S5E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | N5 | sing | 1.46Å | 1.45Å | |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| N5 | C20 | sing | 1.35Å | 1.33Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | O3 | doub | 1.21Å | 1.23Å | |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.55Å | |
| C11 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C18 | N4 | sing | 1.46Å | 1.46Å | |
| C18 | C22 | sing | 1.51Å | 1.52Å | |
| C27 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| N4 | C17 | sing | 1.35Å | 1.34Å | |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| F1 | C28 | sing | 1.40Å | 1.33Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C28 | sing | 1.51Å | 1.49Å | |
| C | C1 | sing | 1.51Å | 1.49Å | |
| C17 | C8 | sing | 1.51Å | 1.53Å | |
| C17 | O2 | doub | 1.21Å | 1.23Å | |
| C28 | F2 | sing | 1.40Å | 1.33Å | |
| C28 | F | sing | 1.40Å | 1.33Å | |
| C8 | N3 | sing | 1.46Å | 1.46Å | |
| N3 | C7 | sing | 1.35Å | 1.35Å | |
| C1 | N | doub | 1.30Å | 1.30Å | Aromatic |
| C1 | C2 | sing | 1.42Å | 1.43Å | Aromatic |
| N | O | sing | 1.21Å | 1.42Å | Aromatic |
| C2 | C7 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | doub | 1.40Å | 1.37Å | Aromatic |
| O | C3 | sing | 1.34Å | 1.35Å | Aromatic |
| C7 | O1 | doub | 1.22Å | 1.23Å | |
| C3 | C4 | sing | 1.47Å | 1.46Å | |
| C6 | C5 | sing | 1.51Å | 1.49Å | |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | S | sing | 1.77Å | 1.70Å | Aromatic |
| C5 | N1 | sing | 1.31Å | 1.37Å | Aromatic |
| S | N2 | sing | 1.57Å | 1.68Å | Aromatic |
| N1 | N2 | doub | 1.27Å | 1.29Å | Aromatic |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| N5 | H21 | sing | 0.97Å | 1.00Å | |
| N4 | H22 | sing | 0.97Å | 1.00Å | |
| N3 | H23 | sing | 0.97Å | 1.00Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å | |
| C | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.09Å | 1.10Å | |
| C6 | H28 | sing | 1.09Å | 1.10Å | |
| C6 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 120.2° | 120.0° |
| C13 | C14 | C15 | 119.7° | 120.0° |
| C14 | C13 | H7 | 119.9° | 120.0° |
| C13 | C14 | H8 | 120.2° | 120.0° |
| C13 | C12 | C11 | 120.7° | 120.0° |
| C13 | C12 | H6 | 119.6° | 120.0° |
| C12 | C13 | H7 | 119.9° | 120.0° |
| C21 | N5 | C20 | 122.7° | 120.0° |
| N5 | C21 | H13 | 109.5° | 109.5° |
| N5 | C21 | H14 | 109.5° | 109.5° |
| N5 | C21 | H15 | 109.5° | 109.4° |
| C21 | N5 | H21 | 118.6° | 120.0° |
| C14 | C15 | C16 | 120.2° | 119.9° |
| C15 | C14 | H8 | 120.2° | 120.0° |
| C14 | C15 | H9 | 119.9° | 120.0° |
| N5 | C20 | O3 | 123.0° | 120.0° |
| N5 | C20 | C19 | 115.4° | 120.0° |
| C20 | N5 | H21 | 118.6° | 120.0° |
| C12 | C11 | C16 | 118.5° | 120.0° |
| C12 | C11 | C10 | 120.8° | 120.0° |
| C11 | C12 | H6 | 119.7° | 120.0° |
| O3 | C20 | C19 | 121.6° | 120.0° |
| C20 | C19 | C18 | 109.6° | 109.5° |
| C20 | C19 | H11 | 109.4° | 109.5° |
| C20 | C19 | H12 | 109.4° | 109.5° |
| C15 | C16 | C11 | 120.7° | 120.0° |
| C16 | C15 | H9 | 119.9° | 120.0° |
| C15 | C16 | H10 | 119.7° | 120.0° |
| C19 | C18 | N4 | 108.1° | 109.5° |
| C19 | C18 | C22 | 110.4° | 109.5° |
| C18 | C19 | H11 | 109.5° | 109.5° |
| C18 | C19 | H12 | 109.5° | 109.5° |
| C19 | C18 | H20 | 108.4° | 109.5° |
| C16 | C11 | C10 | 120.7° | 120.0° |
| C11 | C16 | H10 | 119.7° | 120.0° |
| C11 | C10 | C9 | 112.1° | 109.5° |
| C11 | C10 | H4 | 108.8° | 109.5° |
| C11 | C10 | H5 | 108.8° | 109.5° |
| N4 | C18 | C22 | 111.5° | 109.5° |
| C18 | N4 | C17 | 123.6° | 120.0° |
| N4 | C18 | H20 | 109.6° | 109.4° |
| C18 | N4 | H22 | 118.2° | 120.0° |
| C18 | C22 | C27 | 121.1° | 120.0° |
| C18 | C22 | C23 | 120.7° | 120.0° |
| C22 | C18 | H20 | 108.9° | 109.5° |
| C22 | C27 | C26 | 121.0° | 120.0° |
| C27 | C22 | C23 | 118.2° | 120.0° |
| C22 | C27 | H17 | 119.5° | 120.0° |
| C27 | C26 | C25 | 120.7° | 120.0° |
| C26 | C27 | H17 | 119.5° | 120.0° |
| C27 | C26 | H19 | 119.7° | 120.0° |
| C10 | C9 | C8 | 114.4° | 109.4° |
| C10 | C9 | H2 | 108.2° | 109.5° |
| C10 | C9 | H3 | 108.2° | 109.5° |
| C9 | C10 | H4 | 108.8° | 109.5° |
| C9 | C10 | H5 | 108.8° | 109.5° |
| C9 | C8 | C17 | 108.6° | 109.4° |
| C9 | C8 | N3 | 111.6° | 109.5° |
| C9 | C8 | H1 | 108.5° | 109.5° |
| C8 | C9 | H2 | 108.2° | 109.5° |
| C8 | C9 | H3 | 108.2° | 109.5° |
| N4 | C17 | C8 | 115.8° | 120.0° |
| N4 | C17 | O2 | 123.7° | 120.0° |
| C17 | N4 | H22 | 118.2° | 120.0° |
| C22 | C23 | C24 | 121.0° | 120.0° |
| C22 | C23 | H18 | 119.5° | 120.0° |
| F1 | C28 | C25 | 112.2° | 109.5° |
| F1 | C28 | F2 | 105.6° | 109.5° |
| F1 | C28 | F | 105.4° | 109.5° |
| C26 | C25 | C24 | 118.5° | 120.0° |
| C26 | C25 | C28 | 120.8° | 120.0° |
| C25 | C26 | H19 | 119.6° | 120.0° |
| C23 | C24 | C25 | 120.7° | 120.0° |
| C23 | C24 | H16 | 119.7° | 120.0° |
| C24 | C23 | H18 | 119.5° | 120.0° |
| C24 | C25 | C28 | 120.7° | 120.0° |
| C25 | C24 | H16 | 119.6° | 120.0° |
| C25 | C28 | F2 | 112.7° | 109.4° |
| C25 | C28 | F | 112.7° | 109.5° |
| C | C1 | N | 119.0° | 126.8° |
| C | C1 | C2 | 129.7° | 126.8° |
| C1 | C | H24 | 109.5° | 109.5° |
| C1 | C | H25 | 109.4° | 109.5° |
| C1 | C | H26 | 109.5° | 109.5° |
| C8 | C17 | O2 | 120.5° | 120.0° |
| C17 | C8 | N3 | 110.0° | 109.5° |
| C17 | C8 | H1 | 108.6° | 109.5° |
| F2 | C28 | F | 107.7° | 109.4° |
| C8 | N3 | C7 | 122.6° | 120.0° |
| N3 | C8 | H1 | 109.5° | 109.5° |
| C8 | N3 | H23 | 118.7° | 120.0° |
| N3 | C7 | C2 | 116.1° | 120.0° |
| N3 | C7 | O1 | 123.4° | 120.0° |
| C7 | N3 | H23 | 118.7° | 120.0° |
| N | C1 | C2 | 111.3° | 106.5° |
| C1 | N | O | 106.3° | 112.8° |
| C1 | C2 | C7 | 127.0° | 128.4° |
| C1 | C2 | C3 | 104.1° | 103.2° |
| N | O | C3 | 108.3° | 112.0° |
| C7 | C2 | C3 | 128.9° | 128.4° |
| C2 | C7 | O1 | 120.6° | 120.0° |
| C2 | C3 | O | 110.0° | 105.6° |
| C2 | C3 | C4 | 133.5° | 127.2° |
| O | C3 | C4 | 116.5° | 127.2° |
| C3 | C4 | C5 | 130.3° | 128.5° |
| C3 | C4 | S | 122.1° | 128.5° |
| C6 | C5 | C4 | 127.4° | 124.1° |
| C6 | C5 | N1 | 118.9° | 124.1° |
| C5 | C6 | H27 | 109.5° | 109.4° |
| C5 | C6 | H28 | 109.5° | 109.5° |
| C5 | C6 | H29 | 109.5° | 109.5° |
| C5 | C4 | S | 107.7° | 103.1° |
| C4 | C5 | N1 | 113.7° | 111.9° |
| C4 | S | N2 | 92.8° | 95.3° |
| C5 | N1 | N2 | 114.1° | 120.0° |
| S | N2 | N1 | 111.7° | 109.8° |
| H2 | C9 | H3 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.4° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.4° |
| H13 | C21 | H15 | 109.4° | 109.5° |
| H14 | C21 | H15 | 109.5° | 109.5° |
| H24 | C | H25 | 109.5° | 109.5° |
| H24 | C | H26 | 109.5° | 109.5° |
| H25 | C | H26 | 109.4° | 109.4° |
| H27 | C6 | H28 | 109.5° | 109.4° |
| H27 | C6 | H29 | 109.5° | 109.5° |
| H28 | C6 | H29 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H7 | 180.0° | 180.0° |
| C13 | C14 | C15 | H8 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.1° |
| C14 | C13 | C12 | H6 | 179.9° | 180.0° |
| C13 | C14 | C15 | H9 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.0° |
| C13 | C12 | C11 | H6 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 0.1° | 0.0° |
| C13 | C12 | C11 | C10 | 179.9° | 179.7° |
| C12 | C13 | C14 | H8 | 180.0° | 179.9° |
| C21 | N5 | C20 | H21 | 180.0° | 179.9° |
| C21 | N5 | C20 | O3 | 0.0° | 0.0° |
| C21 | N5 | C20 | C19 | 180.0° | 180.0° |
| N5 | C21 | H13 | H14 | 120.0° | 120.0° |
| N5 | C21 | H13 | H15 | 120.0° | 120.0° |
| N5 | C21 | H14 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H9 | 180.0° | 179.9° |
| C14 | C15 | C16 | C11 | 0.0° | 0.1° |
| C15 | C14 | C13 | H7 | 180.0° | 180.0° |
| C14 | C15 | C16 | H10 | 180.0° | 179.8° |
| N5 | C20 | O3 | C19 | 180.0° | 180.0° |
| N5 | C20 | C19 | C18 | 107.5° | 173.4° |
| N5 | C20 | C19 | H11 | 12.6° | 66.6° |
| N5 | C20 | C19 | H12 | 132.5° | 53.4° |
| C20 | N5 | C21 | H13 | 180.0° | 60.0° |
| C20 | N5 | C21 | H14 | 60.0° | 179.9° |
| C20 | N5 | C21 | H15 | 60.0° | 60.0° |
| C12 | C11 | C16 | C15 | 0.1° | 0.0° |
| C12 | C11 | C16 | C10 | 179.8° | 179.7° |
| C12 | C11 | C10 | C9 | 71.0° | 89.7° |
| C12 | C11 | C10 | H4 | 168.6° | 150.3° |
| C12 | C11 | C10 | H5 | 49.4° | 30.3° |
| C11 | C12 | C13 | H7 | 180.0° | 179.9° |
| C12 | C11 | C16 | H10 | 179.9° | 179.8° |
| O3 | C20 | C19 | C18 | 72.6° | 6.6° |
| O3 | C20 | C19 | H11 | 167.4° | 113.4° |
| O3 | C20 | C19 | H12 | 47.5° | 126.6° |
| O3 | C20 | N5 | H21 | 179.9° | 180.0° |
| C20 | C19 | C18 | H11 | 120.0° | 120.0° |
| C20 | C19 | C18 | H12 | 120.0° | 120.0° |
| C20 | C19 | C18 | N4 | 56.2° | 173.4° |
| C20 | C19 | C18 | C22 | 178.3° | 66.6° |
| C20 | C19 | H11 | H12 | 119.9° | 120.0° |
| C20 | C19 | C18 | H20 | 62.5° | 53.4° |
| C19 | C20 | N5 | H21 | 0.0° | 0.1° |
| C15 | C16 | C11 | H10 | 180.0° | 179.7° |
| C15 | C16 | C11 | C10 | 179.9° | 179.7° |
| C16 | C15 | C14 | H8 | 180.0° | 179.9° |
| C19 | C18 | N4 | C22 | 121.5° | 120.0° |
| C19 | C18 | N4 | H20 | 117.9° | 120.0° |
| C19 | C18 | C22 | H20 | 118.9° | 120.0° |
| C19 | C18 | C22 | C27 | 68.6° | 79.8° |
| C19 | C18 | N4 | C17 | 129.9° | 85.8° |
| C19 | C18 | C22 | C23 | 111.1° | 100.0° |
| C18 | C19 | H11 | H12 | 120.0° | 120.0° |
| C19 | C18 | N4 | H22 | 50.1° | 94.2° |
| C16 | C11 | C10 | C9 | 108.9° | 90.0° |
| C16 | C11 | C10 | H4 | 11.5° | 30.0° |
| C16 | C11 | C10 | H5 | 130.8° | 150.0° |
| C16 | C11 | C12 | H6 | 179.9° | 180.0° |
| C11 | C16 | C15 | H9 | 179.9° | 180.0° |
| C11 | C10 | C9 | H4 | 120.4° | 120.0° |
| C11 | C10 | C9 | H5 | 120.4° | 120.0° |
| C11 | C10 | C9 | C8 | 178.8° | 180.0° |
| C11 | C10 | C9 | H2 | 60.5° | 60.0° |
| C11 | C10 | C9 | H3 | 58.0° | 60.0° |
| C11 | C10 | H4 | H5 | 118.8° | 120.0° |
| C10 | C11 | C12 | H6 | 0.1° | 0.3° |
| C10 | C11 | C16 | H10 | 0.1° | 0.0° |
| N4 | C18 | C22 | H20 | 121.0° | 120.0° |
| N4 | C18 | C22 | C27 | 171.3° | 40.3° |
| C18 | N4 | C17 | H22 | 180.0° | 180.0° |
| N4 | C18 | C22 | C23 | 9.1° | 140.0° |
| C18 | N4 | C17 | C8 | 176.4° | 175.0° |
| C18 | N4 | C17 | O2 | 3.6° | 4.9° |
| N4 | C18 | C19 | H11 | 63.8° | 53.4° |
| N4 | C18 | C19 | H12 | 176.2° | 66.6° |
| C18 | C22 | C27 | C23 | 179.7° | 179.7° |
| C18 | C22 | C27 | C26 | 179.9° | 179.7° |
| C22 | C18 | N4 | C17 | 108.6° | 154.1° |
| C18 | C22 | C23 | C24 | 179.8° | 179.8° |
| C22 | C18 | C19 | H11 | 58.3° | 173.4° |
| C22 | C18 | C19 | H12 | 61.6° | 53.4° |
| C18 | C22 | C27 | H17 | 0.1° | 0.3° |
| C18 | C22 | C23 | H18 | 0.2° | 0.3° |
| C22 | C18 | N4 | H22 | 71.4° | 25.8° |
| C22 | C27 | C26 | H17 | 180.0° | 180.0° |
| C22 | C27 | C26 | C25 | 0.1° | 0.0° |
| C27 | C22 | C23 | C24 | 0.1° | 0.0° |
| C27 | C22 | C23 | H18 | 179.8° | 180.0° |
| C22 | C27 | C26 | H19 | 179.9° | 180.0° |
| C27 | C22 | C18 | H20 | 50.3° | 160.2° |
| C26 | C27 | C22 | C23 | 0.2° | 0.0° |
| C27 | C26 | C25 | H19 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.0° | 0.0° |
| C27 | C26 | C25 | C28 | 179.8° | 180.0° |
| C10 | C9 | C8 | H2 | 120.7° | 120.0° |
| C10 | C9 | C8 | H3 | 120.7° | 120.0° |
| C10 | C9 | C8 | C17 | 171.4° | 175.0° |
| C10 | C9 | C8 | N3 | 67.2° | 65.0° |
| C10 | C9 | C8 | H1 | 53.5° | 55.0° |
| C10 | C9 | H2 | H3 | 117.8° | 120.0° |
| C9 | C10 | H4 | H5 | 118.8° | 120.0° |
| C9 | C8 | C17 | N4 | 69.9° | 60.0° |
| C9 | C8 | C17 | N3 | 122.4° | 120.0° |
| C9 | C8 | C17 | H1 | 117.8° | 119.9° |
| C9 | C8 | C17 | O2 | 110.1° | 120.1° |
| C9 | C8 | N3 | H1 | 120.1° | 120.0° |
| C9 | C8 | N3 | C7 | 163.7° | 85.0° |
| C8 | C9 | H2 | H3 | 117.8° | 120.0° |
| C8 | C9 | C10 | H4 | 58.4° | 60.0° |
| C8 | C9 | C10 | H5 | 60.8° | 60.0° |
| C9 | C8 | N3 | H23 | 16.2° | 95.0° |
| N4 | C17 | C8 | O2 | 180.0° | 179.9° |
| N4 | C17 | C8 | N3 | 52.5° | 180.0° |
| N4 | C17 | C8 | H1 | 172.3° | 59.9° |
| C17 | N4 | C18 | H20 | 12.0° | 34.1° |
| C22 | C23 | C24 | H18 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.0° | 0.1° |
| C22 | C23 | C24 | H16 | 179.9° | 180.0° |
| C23 | C22 | C27 | H17 | 179.8° | 180.0° |
| C23 | C22 | C18 | H20 | 130.0° | 20.0° |
| F1 | C28 | C25 | C26 | 90.5° | 30.0° |
| F1 | C28 | C25 | C24 | 89.3° | 150.0° |
| F1 | C28 | C25 | F2 | 119.1° | 120.0° |
| F1 | C28 | C25 | F | 118.7° | 120.0° |
| F1 | C28 | F2 | F | 112.3° | 120.0° |
| C26 | C25 | C24 | C23 | 0.0° | 0.1° |
| C26 | C25 | C24 | C28 | 179.8° | 180.0° |
| C26 | C25 | C28 | F2 | 28.6° | 90.1° |
| C26 | C25 | C28 | F | 150.8° | 150.0° |
| C26 | C25 | C24 | H16 | 180.0° | 180.0° |
| C25 | C26 | C27 | H17 | 179.9° | 180.0° |
| C23 | C24 | C25 | H16 | 180.0° | 179.9° |
| C23 | C24 | C25 | C28 | 179.8° | 179.9° |
| C24 | C25 | C28 | F2 | 151.6° | 90.0° |
| C24 | C25 | C28 | F | 29.4° | 30.0° |
| C25 | C24 | C23 | H18 | 179.9° | 180.0° |
| C24 | C25 | C26 | H19 | 180.0° | 179.9° |
| C25 | C28 | F2 | F | 124.9° | 120.0° |
| C28 | C25 | C24 | H16 | 0.2° | 0.0° |
| C28 | C25 | C26 | H19 | 0.2° | 0.1° |
| C | C1 | N | C2 | 180.0° | 179.7° |
| C | C1 | N | O | 180.0° | 179.7° |
| C | C1 | C2 | C7 | 0.0° | 0.3° |
| C | C1 | C2 | C3 | 180.0° | 179.7° |
| C1 | C | H24 | H25 | 120.0° | 120.0° |
| C1 | C | H24 | H26 | 120.0° | 120.1° |
| C1 | C | H25 | H26 | 120.0° | 120.0° |
| C17 | C8 | N3 | H1 | 119.2° | 120.0° |
| C17 | C8 | N3 | C7 | 75.6° | 155.0° |
| C17 | C8 | C9 | H2 | 67.9° | 55.0° |
| C17 | C8 | C9 | H3 | 50.6° | 65.0° |
| C8 | C17 | N4 | H22 | 3.6° | 5.1° |
| C17 | C8 | N3 | H23 | 104.4° | 25.0° |
| O2 | C17 | C8 | N3 | 127.5° | 0.1° |
| O2 | C17 | C8 | H1 | 7.7° | 120.0° |
| O2 | C17 | N4 | H22 | 176.4° | 175.0° |
| C8 | N3 | C7 | H23 | 180.0° | 180.0° |
| C8 | N3 | C7 | C2 | 170.0° | 180.0° |
| C8 | N3 | C7 | O1 | 9.7° | 0.0° |
| N3 | C8 | C9 | H2 | 53.6° | 175.0° |
| N3 | C8 | C9 | H3 | 172.1° | 55.0° |
| N3 | C7 | C2 | C1 | 45.2° | 90.0° |
| N3 | C7 | C2 | O1 | 179.8° | 179.9° |
| N3 | C7 | C2 | C3 | 134.8° | 90.0° |
| C7 | N3 | C8 | H1 | 43.6° | 35.0° |
| N | C1 | C2 | C7 | 180.0° | 180.0° |
| N | C1 | C2 | C3 | 0.0° | 0.0° |
| C1 | N | O | C3 | 0.1° | 0.0° |
| N | C1 | C | H24 | 0.0° | 90.0° |
| N | C1 | C | H25 | 120.0° | 150.0° |
| N | C1 | C | H26 | 120.0° | 30.1° |
| C2 | C1 | N | O | 0.0° | 0.0° |
| C1 | C2 | C7 | C3 | 180.0° | 180.0° |
| C1 | C2 | C3 | O | 0.1° | 0.0° |
| C1 | C2 | C7 | O1 | 135.1° | 90.1° |
| C1 | C2 | C3 | C4 | 179.9° | 179.9° |
| C2 | C1 | C | H24 | 180.0° | 89.7° |
| C2 | C1 | C | H25 | 60.0° | 30.4° |
| C2 | C1 | C | H26 | 59.9° | 150.3° |
| N | O | C3 | C2 | 0.1° | 0.0° |
| N | O | C3 | C4 | 180.0° | 179.9° |
| C7 | C2 | C3 | O | 179.9° | 180.0° |
| C7 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C7 | N3 | H23 | 10.0° | 0.1° |
| C2 | C3 | O | C4 | 179.9° | 180.0° |
| C3 | C2 | C7 | O1 | 44.9° | 89.9° |
| C2 | C3 | C4 | C5 | 163.0° | 180.0° |
| C2 | C3 | C4 | S | 16.9° | 0.3° |
| O | C3 | C4 | C5 | 17.1° | 0.1° |
| O | C3 | C4 | S | 163.0° | 179.7° |
| O1 | C7 | N3 | H23 | 170.3° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | S | 179.9° | 179.7° |
| C3 | C4 | C5 | N1 | 180.0° | 179.9° |
| C3 | C4 | S | N2 | 180.0° | 179.9° |
| C6 | C5 | C4 | N1 | 179.9° | 179.9° |
| C6 | C5 | C4 | S | 180.0° | 179.7° |
| C6 | C5 | N1 | N2 | 180.0° | 179.7° |
| C5 | C6 | H27 | H28 | 120.0° | 120.0° |
| C5 | C6 | H27 | H29 | 120.0° | 120.0° |
| C5 | C6 | H28 | H29 | 120.0° | 120.0° |
| C5 | C4 | S | N2 | 0.1° | 0.2° |
| C4 | C5 | N1 | N2 | 0.0° | 0.4° |
| C4 | C5 | C6 | H27 | 179.9° | 90.0° |
| C4 | C5 | C6 | H28 | 59.9° | 150.1° |
| C4 | C5 | C6 | H29 | 60.1° | 30.0° |
| S | C4 | C5 | N1 | 0.1° | 0.4° |
| C4 | S | N2 | N1 | 0.1° | 0.0° |
| C5 | N1 | N2 | S | 0.0° | 0.3° |
| N1 | C5 | C6 | H27 | 0.0° | 89.9° |
| N1 | C5 | C6 | H28 | 120.0° | 30.1° |
| N1 | C5 | C6 | H29 | 120.0° | 150.1° |
| H1 | C8 | C9 | H2 | 174.2° | 64.9° |
| H1 | C8 | C9 | H3 | 67.2° | 175.1° |
| H1 | C8 | N3 | H23 | 136.4° | 145.0° |
| H2 | C9 | C10 | H4 | 179.1° | 180.0° |
| H2 | C9 | C10 | H5 | 59.9° | 60.0° |
| H3 | C9 | C10 | H4 | 62.4° | 60.0° |
| H3 | C9 | C10 | H5 | 178.4° | 180.0° |
| H6 | C12 | C13 | H7 | 0.1° | 0.1° |
| H7 | C13 | C14 | H8 | 0.0° | 0.0° |
| H8 | C14 | C15 | H9 | 0.0° | 0.0° |
| H9 | C15 | C16 | H10 | 0.0° | 0.3° |
| H11 | C19 | C18 | H20 | 177.5° | 66.6° |
| H12 | C19 | C18 | H20 | 57.5° | 173.4° |
| H13 | C21 | H14 | H15 | 120.0° | 120.0° |
| H13 | C21 | N5 | H21 | 0.0° | 120.0° |
| H14 | C21 | N5 | H21 | 120.0° | 0.0° |
| H15 | C21 | N5 | H21 | 120.0° | 120.1° |
| H16 | C24 | C23 | H18 | 0.1° | 0.0° |
| H17 | C27 | C26 | H19 | 0.1° | 0.0° |
| H20 | C18 | N4 | H22 | 168.0° | 145.8° |
| H24 | C | H25 | H26 | 120.1° | 120.0° |
| H27 | C6 | H28 | H29 | 120.0° | 120.0° |
