SZ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C1 | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | sing | 1.43Å | 1.40Å | |
| C2 | C10 | sing | 1.53Å | 1.51Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | N2 | sing | 1.47Å | 1.42Å | |
| N2 | C11 | sing | 1.47Å | 1.49Å | |
| N2 | C15 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| C11 | C | sing | 1.51Å | 1.51Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.48Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.46Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | S1 | sing | 1.81Å | 1.78Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.27Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N3 | C17 | doub | 1.32Å | 1.35Å | Aromatic |
| N3 | C21 | sing | 1.32Å | 1.32Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | S1 | sing | 1.76Å | 1.70Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | H24 | sing | 1.08Å | 1.08Å | |
| C21 | H25 | sing | 1.08Å | 1.08Å | |
| S1 | O3 | doub | 1.42Å | 1.41Å | |
| S1 | O4 | doub | 1.42Å | 1.40Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N | H | 109.5° | 111.1° |
| C1 | N | H2 | 109.4° | 111.0° |
| N | C1 | C2 | 108.6° | 109.4° |
| N | C1 | C3 | 110.4° | 109.5° |
| N | C1 | H1 | 112.7° | 109.4° |
| H | N | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 117.4° | 109.5° |
| C2 | C1 | H1 | 104.8° | 109.5° |
| C1 | C2 | O1 | 111.6° | 109.5° |
| C1 | C2 | C10 | 118.9° | 109.5° |
| C1 | C2 | H3 | 99.7° | 109.5° |
| C3 | C1 | H1 | 102.8° | 109.5° |
| C1 | C3 | C4 | 114.6° | 109.4° |
| C1 | C3 | H5 | 107.8° | 109.5° |
| C1 | C3 | H6 | 107.8° | 109.5° |
| O1 | C2 | C10 | 105.1° | 109.5° |
| O1 | C2 | H3 | 114.9° | 109.5° |
| C2 | O1 | H4 | 109.5° | 114.0° |
| C10 | C2 | H3 | 106.9° | 109.4° |
| C2 | C10 | H12 | 111.1° | 109.5° |
| C2 | C10 | H13 | 111.0° | 109.4° |
| C2 | C10 | N2 | 104.9° | 109.5° |
| C4 | C3 | H5 | 107.8° | 109.5° |
| C4 | C3 | H6 | 107.8° | 109.4° |
| C3 | C4 | C5 | 122.4° | 120.0° |
| C3 | C4 | C6 | 121.2° | 120.0° |
| H5 | C3 | H6 | 111.1° | 109.5° |
| C5 | C4 | C6 | 116.4° | 120.0° |
| C4 | C5 | C7 | 121.6° | 120.0° |
| C4 | C5 | H7 | 119.2° | 120.0° |
| C4 | C6 | C8 | 122.8° | 120.0° |
| C4 | C6 | H8 | 118.6° | 119.9° |
| C7 | C5 | H7 | 119.2° | 120.0° |
| C5 | C7 | C9 | 120.8° | 120.0° |
| C5 | C7 | H9 | 119.6° | 120.0° |
| C8 | C6 | H8 | 118.6° | 120.0° |
| C6 | C8 | C9 | 119.6° | 120.0° |
| C6 | C8 | H10 | 120.2° | 120.1° |
| C9 | C7 | H9 | 119.6° | 120.0° |
| C7 | C9 | C8 | 118.8° | 120.0° |
| C7 | C9 | H11 | 120.6° | 120.0° |
| C9 | C8 | H10 | 120.2° | 119.9° |
| C8 | C9 | H11 | 120.6° | 120.1° |
| H12 | C10 | H13 | 107.9° | 109.5° |
| H12 | C10 | N2 | 111.0° | 109.5° |
| H13 | C10 | N2 | 111.0° | 109.5° |
| C10 | N2 | C11 | 116.0° | 111.0° |
| C10 | N2 | C15 | 111.1° | 111.0° |
| C11 | N2 | C15 | 113.9° | 111.2° |
| N2 | C11 | C12 | 108.3° | 109.5° |
| N2 | C11 | C | 117.7° | 109.5° |
| N2 | C11 | H14 | 104.7° | 109.5° |
| N2 | C15 | C14 | 107.2° | 109.5° |
| N2 | C15 | H20 | 110.2° | 109.4° |
| N2 | C15 | H21 | 110.2° | 109.5° |
| C12 | C11 | C | 110.0° | 109.4° |
| C12 | C11 | H14 | 113.2° | 109.5° |
| C11 | C12 | C13 | 116.4° | 109.3° |
| C11 | C12 | H15 | 107.3° | 109.5° |
| C11 | C12 | H16 | 107.2° | 109.5° |
| C | C11 | H14 | 102.9° | 109.5° |
| C11 | C | O | 118.5° | 120.0° |
| C11 | C | OXT | 120.7° | 120.0° |
| C13 | C12 | H15 | 107.2° | 109.5° |
| C13 | C12 | H16 | 107.3° | 109.5° |
| C12 | C13 | C14 | 108.3° | 109.2° |
| C12 | C13 | H17 | 115.7° | 109.5° |
| C12 | C13 | S1 | 104.1° | 109.5° |
| H15 | C12 | H16 | 111.6° | 109.6° |
| C14 | C13 | H17 | 104.9° | 109.5° |
| C14 | C13 | S1 | 115.0° | 109.5° |
| C13 | C14 | C15 | 102.7° | 109.3° |
| C13 | C14 | H18 | 111.8° | 109.5° |
| C13 | C14 | H19 | 111.8° | 109.5° |
| H17 | C13 | S1 | 109.1° | 109.6° |
| C13 | S1 | C19 | 119.8° | 104.4° |
| C13 | S1 | O3 | 113.1° | 110.5° |
| C13 | S1 | O4 | 107.8° | 110.5° |
| C15 | C14 | H18 | 111.8° | 109.5° |
| C15 | C14 | H19 | 111.8° | 109.5° |
| C14 | C15 | H20 | 110.3° | 109.5° |
| C14 | C15 | H21 | 110.2° | 109.5° |
| H18 | C14 | H19 | 107.1° | 109.5° |
| H20 | C15 | H21 | 108.7° | 109.4° |
| O | C | OXT | 120.8° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C17 | N3 | C21 | 121.5° | 121.7° |
| N3 | C17 | C18 | 119.6° | 120.8° |
| N3 | C17 | H22 | 120.2° | 119.7° |
| N3 | C21 | C20 | 120.9° | 120.7° |
| N3 | C21 | H25 | 119.6° | 119.6° |
| C18 | C17 | H22 | 120.2° | 119.6° |
| C17 | C18 | C19 | 119.8° | 119.2° |
| C17 | C18 | H23 | 120.1° | 120.4° |
| C19 | C18 | H23 | 120.1° | 120.4° |
| C18 | C19 | C20 | 118.6° | 118.4° |
| C18 | C19 | S1 | 120.6° | 120.8° |
| C20 | C19 | S1 | 120.8° | 120.8° |
| C19 | C20 | C21 | 119.6° | 119.2° |
| C19 | C20 | H24 | 120.2° | 120.5° |
| C19 | S1 | O3 | 99.8° | 104.3° |
| C19 | S1 | O4 | 119.9° | 104.3° |
| C21 | C20 | H24 | 120.2° | 120.3° |
| C20 | C21 | H25 | 119.6° | 119.6° |
| O3 | S1 | O4 | 92.6° | 121.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N | H | H2 | 120.0° | 124.0° |
| N | C1 | C2 | C3 | 126.0° | 120.0° |
| N | C1 | C2 | H1 | 120.7° | 119.9° |
| N | C1 | C3 | H1 | 120.4° | 120.0° |
| N | C1 | C2 | O1 | 81.6° | 180.0° |
| N | C1 | C2 | C10 | 155.7° | 60.0° |
| N | C1 | C2 | H3 | 40.2° | 60.0° |
| N | C1 | C3 | C4 | 54.4° | 65.0° |
| N | C1 | C3 | H5 | 65.6° | 55.0° |
| N | C1 | C3 | H6 | 174.4° | 175.0° |
| H | N | C1 | C2 | 180.0° | 63.9° |
| H | N | C1 | C3 | 50.0° | 176.1° |
| H | N | C1 | H1 | 64.3° | 56.0° |
| H2 | N | C1 | C2 | 60.0° | 60.0° |
| H2 | N | C1 | C3 | 170.0° | 60.0° |
| H2 | N | C1 | H1 | 55.7° | 180.0° |
| C2 | C1 | C3 | H1 | 114.4° | 120.1° |
| C1 | C2 | O1 | C10 | 130.2° | 120.0° |
| C1 | C2 | O1 | H3 | 112.6° | 120.0° |
| C1 | C2 | C10 | H3 | 111.6° | 120.0° |
| C1 | C2 | O1 | H4 | 180.0° | 60.0° |
| C2 | C1 | C3 | C4 | 179.5° | 175.0° |
| C2 | C1 | C3 | H5 | 59.5° | 65.0° |
| C2 | C1 | C3 | H6 | 60.5° | 55.1° |
| C1 | C2 | C10 | H12 | 39.8° | 53.0° |
| C1 | C2 | C10 | H13 | 159.8° | 67.0° |
| C1 | C2 | C10 | N2 | 80.2° | 173.1° |
| C3 | C1 | C2 | O1 | 44.4° | 60.0° |
| C3 | C1 | C2 | C10 | 78.3° | 179.9° |
| C3 | C1 | C2 | H3 | 166.2° | 60.0° |
| C1 | C3 | C4 | H5 | 120.0° | 120.0° |
| C1 | C3 | C4 | H6 | 120.0° | 119.9° |
| C1 | C3 | H5 | H6 | 117.9° | 120.0° |
| C1 | C3 | C4 | C5 | 85.7° | 90.1° |
| C1 | C3 | C4 | C6 | 95.2° | 90.3° |
| H1 | C1 | C2 | O1 | 157.7° | 60.0° |
| H1 | C1 | C2 | C10 | 35.0° | 60.0° |
| H1 | C1 | C2 | H3 | 80.5° | 179.9° |
| H1 | C1 | C3 | C4 | 66.1° | 54.9° |
| H1 | C1 | C3 | H5 | 174.0° | 175.0° |
| H1 | C1 | C3 | H6 | 53.9° | 65.0° |
| O1 | C2 | C10 | H3 | 122.5° | 120.0° |
| O1 | C2 | C10 | H12 | 86.1° | 173.0° |
| O1 | C2 | C10 | H13 | 33.9° | 53.0° |
| O1 | C2 | C10 | N2 | 153.9° | 66.9° |
| C10 | C2 | O1 | H4 | 49.8° | 60.0° |
| C2 | C10 | H12 | H13 | 121.9° | 119.9° |
| C2 | C10 | H12 | N2 | 116.3° | 120.0° |
| C2 | C10 | H13 | N2 | 116.2° | 120.0° |
| C2 | C10 | N2 | C11 | 149.6° | 162.4° |
| C2 | C10 | N2 | C15 | 78.3° | 73.3° |
| H3 | C2 | O1 | H4 | 67.4° | 180.0° |
| H3 | C2 | C10 | H12 | 151.4° | 67.0° |
| H3 | C2 | C10 | H13 | 88.6° | 173.0° |
| H3 | C2 | C10 | N2 | 31.4° | 53.1° |
| C4 | C3 | H5 | H6 | 117.9° | 120.0° |
| C3 | C4 | C5 | C6 | 179.1° | 179.6° |
| C3 | C4 | C5 | C7 | 179.4° | 180.0° |
| C3 | C4 | C5 | H7 | 0.6° | 0.1° |
| C3 | C4 | C6 | C8 | 178.1° | 180.0° |
| C3 | C4 | C6 | H8 | 1.9° | 0.1° |
| H5 | C3 | C4 | C5 | 154.3° | 30.0° |
| H5 | C3 | C4 | C6 | 24.8° | 149.7° |
| H6 | C3 | C4 | C5 | 34.3° | 150.0° |
| H6 | C3 | C4 | C6 | 144.8° | 29.6° |
| C4 | C5 | C7 | H7 | 180.0° | 179.9° |
| C5 | C4 | C6 | C8 | 1.0° | 0.4° |
| C5 | C4 | C6 | H8 | 179.0° | 179.7° |
| C4 | C5 | C7 | C9 | 0.0° | 0.1° |
| C4 | C5 | C7 | H9 | 180.0° | 179.9° |
| C6 | C4 | C5 | C7 | 0.3° | 0.4° |
| C6 | C4 | C5 | H7 | 179.8° | 179.7° |
| C4 | C6 | C8 | H8 | 180.0° | 179.9° |
| C4 | C6 | C8 | C9 | 2.6° | 0.2° |
| C4 | C6 | C8 | H10 | 177.5° | 180.0° |
| C5 | C7 | C9 | H9 | 180.0° | 180.0° |
| C5 | C7 | C9 | C8 | 1.5° | 0.2° |
| C5 | C7 | C9 | H11 | 178.5° | 180.0° |
| H7 | C5 | C7 | C9 | 180.0° | 180.0° |
| H7 | C5 | C7 | H9 | 0.0° | 0.0° |
| C6 | C8 | C9 | C7 | 2.7° | 0.2° |
| C6 | C8 | C9 | H10 | 180.0° | 179.9° |
| C6 | C8 | C9 | H11 | 177.3° | 179.9° |
| H8 | C6 | C8 | C9 | 177.4° | 180.0° |
| H8 | C6 | C8 | H10 | 2.5° | 0.1° |
| C7 | C9 | C8 | H11 | 180.0° | 179.8° |
| C7 | C9 | C8 | H10 | 177.3° | 179.7° |
| H9 | C7 | C9 | C8 | 178.5° | 179.8° |
| H9 | C7 | C9 | H11 | 1.5° | 0.0° |
| H10 | C8 | C9 | H11 | 2.7° | 0.1° |
| H12 | C10 | H13 | N2 | 121.9° | 120.1° |
| H12 | C10 | N2 | C11 | 29.6° | 42.4° |
| H12 | C10 | N2 | C15 | 161.7° | 166.7° |
| H13 | C10 | N2 | C11 | 90.4° | 77.6° |
| H13 | C10 | N2 | C15 | 41.6° | 46.6° |
| C10 | N2 | C11 | C15 | 130.7° | 124.1° |
| C10 | N2 | C11 | C12 | 176.8° | 174.1° |
| C10 | N2 | C11 | C | 57.8° | 54.1° |
| C10 | N2 | C11 | H14 | 55.7° | 65.9° |
| C10 | N2 | C15 | C14 | 163.8° | 174.2° |
| C10 | N2 | C15 | H20 | 76.2° | 65.8° |
| C10 | N2 | C15 | H21 | 43.8° | 54.1° |
| N2 | C11 | C12 | C | 129.9° | 120.0° |
| N2 | C11 | C12 | H14 | 115.7° | 120.0° |
| N2 | C11 | C | H14 | 114.5° | 120.0° |
| N2 | C11 | C12 | C13 | 42.8° | 59.2° |
| N2 | C11 | C12 | H15 | 77.2° | 60.8° |
| N2 | C11 | C12 | H16 | 162.8° | 179.1° |
| C11 | N2 | C15 | C14 | 63.1° | 61.7° |
| C11 | N2 | C15 | H20 | 56.9° | 58.3° |
| C11 | N2 | C15 | H21 | 176.9° | 178.2° |
| N2 | C11 | C | O | 57.1° | 28.9° |
| N2 | C11 | C | OXT | 122.9° | 151.2° |
| C15 | N2 | C11 | C12 | 46.0° | 61.8° |
| C15 | N2 | C11 | C | 171.5° | 178.3° |
| C15 | N2 | C11 | H14 | 75.1° | 58.3° |
| N2 | C15 | C14 | C13 | 71.9° | 59.1° |
| N2 | C15 | C14 | H20 | 120.0° | 119.9° |
| N2 | C15 | C14 | H21 | 120.0° | 120.1° |
| N2 | C15 | C14 | H18 | 48.1° | 60.8° |
| N2 | C15 | C14 | H19 | 168.1° | 179.1° |
| N2 | C15 | H20 | H21 | 120.9° | 119.9° |
| C12 | C11 | C | H14 | 120.9° | 120.0° |
| C11 | C12 | C13 | H15 | 120.0° | 119.9° |
| C11 | C12 | C13 | H16 | 120.0° | 119.9° |
| C11 | C12 | H15 | H16 | 117.2° | 120.1° |
| C11 | C12 | C13 | C14 | 57.2° | 57.7° |
| C11 | C12 | C13 | H17 | 60.3° | 62.2° |
| C11 | C12 | C13 | S1 | 179.9° | 177.6° |
| C12 | C11 | C | O | 67.5° | 91.1° |
| C12 | C11 | C | OXT | 112.5° | 88.8° |
| C | C11 | C12 | C13 | 172.7° | 179.2° |
| C | C11 | C12 | H15 | 52.7° | 59.2° |
| C | C11 | C12 | H16 | 67.3° | 60.9° |
| C11 | C | O | OXT | 180.0° | 180.0° |
| C11 | C | OXT | HXT | 180.0° | 179.9° |
| H14 | C11 | C12 | C13 | 72.9° | 60.8° |
| H14 | C11 | C12 | H15 | 167.1° | 179.2° |
| H14 | C11 | C12 | H16 | 47.1° | 59.1° |
| H14 | C11 | C | O | 171.6° | 148.9° |
| H14 | C11 | C | OXT | 8.4° | 31.2° |
| C13 | C12 | H15 | H16 | 117.2° | 120.1° |
| C12 | C13 | C14 | H17 | 124.1° | 119.9° |
| C12 | C13 | C14 | S1 | 116.0° | 119.9° |
| C12 | C13 | H17 | S1 | 116.9° | 120.2° |
| C12 | C13 | C14 | C15 | 67.8° | 57.7° |
| C12 | C13 | C14 | H18 | 52.2° | 62.3° |
| C12 | C13 | C14 | H19 | 172.2° | 177.6° |
| C12 | C13 | S1 | C19 | 56.2° | 175.0° |
| C12 | C13 | S1 | O3 | 61.0° | 63.4° |
| C12 | C13 | S1 | O4 | 161.9° | 73.4° |
| H15 | C12 | C13 | C14 | 62.8° | 62.2° |
| H15 | C12 | C13 | H17 | 179.7° | 177.8° |
| H15 | C12 | C13 | S1 | 60.1° | 57.7° |
| H16 | C12 | C13 | C14 | 177.2° | 177.6° |
| H16 | C12 | C13 | H17 | 59.7° | 57.7° |
| H16 | C12 | C13 | S1 | 59.9° | 62.5° |
| C14 | C13 | H17 | S1 | 123.7° | 120.2° |
| C13 | C14 | C15 | H18 | 120.0° | 119.9° |
| C13 | C14 | C15 | H19 | 120.0° | 119.9° |
| C13 | C14 | H18 | H19 | 122.8° | 120.1° |
| C13 | C14 | C15 | H20 | 48.1° | 60.8° |
| C13 | C14 | C15 | H21 | 168.1° | 179.2° |
| C14 | C13 | S1 | C19 | 174.6° | 55.3° |
| C14 | C13 | S1 | O3 | 57.4° | 56.3° |
| C14 | C13 | S1 | O4 | 43.4° | 166.9° |
| H17 | C13 | C14 | C15 | 56.3° | 62.2° |
| H17 | C13 | C14 | H18 | 176.3° | 177.8° |
| H17 | C13 | C14 | H19 | 63.7° | 57.7° |
| H17 | C13 | S1 | C19 | 67.9° | 64.9° |
| H17 | C13 | S1 | O3 | 175.0° | 176.5° |
| H17 | C13 | S1 | O4 | 74.1° | 46.7° |
| S1 | C13 | C14 | C15 | 176.1° | 177.6° |
| S1 | C13 | C14 | H18 | 63.9° | 57.6° |
| S1 | C13 | C14 | H19 | 56.2° | 62.5° |
| C13 | S1 | C19 | C18 | 45.0° | 90.0° |
| C13 | S1 | C19 | C20 | 134.6° | 90.0° |
| C13 | S1 | C19 | O3 | 123.8° | 116.1° |
| C13 | S1 | C19 | O4 | 137.5° | 116.0° |
| C13 | S1 | O3 | O4 | 110.6° | 131.5° |
| C15 | C14 | H18 | H19 | 122.7° | 120.1° |
| C14 | C15 | H20 | H21 | 120.9° | 120.0° |
| H18 | C14 | C15 | H20 | 168.1° | 179.3° |
| H18 | C14 | C15 | H21 | 71.9° | 59.3° |
| H19 | C14 | C15 | H20 | 71.9° | 59.1° |
| H19 | C14 | C15 | H21 | 48.1° | 60.8° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| N3 | C17 | C18 | H22 | 180.0° | 180.0° |
| N3 | C17 | C18 | C19 | 0.5° | 0.0° |
| N3 | C17 | C18 | H23 | 179.5° | 180.0° |
| C17 | N3 | C21 | C20 | 0.7° | 0.1° |
| C17 | N3 | C21 | H25 | 179.3° | 180.0° |
| C21 | N3 | C17 | C18 | 0.8° | 0.1° |
| C21 | N3 | C17 | H22 | 179.2° | 180.0° |
| N3 | C21 | C20 | C19 | 0.3° | 0.1° |
| N3 | C21 | C20 | H25 | 180.0° | 179.9° |
| N3 | C21 | C20 | H24 | 179.7° | 180.0° |
| C17 | C18 | C19 | H23 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C18 | C19 | S1 | 179.7° | 180.0° |
| H22 | C17 | C18 | C19 | 179.5° | 180.0° |
| H22 | C17 | C18 | H23 | 0.5° | 0.0° |
| C18 | C19 | C20 | S1 | 179.6° | 180.0° |
| C18 | C19 | C20 | C21 | 0.0° | 0.0° |
| C18 | C19 | C20 | H24 | 180.0° | 180.0° |
| C18 | C19 | S1 | O3 | 168.8° | 26.1° |
| C18 | C19 | S1 | O4 | 92.5° | 153.9° |
| H23 | C18 | C19 | C20 | 179.9° | 180.0° |
| H23 | C18 | C19 | S1 | 0.3° | 0.0° |
| C19 | C20 | C21 | H24 | 180.0° | 179.9° |
| C19 | C20 | C21 | H25 | 179.7° | 180.0° |
| C20 | C19 | S1 | O3 | 10.8° | 153.9° |
| C20 | C19 | S1 | O4 | 88.0° | 26.0° |
| S1 | C19 | C20 | C21 | 179.6° | 180.0° |
| S1 | C19 | C20 | H24 | 0.4° | 0.0° |
| C19 | S1 | O3 | O4 | 120.9° | 116.7° |
| H24 | C20 | C21 | H25 | 0.3° | 0.1° |
