73L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.34Å | 1.37Å | Aromatic |
| C1 | N | sing | 1.32Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C2 | C5 | sing | 1.51Å | 1.53Å | |
| C2 | S | sing | 1.76Å | 1.74Å | Aromatic |
| C3 | S | sing | 1.71Å | 1.75Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C3 | N | doub | 1.29Å | 1.31Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.36Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | S1 | sing | 1.81Å | 1.76Å | |
| C10 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.46Å | |
| C11 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C12 | O | doub | 1.22Å | 1.22Å | |
| C12 | N2 | sing | 1.35Å | 1.40Å | |
| C13 | N2 | sing | 1.34Å | 1.39Å | |
| C13 | O1 | doub | 1.22Å | 1.21Å | |
| C13 | N1 | sing | 1.34Å | 1.38Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C14 | N2 | sing | 1.46Å | 1.46Å | |
| C15 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C17 | doub | 1.35Å | 1.35Å | Aromatic |
| C16 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.49Å | |
| C19 | C21 | sing | 1.53Å | 1.49Å | |
| C19 | C22 | sing | 1.53Å | 1.52Å | |
| C19 | N5 | sing | 1.47Å | 1.49Å | |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| O3 | S1 | sing | 1.66Å | 1.43Å | |
| S1 | O2 | sing | 1.66Å | 1.43Å | |
| S1 | N5 | sing | 1.75Å | 1.62Å | |
| C6 | N1 | sing | 1.39Å | 1.42Å | |
| C17 | N4 | sing | 1.35Å | 1.34Å | Aromatic |
| N4 | C18 | sing | 1.46Å | 1.46Å | |
| N4 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| N1 | C5 | sing | 1.47Å | 1.46Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| O3 | H26 | sing | 0.97Å | 0.95Å | |
| O2 | H27 | sing | 0.97Å | 0.95Å | |
| N5 | H18 | sing | 1.01Å | 1.00Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N | 115.7° | 114.5° |
| C2 | C1 | C | 126.3° | 122.8° |
| C1 | C2 | C5 | 128.0° | 126.1° |
| C1 | C2 | S | 109.5° | 107.9° |
| N | C1 | C | 118.0° | 122.7° |
| C1 | N | C3 | 111.5° | 117.1° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H | 109.5° | 109.5° |
| C5 | C2 | S | 122.5° | 126.0° |
| C2 | C5 | N1 | 113.3° | 109.5° |
| C2 | C5 | H6 | 108.5° | 109.4° |
| C2 | C5 | H7 | 108.5° | 109.5° |
| C2 | S | C3 | 89.3° | 90.3° |
| S | C3 | C4 | 120.9° | 124.9° |
| S | C3 | N | 114.0° | 110.2° |
| C4 | C3 | N | 125.0° | 124.9° |
| C3 | C4 | H3 | 109.5° | 109.5° |
| C3 | C4 | H5 | 109.5° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C8 | C7 | C6 | 122.0° | 119.8° |
| C7 | C8 | C9 | 119.5° | 120.6° |
| C8 | C7 | H8 | 119.0° | 120.1° |
| C7 | C8 | H9 | 120.3° | 119.7° |
| C7 | C6 | C11 | 118.7° | 119.6° |
| C7 | C6 | N1 | 122.5° | 121.6° |
| C6 | C7 | H8 | 119.0° | 120.1° |
| C8 | C9 | C10 | 120.6° | 120.4° |
| C8 | C9 | S1 | 119.3° | 119.8° |
| C9 | C8 | H9 | 120.2° | 119.6° |
| C10 | C9 | S1 | 120.0° | 119.8° |
| C9 | C10 | C11 | 119.3° | 119.5° |
| C9 | C10 | H10 | 120.4° | 120.2° |
| C9 | S1 | O3 | 106.9° | 180.0° |
| C9 | S1 | O2 | 109.2° | 90.0° |
| C9 | S1 | N5 | 107.4° | 90.0° |
| C10 | C11 | C12 | 119.8° | 121.7° |
| C10 | C11 | C6 | 119.8° | 120.0° |
| C11 | C10 | H10 | 120.3° | 120.2° |
| C12 | C11 | C6 | 120.4° | 118.2° |
| C11 | C12 | O | 124.3° | 120.9° |
| C11 | C12 | N2 | 115.5° | 118.3° |
| C11 | C6 | N1 | 118.9° | 118.7° |
| O | C12 | N2 | 120.2° | 120.8° |
| C12 | N2 | C13 | 125.3° | 121.2° |
| C12 | N2 | C14 | 117.1° | 119.4° |
| N2 | C13 | O1 | 120.8° | 118.6° |
| N2 | C13 | N1 | 117.5° | 122.8° |
| C13 | N2 | C14 | 117.6° | 119.4° |
| O1 | C13 | N1 | 121.6° | 118.6° |
| C13 | N1 | C6 | 122.3° | 120.7° |
| C13 | N1 | C5 | 117.1° | 119.7° |
| C15 | C14 | N2 | 111.4° | 109.5° |
| C14 | C15 | C16 | 128.4° | 126.1° |
| C14 | C15 | C17 | 127.2° | 126.0° |
| C15 | C14 | H11 | 109.0° | 109.5° |
| C15 | C14 | H12 | 109.0° | 109.4° |
| N2 | C14 | H11 | 109.0° | 109.5° |
| N2 | C14 | H12 | 109.0° | 109.5° |
| C16 | C15 | C17 | 104.4° | 107.9° |
| C15 | C16 | N3 | 111.8° | 108.2° |
| C15 | C16 | H13 | 124.1° | 125.9° |
| C15 | C17 | N4 | 107.6° | 107.8° |
| C15 | C17 | H14 | 126.2° | 126.1° |
| C16 | N3 | N4 | 104.3° | 108.2° |
| N3 | C16 | H13 | 124.1° | 125.8° |
| C20 | C19 | C21 | 60.5° | 60.0° |
| C20 | C19 | C22 | 120.3° | 117.5° |
| C20 | C19 | N5 | 115.7° | 117.5° |
| C19 | C20 | C21 | 59.8° | 60.0° |
| C19 | C20 | H20 | 120.1° | 117.5° |
| C19 | C20 | H19 | 120.0° | 117.5° |
| C21 | C19 | C22 | 119.4° | 117.5° |
| C21 | C19 | N5 | 116.0° | 117.5° |
| C19 | C21 | C20 | 59.8° | 60.0° |
| C19 | C21 | H21 | 120.0° | 117.5° |
| C19 | C21 | H22 | 120.1° | 117.5° |
| C22 | C19 | N5 | 114.5° | 115.6° |
| C19 | C22 | H25 | 109.5° | 109.5° |
| C19 | C22 | H24 | 109.5° | 109.4° |
| C19 | C22 | H23 | 109.4° | 109.4° |
| C19 | N5 | S1 | 127.4° | 111.0° |
| C19 | N5 | H18 | 104.8° | 111.0° |
| C21 | C20 | H20 | 120.1° | 117.6° |
| C21 | C20 | H19 | 120.0° | 117.5° |
| C20 | C21 | H21 | 120.0° | 117.5° |
| C20 | C21 | H22 | 120.1° | 117.5° |
| O3 | S1 | O2 | 119.2° | 90.0° |
| O3 | S1 | N5 | 104.5° | 90.0° |
| S1 | O3 | H26 | 109.5° | 114.0° |
| O2 | S1 | N5 | 109.1° | 120.0° |
| S1 | O2 | H27 | 109.5° | 114.0° |
| S1 | N5 | H18 | 104.8° | 111.0° |
| C6 | N1 | C5 | 120.5° | 119.6° |
| C17 | N4 | C18 | 128.2° | 126.0° |
| C17 | N4 | N3 | 111.9° | 107.9° |
| N4 | C17 | H14 | 126.2° | 126.1° |
| C18 | N4 | N3 | 119.9° | 126.1° |
| N4 | C18 | H17 | 109.5° | 109.5° |
| N4 | C18 | H16 | 109.5° | 109.4° |
| N4 | C18 | H15 | 109.5° | 109.5° |
| N1 | C5 | H6 | 108.5° | 109.5° |
| N1 | C5 | H7 | 108.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H20 | C20 | H19 | 109.5° | 115.5° |
| H21 | C21 | H22 | 109.5° | 115.6° |
| H25 | C22 | H24 | 109.5° | 109.5° |
| H25 | C22 | H23 | 109.5° | 109.5° |
| H24 | C22 | H23 | 109.5° | 109.5° |
| H17 | C18 | H16 | 109.4° | 109.5° |
| H17 | C18 | H15 | 109.5° | 109.5° |
| H16 | C18 | H15 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H3 | C4 | H5 | 109.5° | 109.5° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H5 | C4 | H4 | 109.5° | 109.4° |
| H1 | C | H2 | 109.4° | 109.5° |
| H1 | C | H | 109.5° | 109.4° |
| H2 | C | H | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N | C | 179.8° | 179.7° |
| C1 | C2 | C5 | S | 178.8° | 180.0° |
| C1 | C2 | S | C3 | 0.9° | 0.0° |
| C2 | C1 | N | C3 | 0.5° | 0.0° |
| C1 | C2 | C5 | N1 | 106.1° | 103.3° |
| C1 | C2 | C5 | H6 | 14.5° | 16.6° |
| C1 | C2 | C5 | H7 | 133.4° | 136.7° |
| C2 | C1 | C | H1 | 179.7° | 85.1° |
| C2 | C1 | C | H2 | 59.7° | 154.8° |
| C2 | C1 | C | H | 60.2° | 34.8° |
| N | C1 | C2 | C5 | 178.5° | 179.9° |
| N | C1 | C2 | S | 0.5° | 0.0° |
| C1 | N | C3 | S | 1.2° | 0.0° |
| C1 | N | C3 | C4 | 179.1° | 180.0° |
| N | C1 | C | H1 | 0.0° | 95.2° |
| N | C1 | C | H2 | 120.0° | 24.9° |
| N | C1 | C | H | 120.0° | 144.9° |
| C | C1 | C2 | C5 | 1.2° | 0.2° |
| C | C1 | C2 | S | 179.8° | 179.7° |
| C | C1 | N | C3 | 179.3° | 179.7° |
| C1 | C | H1 | H2 | 120.0° | 120.1° |
| C1 | C | H1 | H | 120.0° | 119.9° |
| C1 | C | H2 | H | 120.0° | 120.0° |
| C5 | C2 | S | C3 | 178.1° | 179.9° |
| C2 | C5 | N1 | C13 | 95.7° | 95.4° |
| C2 | C5 | N1 | C6 | 80.3° | 84.5° |
| C2 | C5 | N1 | H6 | 120.6° | 119.9° |
| C2 | C5 | N1 | H7 | 120.6° | 120.0° |
| C2 | C5 | H6 | H7 | 118.2° | 120.0° |
| C2 | S | C3 | C4 | 179.2° | 179.9° |
| C2 | S | C3 | N | 1.3° | 0.0° |
| S | C2 | C5 | N1 | 75.1° | 76.7° |
| S | C2 | C5 | H6 | 164.3° | 163.3° |
| S | C2 | C5 | H7 | 45.5° | 43.3° |
| S | C3 | C4 | N | 177.7° | 179.9° |
| S | C3 | C4 | H3 | 0.0° | 90.0° |
| S | C3 | C4 | H5 | 120.0° | 149.9° |
| S | C3 | C4 | H4 | 120.0° | 30.0° |
| C3 | C4 | H3 | H5 | 120.0° | 120.0° |
| C3 | C4 | H3 | H4 | 120.0° | 120.0° |
| C3 | C4 | H5 | H4 | 120.0° | 119.9° |
| N | C3 | C4 | H3 | 177.7° | 89.9° |
| N | C3 | C4 | H5 | 62.3° | 30.1° |
| N | C3 | C4 | H4 | 57.7° | 150.0° |
| C8 | C7 | C6 | H8 | 180.0° | 179.8° |
| C7 | C8 | C9 | H9 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 1.5° | 0.0° |
| C7 | C8 | C9 | S1 | 178.2° | 180.0° |
| C8 | C7 | C6 | C11 | 1.6° | 0.0° |
| C8 | C7 | C6 | N1 | 178.9° | 179.9° |
| C6 | C7 | C8 | C9 | 0.6° | 0.1° |
| C7 | C6 | C11 | C10 | 0.5° | 0.0° |
| C7 | C6 | C11 | C12 | 178.2° | 179.9° |
| C7 | C6 | C11 | N1 | 179.5° | 179.9° |
| C7 | C6 | N1 | C13 | 179.8° | 180.0° |
| C7 | C6 | N1 | C5 | 4.3° | 0.1° |
| C6 | C7 | C8 | H9 | 179.4° | 180.0° |
| C8 | C9 | C10 | S1 | 179.7° | 180.0° |
| C8 | C9 | C10 | C11 | 2.6° | 0.0° |
| C8 | C9 | S1 | O3 | 57.5° | 61.7° |
| C8 | C9 | S1 | O2 | 172.4° | 146.4° |
| C8 | C9 | S1 | N5 | 54.2° | 26.4° |
| C9 | C8 | C7 | H8 | 179.4° | 179.8° |
| C8 | C9 | C10 | H10 | 177.4° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 179.8° | 180.0° |
| C9 | C10 | C11 | C6 | 1.6° | 0.0° |
| C10 | C9 | S1 | O3 | 122.2° | 118.4° |
| C10 | C9 | S1 | O2 | 7.9° | 33.6° |
| C10 | C9 | S1 | N5 | 126.1° | 153.6° |
| C10 | C9 | C8 | H9 | 178.5° | 180.0° |
| S1 | C9 | C10 | C11 | 177.1° | 180.0° |
| C9 | S1 | N5 | C19 | 70.4° | 145.6° |
| C9 | S1 | O3 | O2 | 124.3° | 84.8° |
| C9 | S1 | O3 | N5 | 113.6° | 35.2° |
| C9 | S1 | O2 | N5 | 117.1° | 90.0° |
| S1 | C9 | C8 | H9 | 1.8° | 0.0° |
| S1 | C9 | C10 | H10 | 2.9° | 0.0° |
| C9 | S1 | O3 | H26 | 180.0° | 103.0° |
| C9 | S1 | O2 | H27 | 180.0° | 0.0° |
| C9 | S1 | N5 | H18 | 167.2° | 90.4° |
| C10 | C11 | C12 | C6 | 178.6° | 179.9° |
| C10 | C11 | C12 | O | 0.4° | 0.1° |
| C10 | C11 | C12 | N2 | 179.3° | 179.9° |
| C10 | C11 | C6 | N1 | 180.0° | 179.9° |
| C11 | C12 | O | N2 | 178.9° | 180.0° |
| C11 | C12 | N2 | C13 | 1.8° | 0.0° |
| C11 | C12 | N2 | C14 | 179.4° | 180.0° |
| C12 | C11 | C6 | N1 | 1.4° | 0.0° |
| C12 | C11 | C10 | H10 | 0.2° | 0.1° |
| C6 | C11 | C12 | O | 178.2° | 180.0° |
| C6 | C11 | C12 | N2 | 0.7° | 0.0° |
| C11 | C6 | N1 | C13 | 0.3° | 0.1° |
| C11 | C6 | N1 | C5 | 176.2° | 180.0° |
| C11 | C6 | C7 | H8 | 178.4° | 179.8° |
| C6 | C11 | C10 | H10 | 178.4° | 180.0° |
| O | C12 | N2 | C13 | 179.2° | 180.0° |
| O | C12 | N2 | C14 | 0.4° | 0.0° |
| C12 | N2 | C13 | C14 | 178.8° | 180.0° |
| C12 | N2 | C13 | O1 | 179.6° | 180.0° |
| C12 | N2 | C13 | N1 | 3.5° | 0.0° |
| C12 | N2 | C14 | C15 | 89.5° | 90.0° |
| C12 | N2 | C14 | H11 | 30.8° | 30.0° |
| C12 | N2 | C14 | H12 | 150.2° | 150.1° |
| N2 | C13 | O1 | N1 | 176.8° | 180.0° |
| C13 | N2 | C14 | C15 | 89.4° | 90.0° |
| N2 | C13 | N1 | C6 | 2.6° | 0.1° |
| N2 | C13 | N1 | C5 | 178.6° | 180.0° |
| C13 | N2 | C14 | H11 | 150.3° | 150.0° |
| C13 | N2 | C14 | H12 | 30.9° | 29.9° |
| O1 | C13 | N2 | C14 | 0.8° | 0.0° |
| O1 | C13 | N1 | C6 | 179.5° | 180.0° |
| O1 | C13 | N1 | C5 | 4.5° | 0.0° |
| N1 | C13 | N2 | C14 | 177.7° | 180.0° |
| C13 | N1 | C6 | C5 | 175.8° | 180.0° |
| C13 | N1 | C5 | H6 | 24.9° | 24.5° |
| C13 | N1 | C5 | H7 | 143.7° | 144.6° |
| C15 | C14 | N2 | H11 | 120.3° | 120.0° |
| C15 | C14 | N2 | H12 | 120.3° | 120.0° |
| C14 | C15 | C16 | C17 | 179.2° | 179.7° |
| C14 | C15 | C16 | N3 | 180.0° | 179.9° |
| C14 | C15 | C17 | N4 | 179.8° | 180.0° |
| C15 | C14 | H11 | H12 | 119.1° | 120.0° |
| C14 | C15 | C16 | H13 | 0.0° | 0.1° |
| C14 | C15 | C17 | H14 | 0.2° | 0.0° |
| N2 | C14 | C15 | C16 | 107.4° | 90.1° |
| N2 | C14 | C15 | C17 | 73.5° | 90.3° |
| N2 | C14 | H11 | H12 | 119.1° | 120.0° |
| C15 | C16 | N3 | H13 | 180.0° | 180.0° |
| C16 | C15 | C17 | N4 | 0.6° | 0.3° |
| C15 | C16 | N3 | N4 | 0.7° | 0.1° |
| C16 | C15 | C14 | H11 | 12.8° | 150.0° |
| C16 | C15 | C14 | H12 | 132.3° | 29.9° |
| C16 | C15 | C17 | H14 | 179.4° | 179.7° |
| C17 | C15 | C16 | N3 | 0.8° | 0.3° |
| C15 | C17 | N4 | H14 | 180.0° | 180.0° |
| C15 | C17 | N4 | C18 | 179.9° | 179.9° |
| C15 | C17 | N4 | N3 | 0.2° | 0.2° |
| C17 | C15 | C14 | H11 | 166.2° | 29.7° |
| C17 | C15 | C14 | H12 | 46.7° | 149.7° |
| C17 | C15 | C16 | H13 | 179.2° | 179.8° |
| C16 | N3 | N4 | C17 | 0.3° | 0.0° |
| C16 | N3 | N4 | C18 | 179.4° | 179.9° |
| C20 | C19 | C21 | C22 | 110.3° | 107.5° |
| C20 | C19 | C21 | N5 | 106.1° | 107.5° |
| C20 | C19 | C22 | N5 | 144.9° | 145.7° |
| C19 | C20 | C21 | H20 | 109.4° | 107.5° |
| C19 | C20 | C21 | H19 | 109.4° | 107.4° |
| C20 | C19 | N5 | S1 | 84.2° | 87.3° |
| C19 | C20 | H20 | H19 | 144.9° | 145.6° |
| C20 | C19 | C21 | H21 | 109.4° | 107.5° |
| C20 | C19 | C21 | H22 | 109.4° | 107.5° |
| C20 | C19 | C22 | H25 | 180.0° | 52.1° |
| C20 | C19 | C22 | H24 | 60.0° | 172.2° |
| C20 | C19 | C22 | H23 | 60.0° | 67.9° |
| C20 | C19 | N5 | H18 | 38.1° | 36.6° |
| C21 | C19 | C22 | N5 | 144.1° | 145.7° |
| C21 | C19 | N5 | S1 | 152.2° | 155.9° |
| C19 | C21 | H21 | H22 | 144.9° | 145.7° |
| C21 | C19 | C22 | H25 | 109.0° | 120.8° |
| C21 | C19 | C22 | H24 | 11.0° | 119.2° |
| C21 | C19 | C22 | H23 | 131.0° | 0.8° |
| C21 | C19 | N5 | H18 | 29.9° | 32.0° |
| C22 | C19 | N5 | S1 | 62.4° | 58.4° |
| C22 | C19 | C20 | H20 | 141.7° | 144.9° |
| C22 | C19 | C20 | H19 | 0.5° | 0.0° |
| C22 | C19 | C21 | H21 | 0.9° | 0.0° |
| C22 | C19 | C21 | H22 | 140.3° | 145.0° |
| C19 | C22 | H25 | H24 | 120.0° | 120.0° |
| C19 | C22 | H25 | H23 | 120.0° | 120.0° |
| C19 | C22 | H24 | H23 | 120.0° | 119.9° |
| C22 | C19 | N5 | H18 | 175.3° | 177.6° |
| C19 | N5 | S1 | O3 | 176.3° | 34.4° |
| C19 | N5 | S1 | O2 | 47.8° | 55.7° |
| C19 | N5 | S1 | H18 | 122.4° | 124.0° |
| N5 | C19 | C20 | H20 | 2.8° | 0.1° |
| N5 | C19 | C20 | H19 | 143.9° | 145.0° |
| N5 | C19 | C21 | H21 | 144.5° | 145.0° |
| N5 | C19 | C21 | H22 | 3.3° | 0.0° |
| N5 | C19 | C22 | H25 | 35.1° | 93.6° |
| N5 | C19 | C22 | H24 | 155.1° | 26.5° |
| N5 | C19 | C22 | H23 | 84.9° | 146.4° |
| C21 | C20 | H20 | H19 | 144.8° | 145.8° |
| C20 | C21 | H21 | H22 | 144.9° | 145.6° |
| O3 | S1 | O2 | N5 | 119.8° | 90.0° |
| O3 | S1 | O2 | H27 | 56.8° | 180.0° |
| O3 | S1 | N5 | H18 | 53.9° | 89.6° |
| O2 | S1 | O3 | H26 | 55.7° | 172.2° |
| O2 | S1 | N5 | H18 | 74.5° | 179.6° |
| N5 | S1 | O3 | H26 | 66.4° | 67.7° |
| N5 | S1 | O2 | H27 | 62.9° | 90.0° |
| N1 | C6 | C7 | H8 | 1.1° | 0.3° |
| C6 | N1 | C5 | H6 | 159.1° | 155.5° |
| C6 | N1 | C5 | H7 | 40.2° | 35.5° |
| C17 | N4 | C18 | N3 | 179.6° | 179.8° |
| C17 | N4 | C18 | H17 | 179.6° | 90.0° |
| C17 | N4 | C18 | H16 | 60.4° | 150.0° |
| C17 | N4 | C18 | H15 | 59.6° | 30.1° |
| C18 | N4 | C17 | H14 | 0.2° | 0.1° |
| N4 | C18 | H17 | H16 | 120.0° | 120.0° |
| N4 | C18 | H17 | H15 | 120.0° | 120.0° |
| N4 | C18 | H16 | H15 | 120.0° | 119.9° |
| N4 | N3 | C16 | H13 | 179.3° | 179.9° |
| N3 | N4 | C17 | H14 | 179.8° | 179.8° |
| N3 | N4 | C18 | H17 | 0.0° | 90.2° |
| N3 | N4 | C18 | H16 | 120.0° | 29.8° |
| N3 | N4 | C18 | H15 | 120.0° | 149.8° |
| N1 | C5 | H6 | H7 | 118.2° | 120.0° |
| H8 | C7 | C8 | H9 | 0.6° | 0.2° |
| H20 | C20 | C21 | H21 | 141.2° | 145.0° |
| H20 | C20 | C21 | H22 | 0.0° | 0.1° |
| H19 | C20 | C21 | H21 | 0.0° | 0.1° |
| H19 | C20 | C21 | H22 | 141.2° | 145.0° |
| H25 | C22 | H24 | H23 | 120.0° | 120.1° |
| H17 | C18 | H16 | H15 | 120.0° | 120.0° |
| H3 | C4 | H5 | H4 | 120.0° | 120.0° |
| H1 | C | H2 | H | 120.0° | 120.0° |
