 | C1 | C | H28 | 32.1° | 30.0° |
| C4 | N2 | C5 | H29 | 180.0° | 179.9° |
| C4 | N2 | C5 | C10 | 138.7° | 147.3° |
| N2 | C4 | C1 | C | 4.6° | 0.0° |
| C1 | C4 | N2 | C5 | 178.7° | 174.4° |
| C4 | C1 | C2 | H1 | 175.4° | 179.7° |
| C4 | C1 | C | H26 | 87.9° | 90.3° |
| C4 | C1 | C | H27 | 32.1° | 29.7° |
| C4 | C1 | C | H28 | 152.1° | 149.7° |
| C1 | C4 | N2 | H29 | 1.3° | 5.6° |
| N2 | C5 | C10 | C9 | 179.5° | 180.0° |
| N2 | C5 | C10 | H4 | 0.4° | 0.0° |
| N2 | C5 | C6 | H31 | 0.1° | 0.0° |
| C5 | C10 | C9 | H4 | 180.0° | 180.0° |
| C5 | C10 | C9 | C11 | 179.9° | 180.0° |
| C10 | C5 | N2 | H29 | 41.3° | 32.8° |
| C10 | C5 | C6 | H31 | 177.3° | 180.0° |
| C | C1 | C2 | H1 | 0.7° | 0.0° |
| C1 | C | H26 | H27 | 120.0° | 120.0° |
| C1 | C | H26 | H28 | 120.0° | 120.1° |
| C1 | C | H27 | H28 | 120.0° | 120.1° |
| C10 | C9 | C11 | O | 102.2° | 90.0° |
| C10 | C9 | C8 | H3 | 179.5° | 180.0° |
| C10 | C9 | C11 | H5 | 18.2° | 30.0° |
| C10 | C9 | C11 | H6 | 137.4° | 150.0° |
| C9 | C11 | O | H5 | 120.4° | 120.0° |
| C9 | C11 | O | H6 | 120.4° | 120.0° |
| C11 | C9 | C8 | H3 | 0.9° | 0.0° |
| C11 | C9 | C10 | H4 | 0.1° | 0.0° |
| C9 | C11 | H5 | H6 | 118.9° | 120.0° |
| C9 | C11 | O | H30 | 180.0° | 179.9° |
| O | C11 | H5 | H6 | 118.9° | 120.0° |
| H2 | C7 | C8 | H3 | 0.1° | 0.3° |
| H2 | C7 | C6 | H31 | 1.7° | 0.3° |
| H5 | C11 | O | H30 | 59.6° | 60.0° |
| H6 | C11 | O | H30 | 59.6° | 60.1° |
| H9 | C19 | C20 | H11 | 173.6° | 61.6° |
| H9 | C19 | C20 | H12 | 54.0° | 58.4° |
| H10 | C19 | C20 | H11 | 54.2° | 58.4° |
| H10 | C19 | C20 | H12 | 65.4° | 178.4° |
| H13 | C21 | C22 | H15 | 176.4° | 178.5° |
| H13 | C21 | C22 | H16 | 56.9° | 58.4° |
| H14 | C21 | C22 | H15 | 56.8° | 58.4° |
| H14 | C21 | C22 | H16 | 62.8° | 61.7° |
| H17 | C18 | H18 | H19 | 120.0° | 120.0° |
| H21 | C23 | H22 | H23 | 120.0° | 120.0° |
| H26 | C | H27 | H28 | 120.0° | 120.0° |
