44T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C16 | sing | 1.43Å | 1.42Å | |
| O1 | C15 | sing | 1.43Å | 1.42Å | |
| C16 | C15 | sing | 1.55Å | 1.54Å | |
| C16 | C13 | sing | 1.54Å | 1.54Å | |
| C15 | C14 | sing | 1.55Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C11 | S | sing | 1.81Å | 1.82Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | O | sing | 1.44Å | 1.44Å | |
| C14 | O | sing | 1.44Å | 1.40Å | |
| C14 | N2 | sing | 1.46Å | 1.46Å | |
| C7 | N1 | sing | 1.47Å | 1.46Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | N | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | S | sing | 1.81Å | 1.82Å | |
| N | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| N2 | C17 | sing | 1.37Å | 1.39Å | Aromatic |
| N2 | C20 | sing | 1.37Å | 1.37Å | Aromatic |
| C17 | C18 | doub | 1.34Å | 1.35Å | Aromatic |
| N3 | C20 | doub | 1.33Å | 1.34Å | Aromatic |
| N3 | C21 | sing | 1.32Å | 1.33Å | Aromatic |
| C20 | C19 | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C21 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| C18 | C19 | sing | 1.46Å | 1.43Å | Aromatic |
| C19 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.54Å | |
| N4 | C22 | sing | 1.33Å | 1.35Å | Aromatic |
| C22 | N5 | sing | 1.38Å | 1.34Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | 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 | |
| O1 | H9 | sing | 0.97Å | 0.95Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.08Å | 1.08Å | |
| C4 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å | |
| N5 | H21 | sing | 0.97Å | 1.00Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C17 | H23 | sing | 1.08Å | 1.08Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H28 | sing | 1.09Å | 1.10Å | |
| C10 | H29 | sing | 1.09Å | 1.10Å | |
| C10 | H30 | sing | 1.09Å | 1.10Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C16 | C15 | 112.6° | 110.5° |
| O2 | C16 | C13 | 110.0° | 110.6° |
| C16 | O2 | H15 | 109.5° | 114.0° |
| O2 | C16 | H16 | 111.4° | 110.4° |
| O1 | C15 | C16 | 112.5° | 110.5° |
| O1 | C15 | C14 | 110.4° | 110.5° |
| C15 | O1 | H9 | 109.5° | 114.0° |
| O1 | C15 | H17 | 111.8° | 110.4° |
| C15 | C16 | C13 | 103.3° | 104.1° |
| C16 | C15 | C14 | 101.3° | 104.1° |
| C15 | C16 | H16 | 109.6° | 110.5° |
| C16 | C15 | H17 | 110.0° | 110.5° |
| C16 | C13 | C12 | 114.2° | 110.4° |
| C16 | C13 | O | 106.2° | 104.8° |
| C13 | C16 | H16 | 109.6° | 110.7° |
| C16 | C13 | H24 | 108.7° | 110.4° |
| C15 | C14 | O | 105.4° | 104.8° |
| C15 | C14 | N2 | 115.1° | 110.3° |
| C14 | C15 | H17 | 110.4° | 110.6° |
| C15 | C14 | H18 | 108.7° | 110.4° |
| C11 | C10 | C9 | 113.4° | 109.5° |
| C10 | C11 | S | 114.0° | 109.5° |
| C10 | C11 | H27 | 108.3° | 109.5° |
| C10 | C11 | H28 | 108.3° | 109.5° |
| C11 | C10 | H29 | 108.5° | 109.5° |
| C11 | C10 | H30 | 108.5° | 109.4° |
| C10 | C9 | C8 | 111.9° | 109.4° |
| C10 | C9 | H7 | 108.9° | 109.5° |
| C10 | C9 | H8 | 108.9° | 109.4° |
| C9 | C10 | H29 | 108.5° | 109.5° |
| C9 | C10 | H30 | 108.5° | 109.5° |
| C11 | S | C12 | 103.2° | 103.0° |
| S | C11 | H27 | 108.3° | 109.5° |
| S | C11 | H28 | 108.3° | 109.5° |
| C9 | C8 | N1 | 112.5° | 109.5° |
| C9 | C8 | H5 | 108.7° | 109.5° |
| C9 | C8 | H6 | 108.7° | 109.5° |
| C8 | C9 | H7 | 108.9° | 109.5° |
| C8 | C9 | H8 | 108.9° | 109.5° |
| C8 | N1 | C7 | 112.1° | 111.0° |
| C8 | N1 | H1 | 108.8° | 111.0° |
| N1 | C8 | H5 | 108.7° | 109.5° |
| N1 | C8 | H6 | 108.7° | 109.5° |
| C12 | C13 | O | 108.6° | 110.4° |
| C13 | C12 | S | 111.6° | 109.5° |
| C12 | C13 | H24 | 109.0° | 110.3° |
| C13 | C12 | H25 | 108.9° | 109.5° |
| C13 | C12 | H26 | 108.9° | 109.4° |
| C13 | O | C14 | 109.1° | 105.3° |
| O | C13 | H24 | 110.1° | 110.4° |
| O | C14 | N2 | 108.0° | 110.4° |
| O | C14 | H18 | 110.2° | 110.3° |
| C14 | N2 | C17 | 125.6° | 125.0° |
| C14 | N2 | C20 | 125.7° | 125.0° |
| N2 | C14 | H18 | 109.4° | 110.4° |
| N1 | C7 | C6 | 113.4° | 109.4° |
| C7 | N1 | H1 | 108.8° | 111.0° |
| N1 | C7 | H3 | 108.5° | 109.5° |
| N1 | C7 | H4 | 108.5° | 109.5° |
| C7 | C6 | C5 | 120.9° | 120.4° |
| C7 | C6 | C2 | 121.3° | 120.5° |
| C6 | C7 | H3 | 108.5° | 109.5° |
| C6 | C7 | H4 | 108.5° | 109.5° |
| N | C5 | C6 | 124.4° | 120.7° |
| C5 | N | C4 | 116.8° | 121.7° |
| N | C5 | H12 | 117.8° | 119.6° |
| C5 | C6 | C2 | 117.8° | 119.1° |
| C6 | C5 | H12 | 117.8° | 119.6° |
| S | C12 | H25 | 108.9° | 109.5° |
| S | C12 | H26 | 108.9° | 109.5° |
| N | C4 | C3 | 123.4° | 120.8° |
| N | C4 | H13 | 118.3° | 119.6° |
| C6 | C2 | C3 | 118.5° | 118.5° |
| C6 | C2 | C1 | 122.1° | 120.7° |
| C17 | N2 | C20 | 107.9° | 110.0° |
| N2 | C17 | C18 | 110.3° | 109.8° |
| N2 | C17 | H23 | 124.9° | 125.1° |
| N2 | C20 | N3 | 126.1° | 134.3° |
| N2 | C20 | C19 | 108.0° | 107.2° |
| C17 | C18 | C19 | 106.8° | 106.8° |
| C17 | C18 | H22 | 126.6° | 126.6° |
| C18 | C17 | H23 | 124.9° | 125.1° |
| C20 | N3 | C21 | 112.3° | 120.7° |
| N3 | C20 | C19 | 125.9° | 118.5° |
| N3 | C21 | N4 | 128.6° | 122.7° |
| N3 | C21 | H19 | 115.7° | 118.7° |
| C20 | C19 | C18 | 107.0° | 106.2° |
| C20 | C19 | C22 | 115.7° | 118.7° |
| C4 | C3 | C2 | 119.1° | 119.2° |
| C3 | C4 | H13 | 118.3° | 119.7° |
| C4 | C3 | H14 | 120.5° | 120.4° |
| C3 | C2 | C1 | 119.4° | 120.8° |
| C2 | C3 | H14 | 120.4° | 120.4° |
| C2 | C1 | C | 114.5° | 109.5° |
| C2 | C1 | H10 | 108.2° | 109.4° |
| C2 | C1 | H11 | 108.2° | 109.5° |
| C21 | N4 | C22 | 118.3° | 121.0° |
| N4 | C21 | H19 | 115.7° | 118.6° |
| C18 | C19 | C22 | 137.3° | 135.1° |
| C19 | C18 | H22 | 126.6° | 126.6° |
| C19 | C22 | N4 | 119.1° | 118.3° |
| C19 | C22 | N5 | 122.6° | 120.9° |
| C | C1 | H10 | 108.2° | 109.5° |
| C | C1 | H11 | 108.2° | 109.5° |
| C1 | C | H31 | 109.5° | 109.5° |
| C1 | C | H32 | 109.5° | 109.5° |
| C1 | C | H33 | 109.4° | 109.5° |
| N4 | C22 | N5 | 117.9° | 120.8° |
| C22 | N5 | H20 | 109.5° | 120.0° |
| C22 | N5 | H21 | 109.4° | 120.0° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H20 | N5 | H21 | 109.5° | 120.0° |
| H25 | C12 | H26 | 109.5° | 109.5° |
| H27 | C11 | H28 | 109.5° | 109.4° |
| H29 | C10 | H30 | 109.4° | 109.5° |
| H31 | C | H32 | 109.5° | 109.4° |
| H31 | C | H33 | 109.5° | 109.5° |
| H32 | C | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C16 | C15 | O1 | 28.2° | 0.0° |
| O2 | C16 | C15 | C13 | 118.7° | 118.7° |
| O2 | C16 | C15 | H16 | 124.6° | 122.5° |
| O2 | C16 | C13 | H16 | 122.7° | 122.7° |
| O2 | C16 | C15 | C14 | 89.8° | 118.7° |
| O2 | C16 | C13 | C12 | 130.5° | 98.5° |
| O2 | C16 | C13 | O | 109.8° | 142.6° |
| O2 | C16 | C15 | H17 | 153.5° | 122.6° |
| O2 | C16 | C13 | H24 | 8.6° | 23.7° |
| O1 | C15 | C16 | C14 | 117.9° | 118.7° |
| O1 | C15 | C16 | H17 | 125.3° | 122.6° |
| O1 | C15 | C16 | C13 | 146.9° | 118.7° |
| O1 | C15 | C14 | H17 | 124.1° | 122.6° |
| O1 | C15 | C14 | O | 158.0° | 142.6° |
| O1 | C15 | C14 | N2 | 83.1° | 98.5° |
| O1 | C15 | C16 | H16 | 96.4° | 122.5° |
| O1 | C15 | C14 | H18 | 39.9° | 23.8° |
| C15 | C16 | C13 | H16 | 116.8° | 118.7° |
| C16 | C15 | C14 | H17 | 116.5° | 118.7° |
| C15 | C16 | C13 | C12 | 109.0° | 142.8° |
| C15 | C16 | C13 | O | 10.7° | 23.9° |
| C16 | C15 | C14 | O | 38.6° | 24.0° |
| C16 | C15 | C14 | N2 | 157.5° | 142.8° |
| C16 | C15 | O1 | H9 | 180.0° | 61.5° |
| C15 | C16 | O2 | H15 | 180.0° | 61.4° |
| C16 | C15 | C14 | H18 | 79.5° | 94.8° |
| C15 | C16 | C13 | H24 | 129.1° | 95.0° |
| C13 | C16 | C15 | C14 | 28.9° | 0.0° |
| C16 | C13 | C12 | O | 118.3° | 115.5° |
| C16 | C13 | C12 | H24 | 121.7° | 122.3° |
| C16 | C13 | O | H24 | 117.5° | 118.9° |
| C16 | C13 | O | C14 | 13.9° | 40.5° |
| C16 | C13 | C12 | S | 61.5° | 175.0° |
| C13 | C16 | O2 | H15 | 65.3° | 176.1° |
| C13 | C16 | C15 | H17 | 87.8° | 118.7° |
| C16 | C13 | C12 | H25 | 178.2° | 54.9° |
| C16 | C13 | C12 | H26 | 58.8° | 65.0° |
| C15 | C14 | O | C13 | 33.6° | 40.5° |
| C15 | C14 | O | N2 | 123.5° | 118.8° |
| C15 | C14 | O | H18 | 117.1° | 118.8° |
| C15 | C14 | N2 | H18 | 122.6° | 122.3° |
| C15 | C14 | N2 | C17 | 49.5° | 95.1° |
| C15 | C14 | N2 | C20 | 141.8° | 85.3° |
| C14 | C15 | O1 | H9 | 67.6° | 176.1° |
| C14 | C15 | C16 | H16 | 145.7° | 118.8° |
| C11 | C10 | C9 | H29 | 120.6° | 120.0° |
| C11 | C10 | C9 | H30 | 120.6° | 120.0° |
| C10 | C11 | S | H27 | 120.7° | 120.1° |
| C10 | C11 | S | H28 | 120.7° | 120.0° |
| C11 | C10 | C9 | C8 | 177.3° | 180.0° |
| C10 | C11 | S | C12 | 54.1° | 180.0° |
| C11 | C10 | C9 | H7 | 56.9° | 60.0° |
| C11 | C10 | C9 | H8 | 62.3° | 60.0° |
| C10 | C11 | H27 | H28 | 117.9° | 120.0° |
| C11 | C10 | H29 | H30 | 118.2° | 119.9° |
| C9 | C10 | C11 | S | 104.3° | 180.0° |
| C10 | C9 | C8 | H7 | 120.4° | 120.0° |
| C10 | C9 | C8 | H8 | 120.4° | 119.9° |
| C10 | C9 | C8 | N1 | 143.3° | 180.0° |
| C10 | C9 | C8 | H5 | 22.9° | 60.0° |
| C10 | C9 | C8 | H6 | 96.2° | 60.0° |
| C10 | C9 | H7 | H8 | 118.9° | 120.0° |
| C9 | C10 | C11 | H27 | 16.3° | 60.0° |
| C9 | C10 | C11 | H28 | 135.0° | 60.0° |
| C9 | C10 | H29 | H30 | 118.2° | 120.0° |
| C11 | S | C12 | C13 | 109.3° | 180.0° |
| C11 | S | C12 | H25 | 130.4° | 59.9° |
| C11 | S | C12 | H26 | 11.0° | 60.0° |
| S | C11 | H27 | H28 | 117.9° | 120.0° |
| S | C11 | C10 | H29 | 16.3° | 60.0° |
| S | C11 | C10 | H30 | 135.1° | 60.0° |
| C9 | C8 | N1 | H5 | 120.4° | 120.0° |
| C9 | C8 | N1 | H6 | 120.4° | 120.0° |
| C9 | C8 | N1 | C7 | 172.6° | 180.0° |
| C9 | C8 | N1 | H1 | 52.2° | 56.0° |
| C9 | C8 | H5 | H6 | 118.6° | 120.0° |
| C8 | C9 | H7 | H8 | 118.9° | 120.0° |
| C8 | C9 | C10 | H29 | 62.1° | 60.0° |
| C8 | C9 | C10 | H30 | 56.7° | 60.1° |
| C8 | N1 | C7 | H1 | 120.4° | 124.0° |
| C8 | N1 | C7 | C6 | 152.9° | 180.0° |
| C8 | N1 | C7 | H3 | 86.5° | 60.0° |
| C8 | N1 | C7 | H4 | 32.3° | 60.1° |
| N1 | C8 | H5 | H6 | 118.7° | 120.0° |
| N1 | C8 | C9 | H7 | 96.3° | 60.0° |
| N1 | C8 | C9 | H8 | 23.0° | 60.0° |
| C12 | C13 | O | H24 | 119.3° | 122.2° |
| C12 | C13 | O | C14 | 137.2° | 159.4° |
| C13 | C12 | S | H25 | 120.3° | 120.1° |
| C13 | C12 | S | H26 | 120.3° | 120.0° |
| C12 | C13 | C16 | H16 | 7.8° | 24.1° |
| C13 | C12 | H25 | H26 | 119.0° | 119.9° |
| C13 | O | C14 | N2 | 157.1° | 159.3° |
| O | C13 | C12 | S | 56.8° | 69.5° |
| O | C13 | C16 | H16 | 127.5° | 94.7° |
| C13 | O | C14 | H18 | 83.5° | 78.3° |
| O | C13 | C12 | H25 | 63.5° | 170.4° |
| O | C13 | C12 | H26 | 177.1° | 50.4° |
| O | C14 | N2 | H18 | 120.0° | 122.3° |
| O | C14 | N2 | C17 | 67.9° | 20.3° |
| O | C14 | N2 | C20 | 100.8° | 159.3° |
| O | C14 | C15 | H17 | 77.9° | 94.8° |
| C14 | O | C13 | H24 | 103.5° | 78.4° |
| C14 | N2 | C17 | C20 | 170.3° | 179.7° |
| C14 | N2 | C17 | C18 | 168.4° | 179.7° |
| C14 | N2 | C20 | N3 | 12.2° | 0.4° |
| C14 | N2 | C20 | C19 | 168.0° | 179.7° |
| N2 | C14 | C15 | H17 | 41.0° | 24.1° |
| C14 | N2 | C17 | H23 | 11.6° | 0.3° |
| N1 | C7 | C6 | H3 | 120.6° | 120.0° |
| N1 | C7 | C6 | H4 | 120.6° | 120.0° |
| N1 | C7 | C6 | C5 | 110.6° | 100.0° |
| N1 | C7 | C6 | C2 | 70.4° | 80.0° |
| N1 | C7 | H3 | H4 | 118.2° | 120.0° |
| C7 | N1 | C8 | H5 | 67.0° | 60.0° |
| C7 | N1 | C8 | H6 | 52.1° | 60.0° |
| C7 | C6 | C5 | N | 177.2° | 180.0° |
| C7 | C6 | C5 | C2 | 179.1° | 180.0° |
| C7 | C6 | C2 | C3 | 178.4° | 180.0° |
| C7 | C6 | C2 | C1 | 1.5° | 0.0° |
| C6 | C7 | N1 | H1 | 32.5° | 56.0° |
| C6 | C7 | H3 | H4 | 118.2° | 120.0° |
| C7 | C6 | C5 | H12 | 2.7° | 0.3° |
| N | C5 | C6 | H12 | 180.0° | 179.7° |
| N | C5 | C6 | C2 | 1.9° | 0.0° |
| C5 | N | C4 | C3 | 0.7° | 0.0° |
| C5 | N | C4 | H13 | 179.3° | 180.0° |
| C6 | C5 | N | C4 | 1.2° | 0.0° |
| C5 | C6 | C2 | C3 | 0.7° | 0.0° |
| C5 | C6 | C2 | C1 | 179.4° | 180.0° |
| C5 | C6 | C7 | H3 | 128.8° | 140.0° |
| C5 | C6 | C7 | H4 | 10.0° | 20.0° |
| S | C12 | C13 | H24 | 176.7° | 52.7° |
| S | C12 | H25 | H26 | 119.0° | 120.0° |
| C12 | S | C11 | H27 | 174.8° | 59.9° |
| C12 | S | C11 | H28 | 66.6° | 60.0° |
| N | C4 | C3 | H13 | 180.0° | 179.9° |
| N | C4 | C3 | C2 | 1.8° | 0.0° |
| C4 | N | C5 | H12 | 178.9° | 179.7° |
| N | C4 | C3 | H14 | 178.2° | 180.0° |
| C6 | C2 | C3 | C4 | 1.0° | 0.0° |
| C6 | C2 | C3 | C1 | 179.9° | 180.0° |
| C6 | C2 | C1 | C | 125.3° | 85.0° |
| C2 | C6 | C7 | H3 | 50.2° | 40.0° |
| C2 | C6 | C7 | H4 | 169.0° | 160.0° |
| C6 | C2 | C1 | H10 | 114.0° | 155.0° |
| C6 | C2 | C1 | H11 | 4.5° | 35.0° |
| C2 | C6 | C5 | H12 | 178.2° | 179.7° |
| C6 | C2 | C3 | H14 | 179.0° | 180.0° |
| N2 | C17 | C18 | H23 | 180.0° | 180.0° |
| C17 | N2 | C20 | N3 | 177.5° | 180.0° |
| C17 | N2 | C20 | C19 | 2.3° | 0.0° |
| N2 | C17 | C18 | C19 | 0.8° | 0.0° |
| C17 | N2 | C14 | H18 | 172.1° | 142.6° |
| N2 | C17 | C18 | H22 | 179.2° | 180.0° |
| C20 | N2 | C17 | C18 | 1.9° | 0.0° |
| N2 | C20 | N3 | C19 | 179.7° | 179.9° |
| N2 | C20 | N3 | C21 | 178.5° | 180.0° |
| N2 | C20 | C19 | C18 | 1.8° | 0.0° |
| N2 | C20 | C19 | C22 | 178.7° | 180.0° |
| C20 | N2 | C14 | H18 | 19.2° | 37.0° |
| C20 | N2 | C17 | H23 | 178.1° | 180.0° |
| C17 | C18 | C19 | C20 | 0.6° | 0.0° |
| C17 | C18 | C19 | H22 | 180.0° | 180.0° |
| C17 | C18 | C19 | C22 | 180.0° | 180.0° |
| C20 | N3 | C21 | N4 | 1.8° | 0.0° |
| N3 | C20 | C19 | C18 | 178.0° | 180.0° |
| N3 | C20 | C19 | C22 | 1.6° | 0.1° |
| C20 | N3 | C21 | H19 | 178.2° | 180.0° |
| C21 | N3 | C20 | C19 | 1.2° | 0.0° |
| N3 | C21 | N4 | H19 | 180.0° | 180.0° |
| N3 | C21 | N4 | C22 | 0.7° | 0.1° |
| C20 | C19 | C18 | C22 | 179.4° | 179.9° |
| C20 | C19 | C22 | N4 | 4.0° | 0.1° |
| C20 | C19 | C22 | N5 | 168.8° | 180.0° |
| C20 | C19 | C18 | H22 | 179.4° | 180.0° |
| C4 | C3 | C2 | H14 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 178.9° | 180.0° |
| C3 | C2 | C1 | C | 54.6° | 95.0° |
| C3 | C2 | C1 | H10 | 66.1° | 25.0° |
| C3 | C2 | C1 | H11 | 175.4° | 145.0° |
| C2 | C3 | C4 | H13 | 178.2° | 179.9° |
| C2 | C1 | C | H10 | 120.7° | 120.0° |
| C2 | C1 | C | H11 | 120.8° | 120.0° |
| C2 | C1 | H10 | H11 | 117.7° | 120.0° |
| C1 | C2 | C3 | H14 | 1.1° | 0.0° |
| C2 | C1 | C | H31 | 180.0° | 60.0° |
| C2 | C1 | C | H32 | 60.0° | 60.0° |
| C2 | C1 | C | H33 | 60.0° | 180.0° |
| C21 | N4 | C22 | C19 | 3.7° | 0.1° |
| C21 | N4 | C22 | N5 | 169.5° | 180.0° |
| C18 | C19 | C22 | N4 | 175.3° | 180.0° |
| C18 | C19 | C22 | N5 | 11.9° | 0.0° |
| C19 | C18 | C17 | H23 | 179.2° | 180.0° |
| C19 | C22 | N4 | N5 | 173.1° | 179.9° |
| C19 | C22 | N5 | H20 | 172.9° | 180.0° |
| C19 | C22 | N5 | H21 | 52.9° | 0.1° |
| C22 | C19 | C18 | H22 | 0.0° | 0.1° |
| C | C1 | H10 | H11 | 117.7° | 120.0° |
| C1 | C | H31 | H32 | 120.0° | 120.0° |
| C1 | C | H31 | H33 | 120.0° | 120.1° |
| C1 | C | H32 | H33 | 120.0° | 120.0° |
| C22 | N4 | C21 | H19 | 179.4° | 180.0° |
| N4 | C22 | N5 | H20 | 0.0° | 0.1° |
| N4 | C22 | N5 | H21 | 120.0° | 180.0° |
| C22 | N5 | H20 | H21 | 120.0° | 179.9° |
| H1 | N1 | C7 | H3 | 153.1° | 176.0° |
| H1 | N1 | C7 | H4 | 88.1° | 63.9° |
| H1 | N1 | C8 | H5 | 172.6° | 64.0° |
| H1 | N1 | C8 | H6 | 68.3° | 176.0° |
| H5 | C8 | C9 | H7 | 143.2° | 180.0° |
| H5 | C8 | C9 | H8 | 97.5° | 60.0° |
| H6 | C8 | C9 | H7 | 24.2° | 60.0° |
| H6 | C8 | C9 | H8 | 143.4° | 180.0° |
| H7 | C9 | C10 | H29 | 177.5° | 180.0° |
| H7 | C9 | C10 | H30 | 63.7° | 59.9° |
| H8 | C9 | C10 | H29 | 58.2° | 60.0° |
| H8 | C9 | C10 | H30 | 177.0° | 180.0° |
| H9 | O1 | C15 | H17 | 55.7° | 61.2° |
| H10 | C1 | C | H31 | 59.3° | 179.9° |
| H10 | C1 | C | H32 | 179.3° | 60.0° |
| H10 | C1 | C | H33 | 60.7° | 60.0° |
| H11 | C1 | C | H31 | 59.3° | 60.0° |
| H11 | C1 | C | H32 | 60.7° | 180.0° |
| H11 | C1 | C | H33 | 179.3° | 60.0° |
| H13 | C4 | C3 | H14 | 1.8° | 0.0° |
| H15 | O2 | C16 | H16 | 56.4° | 61.1° |
| H16 | C16 | C15 | H17 | 28.9° | 0.1° |
| H16 | C16 | C13 | H24 | 114.2° | 146.4° |
| H17 | C15 | C14 | H18 | 164.0° | 146.5° |
| H22 | C18 | C17 | H23 | 0.8° | 0.0° |
| H24 | C13 | C12 | H25 | 56.4° | 67.3° |
| H24 | C13 | C12 | H26 | 62.9° | 172.7° |
| H27 | C11 | C10 | H29 | 137.0° | 60.0° |
| H27 | C11 | C10 | H30 | 104.3° | 180.0° |
| H28 | C11 | C10 | H29 | 104.4° | 180.0° |
| H28 | C11 | C10 | H30 | 14.4° | 60.0° |
| H31 | C | H32 | H33 | 120.0° | 120.0° |
