CJQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C | doub | 1.31Å | 1.34Å | Aromatic |
| N1 | C5 | sing | 1.34Å | 1.33Å | Aromatic |
| C | N | sing | 1.32Å | 1.34Å | Aromatic |
| S | C5 | sing | 1.75Å | 1.74Å | Aromatic |
| S | C4 | sing | 1.76Å | 1.74Å | Aromatic |
| C5 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| N | C1 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | C1 | sing | 1.42Å | 1.42Å | Aromatic |
| C2 | C3 | sing | 1.47Å | 1.43Å | Aromatic |
| C1 | O1 | sing | 1.35Å | 1.35Å | |
| C4 | C3 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | C6 | sing | 1.53Å | 1.48Å | |
| C3 | C8 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.54Å | 1.52Å | |
| O1 | C11 | sing | 1.43Å | 1.46Å | |
| C11 | C16 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.54Å | 1.57Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | N3 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C18 | O2 | sing | 1.43Å | 1.44Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C20 | sing | 1.47Å | 1.46Å | |
| O2 | C19 | sing | 1.43Å | 1.44Å | |
| C10 | N2 | sing | 1.35Å | 1.32Å | |
| C10 | O | doub | 1.21Å | 1.23Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| N2 | H20 | sing | 0.97Å | 1.00Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.08Å | 1.08Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N1 | C5 | 113.5° | 120.8° |
| N1 | C | N | 128.5° | 122.3° |
| N1 | C | H24 | 115.8° | 118.9° |
| N1 | C5 | S | 122.5° | 131.3° |
| N1 | C5 | C2 | 125.5° | 119.1° |
| C | N | C1 | 115.6° | 121.2° |
| N | C | H24 | 115.8° | 118.8° |
| C5 | S | C4 | 89.6° | 92.5° |
| S | C5 | C2 | 112.0° | 109.6° |
| S | C4 | C3 | 114.7° | 111.4° |
| S | C4 | C6 | 129.8° | 138.1° |
| C5 | C2 | C1 | 114.0° | 117.8° |
| C5 | C2 | C3 | 112.7° | 112.7° |
| N | C1 | C2 | 122.8° | 118.8° |
| N | C1 | O1 | 121.1° | 120.6° |
| C1 | C2 | C3 | 133.2° | 129.4° |
| C2 | C1 | O1 | 115.4° | 120.6° |
| C2 | C3 | C4 | 111.0° | 113.9° |
| C2 | C3 | C8 | 139.3° | 135.9° |
| C1 | O1 | C11 | 119.6° | 117.0° |
| C3 | C4 | C6 | 114.8° | 110.5° |
| C4 | C3 | C8 | 109.5° | 110.2° |
| C4 | C6 | C7 | 101.4° | 104.8° |
| C4 | C6 | H22 | 111.5° | 110.3° |
| C4 | C6 | H23 | 111.4° | 110.4° |
| C3 | C8 | C7 | 101.9° | 104.9° |
| C3 | C8 | C9 | 106.8° | 110.4° |
| C3 | C8 | H3 | 110.4° | 110.4° |
| C6 | C7 | C8 | 107.4° | 101.5° |
| C6 | C7 | H1 | 110.0° | 110.9° |
| C6 | C7 | H2 | 110.0° | 111.1° |
| C7 | C6 | H22 | 111.4° | 110.4° |
| C7 | C6 | H23 | 111.5° | 110.4° |
| O1 | C11 | C16 | 110.9° | 109.5° |
| O1 | C11 | C12 | 103.5° | 109.5° |
| O1 | C11 | H6 | 111.1° | 109.4° |
| C16 | C11 | C12 | 110.7° | 109.5° |
| C11 | C16 | C15 | 111.1° | 109.5° |
| C16 | C11 | H6 | 110.2° | 109.5° |
| C11 | C16 | H14 | 109.1° | 109.5° |
| C11 | C16 | H15 | 109.1° | 109.4° |
| C11 | C12 | C13 | 110.0° | 109.4° |
| C12 | C11 | H6 | 110.3° | 109.5° |
| C11 | C12 | H7 | 109.3° | 109.5° |
| C11 | C12 | H8 | 109.3° | 109.4° |
| C16 | C15 | C14 | 112.4° | 109.5° |
| C16 | C15 | H12 | 108.7° | 109.5° |
| C16 | C15 | H13 | 108.7° | 109.5° |
| C15 | C16 | H14 | 109.1° | 109.5° |
| C15 | C16 | H15 | 109.1° | 109.5° |
| C15 | C14 | C13 | 113.1° | 109.5° |
| C15 | C14 | N3 | 115.8° | 109.5° |
| C15 | C14 | H11 | 105.2° | 109.4° |
| C14 | C15 | H12 | 108.7° | 109.4° |
| C14 | C15 | H13 | 108.7° | 109.4° |
| C7 | C8 | C9 | 117.4° | 110.3° |
| C8 | C7 | H1 | 110.0° | 111.0° |
| C8 | C7 | H2 | 110.0° | 111.1° |
| C7 | C8 | H3 | 109.7° | 110.3° |
| C8 | C9 | C10 | 113.2° | 109.5° |
| C9 | C8 | H3 | 110.2° | 110.4° |
| C8 | C9 | H4 | 108.5° | 109.5° |
| C8 | C9 | H5 | 108.5° | 109.5° |
| C18 | C17 | N3 | 109.2° | 109.2° |
| C17 | C18 | O2 | 112.4° | 109.3° |
| C17 | C18 | H26 | 108.8° | 109.5° |
| C17 | C18 | H27 | 108.7° | 109.6° |
| C18 | C17 | H28 | 109.5° | 109.5° |
| C18 | C17 | H29 | 109.5° | 109.5° |
| C17 | N3 | C14 | 114.9° | 111.0° |
| C17 | N3 | C20 | 112.8° | 110.8° |
| N3 | C17 | H28 | 109.5° | 109.5° |
| N3 | C17 | H29 | 109.6° | 109.5° |
| C12 | C13 | C14 | 112.6° | 109.5° |
| C13 | C12 | H7 | 109.3° | 109.5° |
| C13 | C12 | H8 | 109.3° | 109.5° |
| C12 | C13 | H9 | 108.7° | 109.4° |
| C12 | C13 | H10 | 108.7° | 109.5° |
| C9 | C10 | N2 | 116.1° | 120.0° |
| C9 | C10 | O | 120.6° | 120.0° |
| C10 | C9 | H4 | 108.5° | 109.4° |
| C10 | C9 | H5 | 108.5° | 109.4° |
| C18 | O2 | C19 | 111.4° | 113.7° |
| O2 | C18 | H26 | 108.7° | 109.5° |
| O2 | C18 | H27 | 108.7° | 109.5° |
| C13 | C14 | N3 | 110.5° | 109.5° |
| C14 | C13 | H9 | 108.7° | 109.5° |
| C14 | C13 | H10 | 108.7° | 109.5° |
| C13 | C14 | H11 | 105.3° | 109.4° |
| C14 | N3 | C20 | 119.5° | 111.0° |
| N3 | C14 | H11 | 105.9° | 109.5° |
| N3 | C20 | C19 | 108.9° | 109.2° |
| N3 | C20 | H18 | 109.6° | 109.5° |
| N3 | C20 | H19 | 109.6° | 109.5° |
| O2 | C19 | C20 | 111.8° | 109.3° |
| O2 | C19 | H16 | 108.9° | 109.5° |
| O2 | C19 | H17 | 108.9° | 109.4° |
| N2 | C10 | O | 123.3° | 120.0° |
| C10 | N2 | H20 | 120.0° | 120.0° |
| C10 | N2 | H21 | 120.0° | 120.0° |
| C20 | C19 | H16 | 108.9° | 109.5° |
| C20 | C19 | H17 | 108.9° | 109.5° |
| C19 | C20 | H18 | 109.6° | 109.5° |
| C19 | C20 | H19 | 109.6° | 109.5° |
| H1 | C7 | H2 | 109.5° | 110.9° |
| H4 | C9 | H5 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.4° |
| H9 | C13 | H10 | 109.5° | 109.4° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.4° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.4° | 109.6° |
| H20 | N2 | H21 | 120.0° | 120.0° |
| H22 | C6 | H23 | 109.4° | 110.3° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H28 | C17 | H29 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C | N | H24 | 180.0° | 179.7° |
| C | N1 | C5 | S | 176.4° | 179.9° |
| C | N1 | C5 | C2 | 1.5° | 0.1° |
| N1 | C | N | C1 | 0.3° | 0.6° |
| C5 | N1 | C | N | 0.7° | 0.2° |
| N1 | C5 | S | C2 | 178.1° | 180.0° |
| N1 | C5 | S | C4 | 179.9° | 179.9° |
| N1 | C5 | C2 | C1 | 3.7° | 0.0° |
| N1 | C5 | C2 | C3 | 179.7° | 179.9° |
| C5 | N1 | C | H24 | 179.3° | 180.0° |
| C | N | C1 | C2 | 2.3° | 0.6° |
| C | N | C1 | O1 | 167.4° | 179.7° |
| S | C5 | C2 | C1 | 174.4° | 179.9° |
| S | C5 | C2 | C3 | 2.2° | 0.2° |
| C5 | S | C4 | C3 | 0.9° | 0.1° |
| C5 | S | C4 | C6 | 171.2° | 179.9° |
| C4 | S | C5 | C2 | 1.7° | 0.1° |
| S | C4 | C3 | C2 | 0.2° | 0.0° |
| S | C4 | C3 | C6 | 171.8° | 180.0° |
| S | C4 | C3 | C8 | 176.2° | 180.0° |
| S | C4 | C6 | C7 | 172.9° | 162.5° |
| S | C4 | C6 | H22 | 68.5° | 43.6° |
| S | C4 | C6 | H23 | 54.2° | 78.7° |
| C5 | C2 | C1 | N | 4.1° | 0.3° |
| C5 | C2 | C1 | C3 | 175.7° | 179.9° |
| C5 | C2 | C1 | O1 | 166.2° | 180.0° |
| C5 | C2 | C3 | C4 | 1.5° | 0.1° |
| C5 | C2 | C3 | C8 | 175.8° | 179.9° |
| N | C1 | C2 | O1 | 170.2° | 179.7° |
| N | C1 | C2 | C3 | 179.7° | 179.8° |
| N | C1 | O1 | C11 | 10.4° | 0.3° |
| C1 | N | C | H24 | 179.7° | 179.7° |
| C1 | C2 | C3 | C4 | 174.2° | 180.0° |
| C1 | C2 | C3 | C8 | 0.1° | 0.0° |
| C2 | C1 | O1 | C11 | 179.2° | 180.0° |
| C3 | C2 | C1 | O1 | 9.5° | 0.1° |
| C2 | C3 | C4 | C8 | 176.1° | 180.0° |
| C2 | C3 | C4 | C6 | 171.6° | 180.0° |
| C2 | C3 | C8 | C7 | 175.9° | 162.5° |
| C2 | C3 | C8 | C9 | 60.4° | 78.7° |
| C2 | C3 | C8 | H3 | 59.4° | 43.7° |
| C1 | O1 | C11 | C16 | 88.0° | 150.0° |
| C1 | O1 | C11 | C12 | 153.2° | 90.0° |
| C1 | O1 | C11 | H6 | 34.9° | 30.0° |
| C3 | C4 | C6 | C7 | 16.9° | 17.5° |
| C4 | C3 | C8 | C7 | 9.8° | 17.5° |
| C4 | C3 | C8 | C9 | 114.0° | 101.3° |
| C4 | C3 | C8 | H3 | 126.3° | 136.4° |
| C3 | C4 | C6 | H22 | 101.8° | 136.4° |
| C3 | C4 | C6 | H23 | 135.6° | 101.3° |
| C6 | C4 | C3 | C8 | 4.4° | 0.0° |
| C4 | C6 | C7 | H22 | 118.7° | 118.8° |
| C4 | C6 | C7 | H23 | 118.7° | 118.9° |
| C4 | C6 | C7 | C8 | 21.9° | 26.5° |
| C4 | C6 | C7 | H1 | 141.6° | 91.5° |
| C4 | C6 | C7 | H2 | 97.8° | 144.7° |
| C4 | C6 | H22 | H23 | 123.8° | 122.3° |
| C3 | C8 | C7 | C6 | 19.9° | 26.5° |
| C3 | C8 | C7 | C9 | 116.3° | 118.9° |
| C3 | C8 | C7 | H3 | 117.0° | 118.9° |
| C3 | C8 | C9 | H3 | 119.9° | 122.3° |
| C3 | C8 | C9 | C10 | 175.4° | 175.0° |
| C3 | C8 | C7 | H1 | 139.6° | 91.4° |
| C3 | C8 | C7 | H2 | 99.7° | 144.7° |
| C3 | C8 | C9 | H4 | 64.0° | 55.0° |
| C3 | C8 | C9 | H5 | 54.9° | 65.0° |
| C6 | C7 | C8 | H1 | 119.7° | 118.0° |
| C6 | C7 | C8 | H2 | 119.7° | 118.2° |
| C6 | C7 | C8 | C9 | 96.3° | 92.3° |
| C6 | C7 | H1 | H2 | 121.0° | 123.9° |
| C6 | C7 | C8 | H3 | 136.9° | 145.4° |
| C7 | C6 | H22 | H23 | 123.8° | 122.3° |
| O1 | C11 | C16 | C12 | 114.3° | 120.0° |
| O1 | C11 | C16 | H6 | 123.4° | 119.9° |
| O1 | C11 | C12 | H6 | 118.9° | 120.0° |
| O1 | C11 | C16 | C15 | 173.2° | 180.0° |
| O1 | C11 | C12 | C13 | 180.0° | 180.0° |
| O1 | C11 | C12 | H7 | 59.9° | 60.0° |
| O1 | C11 | C12 | H8 | 59.9° | 60.0° |
| O1 | C11 | C16 | H14 | 66.6° | 60.0° |
| O1 | C11 | C16 | H15 | 52.9° | 60.0° |
| C16 | C11 | C12 | H6 | 122.3° | 120.0° |
| C11 | C16 | C15 | H14 | 120.2° | 120.0° |
| C11 | C16 | C15 | H15 | 120.3° | 120.0° |
| C11 | C16 | C15 | C14 | 51.1° | 60.0° |
| C16 | C11 | C12 | C13 | 61.1° | 60.0° |
| C16 | C11 | C12 | H7 | 58.9° | 60.0° |
| C16 | C11 | C12 | H8 | 178.8° | 180.0° |
| C11 | C16 | C15 | H12 | 69.4° | 179.9° |
| C11 | C16 | C15 | H13 | 171.5° | 60.0° |
| C11 | C16 | H14 | H15 | 119.2° | 120.0° |
| C12 | C11 | C16 | C15 | 58.9° | 60.0° |
| C11 | C12 | C13 | H7 | 120.1° | 120.0° |
| C11 | C12 | C13 | H8 | 120.1° | 120.0° |
| C11 | C12 | C13 | C14 | 56.1° | 60.0° |
| C11 | C12 | H7 | H8 | 119.8° | 120.0° |
| C11 | C12 | C13 | H9 | 176.6° | 179.9° |
| C11 | C12 | C13 | H10 | 64.3° | 60.0° |
| C12 | C11 | C16 | H14 | 179.2° | 180.0° |
| C12 | C11 | C16 | H15 | 61.4° | 60.0° |
| C16 | C15 | C14 | H12 | 120.4° | 120.0° |
| C16 | C15 | C14 | H13 | 120.4° | 120.0° |
| C16 | C15 | C14 | C13 | 46.3° | 59.9° |
| C16 | C15 | C14 | N3 | 175.4° | 180.0° |
| C15 | C16 | C11 | H6 | 63.4° | 60.0° |
| C16 | C15 | C14 | H11 | 68.1° | 60.0° |
| C16 | C15 | H12 | H13 | 118.6° | 120.1° |
| C15 | C16 | H14 | H15 | 119.3° | 120.0° |
| C15 | C14 | N3 | C17 | 20.4° | 53.7° |
| C15 | C14 | C13 | C12 | 49.1° | 60.0° |
| C15 | C14 | C13 | N3 | 131.7° | 120.1° |
| C15 | C14 | C13 | H11 | 114.4° | 119.9° |
| C15 | C14 | N3 | H11 | 116.1° | 120.0° |
| C15 | C14 | N3 | C20 | 118.6° | 70.0° |
| C15 | C14 | C13 | H9 | 169.6° | 180.0° |
| C15 | C14 | C13 | H10 | 71.3° | 60.1° |
| C14 | C15 | H12 | H13 | 118.7° | 119.9° |
| C14 | C15 | C16 | H14 | 171.3° | 180.0° |
| C14 | C15 | C16 | H15 | 69.2° | 60.0° |
| C7 | C8 | C9 | H3 | 126.5° | 122.2° |
| C7 | C8 | C9 | C10 | 61.9° | 69.5° |
| C8 | C7 | H1 | H2 | 121.0° | 124.0° |
| C7 | C8 | C9 | H4 | 177.6° | 170.5° |
| C7 | C8 | C9 | H5 | 58.7° | 50.4° |
| C8 | C7 | C6 | H22 | 96.8° | 145.4° |
| C8 | C7 | C6 | H23 | 140.6° | 92.4° |
| C8 | C9 | C10 | H4 | 120.6° | 120.0° |
| C8 | C9 | C10 | H5 | 120.6° | 120.0° |
| C8 | C9 | C10 | N2 | 108.8° | 180.0° |
| C8 | C9 | C10 | O | 71.5° | 0.0° |
| C9 | C8 | C7 | H1 | 23.4° | 149.7° |
| C9 | C8 | C7 | H2 | 144.0° | 25.9° |
| C8 | C9 | H4 | H5 | 118.3° | 120.1° |
| C18 | C17 | N3 | H28 | 120.0° | 119.9° |
| C18 | C17 | N3 | H29 | 120.0° | 119.9° |
| C17 | C18 | O2 | H26 | 120.5° | 119.9° |
| C17 | C18 | O2 | H27 | 120.4° | 120.0° |
| C18 | C17 | N3 | C14 | 163.4° | 177.6° |
| C18 | C17 | N3 | C20 | 54.9° | 58.6° |
| C17 | C18 | O2 | C19 | 55.8° | 58.6° |
| C17 | C18 | H26 | H27 | 118.7° | 120.1° |
| C18 | C17 | H28 | H29 | 120.1° | 120.2° |
| N3 | C17 | C18 | O2 | 53.7° | 56.9° |
| C17 | N3 | C14 | C13 | 109.9° | 66.3° |
| C17 | N3 | C14 | C20 | 139.0° | 123.7° |
| C17 | N3 | C20 | C19 | 56.4° | 58.6° |
| C17 | N3 | C14 | H11 | 136.6° | 173.7° |
| C17 | N3 | C20 | H18 | 63.6° | 178.5° |
| C17 | N3 | C20 | H19 | 176.3° | 61.3° |
| N3 | C17 | C18 | H26 | 66.7° | 176.8° |
| N3 | C17 | C18 | H27 | 174.1° | 63.1° |
| N3 | C17 | H28 | H29 | 120.1° | 120.1° |
| C12 | C13 | C14 | H9 | 120.5° | 120.0° |
| C12 | C13 | C14 | H10 | 120.4° | 120.1° |
| C12 | C13 | C14 | N3 | 179.2° | 180.0° |
| C13 | C12 | C11 | H6 | 61.1° | 60.0° |
| C13 | C12 | H7 | H8 | 119.8° | 120.1° |
| C12 | C13 | H9 | H10 | 118.6° | 120.0° |
| C12 | C13 | C14 | H11 | 65.3° | 59.9° |
| C9 | C10 | N2 | O | 179.7° | 180.0° |
| C10 | C9 | C8 | H3 | 64.6° | 52.7° |
| C10 | C9 | H4 | H5 | 118.3° | 120.0° |
| C9 | C10 | N2 | H20 | 179.8° | 0.1° |
| C9 | C10 | N2 | H21 | 0.3° | 180.0° |
| C18 | O2 | C19 | C20 | 57.2° | 58.6° |
| C18 | O2 | C19 | H16 | 63.2° | 178.6° |
| C18 | O2 | C19 | H17 | 177.6° | 61.4° |
| O2 | C18 | H26 | H27 | 118.6° | 120.1° |
| O2 | C18 | C17 | H28 | 66.3° | 176.8° |
| O2 | C18 | C17 | H29 | 173.7° | 63.0° |
| C13 | C14 | N3 | H11 | 113.6° | 120.0° |
| C13 | C14 | N3 | C20 | 111.2° | 170.0° |
| C14 | C13 | C12 | H7 | 64.0° | 60.0° |
| C14 | C13 | C12 | H8 | 176.2° | 180.0° |
| C14 | C13 | H9 | H10 | 118.6° | 120.0° |
| C13 | C14 | C15 | H12 | 74.1° | 180.0° |
| C13 | C14 | C15 | H13 | 166.7° | 60.0° |
| C14 | N3 | C20 | C19 | 163.9° | 177.6° |
| N3 | C14 | C13 | H9 | 58.7° | 60.0° |
| N3 | C14 | C13 | H10 | 60.4° | 59.9° |
| N3 | C14 | C15 | H12 | 54.9° | 59.9° |
| N3 | C14 | C15 | H13 | 64.2° | 60.0° |
| C14 | N3 | C20 | H18 | 76.2° | 57.7° |
| C14 | N3 | C20 | H19 | 43.9° | 62.4° |
| C14 | N3 | C17 | H28 | 76.6° | 57.7° |
| C14 | N3 | C17 | H29 | 43.4° | 62.5° |
| N3 | C20 | C19 | O2 | 56.7° | 56.8° |
| N3 | C20 | C19 | H18 | 119.9° | 119.9° |
| N3 | C20 | C19 | H19 | 119.9° | 120.0° |
| C20 | N3 | C14 | H11 | 2.4° | 50.0° |
| N3 | C20 | C19 | H16 | 63.7° | 176.8° |
| N3 | C20 | C19 | H17 | 177.0° | 63.1° |
| N3 | C20 | H18 | H19 | 120.2° | 120.1° |
| C20 | N3 | C17 | H28 | 65.1° | 178.5° |
| C20 | N3 | C17 | H29 | 174.9° | 61.3° |
| O2 | C19 | C20 | H16 | 120.4° | 120.0° |
| O2 | C19 | C20 | H17 | 120.3° | 119.9° |
| O2 | C19 | H16 | H17 | 118.9° | 120.0° |
| O2 | C19 | C20 | H18 | 63.2° | 176.7° |
| O2 | C19 | C20 | H19 | 176.6° | 63.1° |
| C19 | O2 | C18 | H26 | 64.7° | 178.6° |
| C19 | O2 | C18 | H27 | 176.2° | 61.4° |
| N2 | C10 | C9 | H4 | 130.6° | 60.0° |
| N2 | C10 | C9 | H5 | 11.8° | 60.0° |
| C10 | N2 | H20 | H21 | 180.0° | 179.9° |
| O | C10 | C9 | H4 | 49.1° | 120.0° |
| O | C10 | C9 | H5 | 168.0° | 120.0° |
| O | C10 | N2 | H20 | 0.0° | 180.0° |
| O | C10 | N2 | H21 | 180.0° | 0.0° |
| C20 | C19 | H16 | H17 | 118.9° | 120.1° |
| C19 | C20 | H18 | H19 | 120.3° | 120.1° |
| H1 | C7 | C8 | H3 | 103.4° | 27.5° |
| H1 | C7 | C6 | H22 | 22.9° | 27.4° |
| H1 | C7 | C6 | H23 | 99.7° | 149.6° |
| H2 | C7 | C8 | H3 | 17.3° | 96.4° |
| H2 | C7 | C6 | H22 | 143.5° | 96.5° |
| H2 | C7 | C6 | H23 | 20.9° | 25.8° |
| H3 | C8 | C9 | H4 | 55.9° | 67.3° |
| H3 | C8 | C9 | H5 | 174.8° | 172.6° |
| H6 | C11 | C12 | H7 | 178.8° | 180.0° |
| H6 | C11 | C12 | H8 | 59.0° | 60.0° |
| H6 | C11 | C16 | H14 | 56.8° | 60.0° |
| H6 | C11 | C16 | H15 | 176.3° | 180.0° |
| H7 | C12 | C13 | H9 | 56.5° | 60.0° |
| H7 | C12 | C13 | H10 | 175.6° | 180.0° |
| H8 | C12 | C13 | H9 | 63.3° | 60.0° |
| H8 | C12 | C13 | H10 | 55.7° | 59.9° |
| H9 | C13 | C14 | H11 | 55.2° | 60.1° |
| H10 | C13 | C14 | H11 | 174.3° | 180.0° |
| H11 | C14 | C15 | H12 | 171.5° | 60.0° |
| H11 | C14 | C15 | H13 | 52.3° | 180.0° |
| H12 | C15 | C16 | H14 | 50.9° | 60.1° |
| H12 | C15 | C16 | H15 | 170.4° | 60.0° |
| H13 | C15 | C16 | H14 | 68.2° | 60.0° |
| H13 | C15 | C16 | H15 | 51.3° | 180.0° |
| H16 | C19 | C20 | H18 | 176.4° | 63.3° |
| H16 | C19 | C20 | H19 | 56.2° | 56.8° |
| H17 | C19 | C20 | H18 | 57.1° | 56.8° |
| H17 | C19 | C20 | H19 | 63.0° | 176.9° |
| H26 | C18 | C17 | H28 | 173.3° | 63.3° |
| H26 | C18 | C17 | H29 | 53.3° | 56.9° |
| H27 | C18 | C17 | H28 | 54.2° | 56.8° |
| H27 | C18 | C17 | H29 | 65.9° | 177.0° |
