D9S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | N | sing | 1.47Å | 1.57Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| N | C | sing | 1.47Å | 1.49Å | |
| N | C8 | sing | 1.47Å | 1.54Å | |
| C8 | C9 | sing | 1.51Å | 1.48Å | |
| C9 | C10 | doub | 1.35Å | 1.34Å | Aromatic |
| C9 | O | sing | 1.34Å | 1.35Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| O | N1 | sing | 1.21Å | 1.42Å | Aromatic |
| C11 | N1 | doub | 1.30Å | 1.30Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C17 | sing | 1.53Å | 1.53Å | |
| C14 | N2 | sing | 1.47Å | 1.49Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| N2 | C15 | sing | 1.47Å | 1.49Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| O1 | C19 | doub | 1.21Å | 1.23Å | |
| C19 | N3 | sing | 1.35Å | 1.37Å | |
| N3 | C20 | sing | 1.39Å | 1.38Å | |
| S | C20 | sing | 1.71Å | 1.73Å | Aromatic |
| S | C22 | sing | 1.76Å | 1.71Å | Aromatic |
| C20 | N4 | doub | 1.30Å | 1.31Å | Aromatic |
| C22 | C21 | doub | 1.33Å | 1.34Å | Aromatic |
| N4 | C21 | sing | 1.32Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | H7 | sing | 1.01Å | 1.00Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C | H26 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 120.2° | 120.0° |
| C4 | C3 | C2 | 120.8° | 120.0° |
| C3 | C4 | H1 | 119.9° | 120.0° |
| C4 | C3 | H31 | 119.6° | 120.0° |
| C4 | C5 | C6 | 119.6° | 120.0° |
| C5 | C4 | H1 | 119.9° | 120.0° |
| C4 | C5 | H2 | 120.2° | 120.0° |
| C3 | C2 | C1 | 120.8° | 120.0° |
| C3 | C2 | C7 | 118.4° | 120.0° |
| C2 | C3 | H31 | 119.6° | 120.0° |
| C5 | C6 | C7 | 120.3° | 120.0° |
| C6 | C5 | H2 | 120.2° | 120.0° |
| C5 | C6 | H3 | 119.9° | 120.0° |
| C1 | C2 | C7 | 120.7° | 120.0° |
| C2 | C1 | N | 110.7° | 109.4° |
| C2 | C1 | H29 | 109.2° | 109.5° |
| C2 | C1 | H30 | 109.2° | 109.5° |
| C2 | C7 | C6 | 120.8° | 120.0° |
| C2 | C7 | H4 | 119.6° | 120.0° |
| C1 | N | C | 111.6° | 111.0° |
| C1 | N | C8 | 109.5° | 111.0° |
| N | C1 | H29 | 109.1° | 109.5° |
| N | C1 | H30 | 109.2° | 109.5° |
| C7 | C6 | H3 | 119.8° | 120.0° |
| C6 | C7 | H4 | 119.6° | 120.1° |
| C | N | C8 | 111.4° | 111.0° |
| N | C | H26 | 109.5° | 109.5° |
| N | C | H27 | 109.5° | 109.5° |
| N | C | H28 | 109.5° | 109.5° |
| N | C8 | C9 | 111.2° | 109.5° |
| N | C8 | H5 | 109.0° | 109.5° |
| N | C8 | H6 | 109.0° | 109.4° |
| C8 | C9 | C10 | 134.7° | 126.8° |
| C8 | C9 | O | 115.7° | 126.8° |
| C9 | C8 | H5 | 109.0° | 109.5° |
| C9 | C8 | H6 | 109.0° | 109.5° |
| C10 | C9 | O | 109.6° | 106.4° |
| C9 | C10 | C11 | 105.2° | 104.0° |
| C9 | C10 | H9 | 127.4° | 128.0° |
| C9 | O | N1 | 108.1° | 111.6° |
| C10 | C11 | N1 | 111.6° | 106.4° |
| C10 | C11 | C12 | 128.6° | 126.9° |
| C11 | C10 | H9 | 127.4° | 128.0° |
| O | N1 | C11 | 105.5° | 111.6° |
| N1 | C11 | C12 | 119.7° | 126.8° |
| C11 | C12 | C13 | 109.7° | 109.5° |
| C11 | C12 | H10 | 109.4° | 109.5° |
| C11 | C12 | H11 | 109.4° | 109.5° |
| C12 | C13 | C14 | 112.9° | 109.5° |
| C12 | C13 | C17 | 114.3° | 109.5° |
| C13 | C12 | H10 | 109.4° | 109.5° |
| C13 | C12 | H11 | 109.4° | 109.4° |
| C12 | C13 | H13 | 107.2° | 109.5° |
| C14 | C13 | C17 | 107.7° | 109.2° |
| C13 | C14 | N2 | 112.2° | 109.5° |
| C14 | C13 | H13 | 107.2° | 109.5° |
| C13 | C14 | H14 | 108.8° | 109.4° |
| C13 | C14 | H15 | 108.8° | 109.5° |
| C13 | C17 | C18 | 114.3° | 109.5° |
| C13 | C17 | C16 | 109.9° | 109.2° |
| C17 | C13 | H13 | 107.1° | 109.5° |
| C13 | C17 | H22 | 107.1° | 109.6° |
| C14 | N2 | C15 | 112.0° | 111.2° |
| C14 | N2 | H7 | 108.8° | 111.0° |
| N2 | C14 | H14 | 108.8° | 109.5° |
| N2 | C14 | H15 | 108.8° | 109.5° |
| C18 | C17 | C16 | 110.8° | 109.5° |
| C17 | C18 | C19 | 109.1° | 109.5° |
| C17 | C18 | H20 | 109.6° | 109.5° |
| C17 | C18 | H21 | 109.6° | 109.5° |
| C18 | C17 | H22 | 107.2° | 109.5° |
| C17 | C16 | C15 | 112.6° | 109.3° |
| C16 | C17 | H22 | 107.2° | 109.6° |
| C17 | C16 | H23 | 108.7° | 109.5° |
| C17 | C16 | H24 | 108.7° | 109.6° |
| N2 | C15 | C16 | 110.5° | 109.5° |
| C15 | N2 | H7 | 108.8° | 111.0° |
| N2 | C15 | H16 | 109.2° | 109.5° |
| N2 | C15 | H17 | 109.2° | 109.5° |
| C18 | C19 | O1 | 121.6° | 120.0° |
| C18 | C19 | N3 | 115.0° | 120.0° |
| C19 | C18 | H20 | 109.5° | 109.4° |
| C19 | C18 | H21 | 109.5° | 109.4° |
| C16 | C15 | H16 | 109.2° | 109.5° |
| C16 | C15 | H17 | 109.2° | 109.5° |
| C15 | C16 | H23 | 108.7° | 109.5° |
| C15 | C16 | H24 | 108.7° | 109.5° |
| O1 | C19 | N3 | 123.4° | 120.0° |
| C19 | N3 | C20 | 124.4° | 120.0° |
| C19 | N3 | H12 | 117.8° | 120.0° |
| N3 | C20 | S | 124.8° | 125.0° |
| N3 | C20 | N4 | 120.3° | 125.0° |
| C20 | N3 | H12 | 117.8° | 120.0° |
| C20 | S | C22 | 89.0° | 90.3° |
| S | C20 | N4 | 114.9° | 110.1° |
| S | C22 | C21 | 110.1° | 108.1° |
| S | C22 | H18 | 125.0° | 125.9° |
| C20 | N4 | C21 | 109.6° | 117.0° |
| C22 | C21 | N4 | 116.5° | 114.6° |
| C21 | C22 | H18 | 124.9° | 126.0° |
| C22 | C21 | H19 | 121.8° | 122.7° |
| N4 | C21 | H19 | 121.8° | 122.7° |
| H5 | C8 | H6 | 109.5° | 109.4° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.4° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.4° |
| H20 | C18 | H21 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H26 | C | H27 | 109.4° | 109.5° |
| H26 | C | H28 | 109.5° | 109.5° |
| H27 | C | H28 | 109.5° | 109.4° |
| H29 | C1 | H30 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C4 | C3 | C2 | H31 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.1° |
| C4 | C3 | C2 | C1 | 176.8° | 180.0° |
| C4 | C3 | C2 | C7 | 0.8° | 0.1° |
| C3 | C4 | C5 | H2 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 0.4° | 0.1° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.5° | 0.1° |
| C4 | C5 | C6 | H3 | 179.5° | 180.0° |
| C5 | C4 | C3 | H31 | 179.6° | 179.9° |
| C3 | C2 | C1 | C7 | 177.5° | 179.9° |
| C3 | C2 | C1 | N | 74.0° | 90.1° |
| C3 | C2 | C7 | C6 | 0.6° | 0.1° |
| C2 | C3 | C4 | H1 | 179.6° | 179.7° |
| C3 | C2 | C7 | H4 | 179.4° | 179.9° |
| C3 | C2 | C1 | H29 | 46.2° | 150.0° |
| C3 | C2 | C1 | H30 | 165.8° | 29.9° |
| C5 | C6 | C7 | C2 | 0.1° | 0.1° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C6 | C5 | C4 | H1 | 179.7° | 179.7° |
| C5 | C6 | C7 | H4 | 179.9° | 180.0° |
| C2 | C1 | N | H29 | 120.2° | 120.0° |
| C2 | C1 | N | H30 | 120.2° | 120.0° |
| C1 | C2 | C7 | C6 | 177.0° | 180.0° |
| C2 | C1 | N | C | 175.1° | 66.0° |
| C2 | C1 | N | C8 | 61.0° | 170.0° |
| C1 | C2 | C7 | H4 | 2.9° | 0.1° |
| C2 | C1 | H29 | H30 | 119.5° | 120.0° |
| C1 | C2 | C3 | H31 | 3.2° | 0.1° |
| C7 | C2 | C1 | N | 108.5° | 90.0° |
| C2 | C7 | C6 | H4 | 180.0° | 180.0° |
| C2 | C7 | C6 | H3 | 179.9° | 180.0° |
| C7 | C2 | C1 | H29 | 131.4° | 29.9° |
| C7 | C2 | C1 | H30 | 11.7° | 150.0° |
| C7 | C2 | C3 | H31 | 179.2° | 180.0° |
| C1 | N | C | C8 | 122.8° | 124.0° |
| C1 | N | C8 | C9 | 160.3° | 170.0° |
| C1 | N | C8 | H5 | 79.4° | 49.9° |
| C1 | N | C8 | H6 | 40.0° | 70.0° |
| C1 | N | C | H26 | 180.0° | 176.1° |
| C1 | N | C | H27 | 60.0° | 56.0° |
| C1 | N | C | H28 | 60.0° | 63.9° |
| N | C1 | H29 | H30 | 119.4° | 120.0° |
| C7 | C6 | C5 | H2 | 179.4° | 180.0° |
| C | N | C8 | C9 | 75.7° | 66.0° |
| C | N | C8 | H5 | 44.6° | 173.9° |
| C | N | C8 | H6 | 164.0° | 54.0° |
| N | C | H26 | H27 | 120.0° | 120.0° |
| N | C | H26 | H28 | 120.0° | 120.0° |
| N | C | H27 | H28 | 120.0° | 120.0° |
| C | N | C1 | H29 | 54.9° | 174.0° |
| C | N | C1 | H30 | 64.7° | 53.9° |
| N | C8 | C9 | H5 | 120.3° | 120.0° |
| N | C8 | C9 | H6 | 120.3° | 120.0° |
| N | C8 | C9 | C10 | 97.3° | 90.0° |
| N | C8 | C9 | O | 83.7° | 89.9° |
| N | C8 | H5 | H6 | 119.2° | 119.9° |
| C8 | N | C | H26 | 57.2° | 60.0° |
| C8 | N | C | H27 | 177.2° | 180.0° |
| C8 | N | C | H28 | 62.8° | 60.1° |
| C8 | N | C1 | H29 | 178.8° | 50.0° |
| C8 | N | C1 | H30 | 59.2° | 70.0° |
| C8 | C9 | C10 | O | 179.0° | 179.9° |
| C8 | C9 | C10 | C11 | 178.7° | 179.9° |
| C8 | C9 | O | N1 | 178.9° | 179.9° |
| C9 | C8 | H5 | H6 | 119.2° | 120.0° |
| C8 | C9 | C10 | H9 | 1.4° | 0.0° |
| C9 | C10 | C11 | H9 | 180.0° | 179.9° |
| C10 | C9 | O | N1 | 0.3° | 0.0° |
| C9 | C10 | C11 | N1 | 0.2° | 0.0° |
| C9 | C10 | C11 | C12 | 179.8° | 180.0° |
| C10 | C9 | C8 | H5 | 142.4° | 150.0° |
| C10 | C9 | C8 | H6 | 22.9° | 30.1° |
| O | C9 | C10 | C11 | 0.3° | 0.0° |
| C9 | O | N1 | C11 | 0.2° | 0.0° |
| O | C9 | C8 | H5 | 36.5° | 30.1° |
| O | C9 | C8 | H6 | 156.0° | 150.1° |
| O | C9 | C10 | H9 | 179.7° | 179.9° |
| C10 | C11 | N1 | O | 0.0° | 0.0° |
| C10 | C11 | N1 | C12 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 64.3° | 125.0° |
| C10 | C11 | C12 | H10 | 55.7° | 115.0° |
| C10 | C11 | C12 | H11 | 175.7° | 5.0° |
| O | N1 | C11 | C12 | 180.0° | 180.0° |
| N1 | C11 | C12 | C13 | 115.7° | 55.0° |
| N1 | C11 | C10 | H9 | 179.8° | 179.9° |
| N1 | C11 | C12 | H10 | 124.3° | 65.1° |
| N1 | C11 | C12 | H11 | 4.3° | 174.9° |
| C11 | C12 | C13 | H10 | 120.0° | 120.1° |
| C11 | C12 | C13 | H11 | 120.0° | 120.0° |
| C11 | C12 | C13 | C14 | 178.6° | 65.1° |
| C11 | C12 | C13 | C17 | 55.1° | 175.2° |
| C12 | C11 | C10 | H9 | 0.2° | 0.1° |
| C11 | C12 | H10 | H11 | 119.9° | 120.0° |
| C11 | C12 | C13 | H13 | 63.5° | 55.1° |
| C12 | C13 | C14 | C17 | 127.1° | 120.0° |
| C12 | C13 | C14 | H13 | 117.9° | 120.1° |
| C12 | C13 | C17 | H13 | 118.6° | 120.1° |
| C12 | C13 | C14 | N2 | 173.8° | 60.7° |
| C12 | C13 | C17 | C18 | 58.3° | 57.6° |
| C12 | C13 | C17 | C16 | 176.4° | 62.2° |
| C13 | C12 | H10 | H11 | 119.9° | 120.0° |
| C12 | C13 | C14 | H14 | 53.4° | 59.3° |
| C12 | C13 | C14 | H15 | 65.8° | 179.2° |
| C12 | C13 | C17 | H22 | 60.2° | 177.8° |
| C14 | C13 | C17 | H13 | 115.1° | 119.9° |
| C13 | C14 | N2 | H14 | 120.4° | 120.0° |
| C13 | C14 | N2 | H15 | 120.4° | 120.0° |
| C14 | C13 | C17 | C18 | 68.0° | 177.5° |
| C14 | C13 | C17 | C16 | 57.3° | 57.7° |
| C13 | C14 | N2 | C15 | 58.4° | 61.8° |
| C13 | C14 | N2 | H7 | 62.0° | 174.1° |
| C14 | C13 | C12 | H10 | 61.3° | 55.0° |
| C14 | C13 | C12 | H11 | 58.6° | 175.0° |
| C13 | C14 | H14 | H15 | 118.8° | 120.0° |
| C14 | C13 | C17 | H22 | 173.4° | 62.3° |
| C17 | C13 | C14 | N2 | 59.1° | 59.2° |
| C13 | C17 | C18 | C16 | 124.8° | 119.7° |
| C13 | C17 | C18 | H22 | 118.5° | 120.2° |
| C13 | C17 | C16 | H22 | 116.1° | 120.0° |
| C13 | C17 | C18 | C19 | 157.7° | 175.0° |
| C13 | C17 | C16 | C15 | 56.6° | 57.7° |
| C17 | C13 | C12 | H10 | 175.1° | 64.8° |
| C17 | C13 | C12 | H11 | 64.9° | 55.2° |
| C17 | C13 | C14 | H14 | 179.5° | 179.2° |
| C17 | C13 | C14 | H15 | 61.3° | 60.8° |
| C13 | C17 | C18 | H20 | 82.4° | 55.0° |
| C13 | C17 | C18 | H21 | 37.8° | 65.0° |
| C13 | C17 | C16 | H23 | 177.1° | 177.6° |
| C13 | C17 | C16 | H24 | 63.9° | 62.2° |
| C14 | N2 | C15 | H7 | 120.4° | 124.1° |
| C14 | N2 | C15 | C16 | 53.8° | 61.8° |
| N2 | C14 | C13 | H13 | 55.9° | 179.1° |
| N2 | C14 | H14 | H15 | 118.7° | 120.0° |
| C14 | N2 | C15 | H16 | 173.9° | 58.3° |
| C14 | N2 | C15 | H17 | 66.3° | 178.2° |
| C18 | C17 | C16 | H22 | 116.6° | 120.1° |
| C17 | C18 | C19 | H20 | 119.9° | 120.0° |
| C17 | C18 | C19 | H21 | 119.9° | 120.0° |
| C18 | C17 | C16 | C15 | 70.7° | 177.5° |
| C17 | C18 | C19 | O1 | 26.6° | 0.0° |
| C17 | C18 | C19 | N3 | 154.4° | 179.9° |
| C18 | C17 | C13 | H13 | 176.9° | 62.5° |
| C17 | C18 | H20 | H21 | 120.2° | 120.1° |
| C18 | C17 | C16 | H23 | 49.8° | 62.5° |
| C18 | C17 | C16 | H24 | 168.8° | 57.6° |
| C17 | C16 | C15 | N2 | 53.7° | 59.1° |
| C16 | C17 | C18 | C19 | 77.5° | 65.3° |
| C17 | C16 | C15 | H23 | 120.5° | 120.0° |
| C17 | C16 | C15 | H24 | 120.5° | 120.0° |
| C16 | C17 | C13 | H13 | 57.8° | 177.6° |
| C17 | C16 | C15 | H16 | 173.9° | 60.9° |
| C17 | C16 | C15 | H17 | 66.4° | 179.2° |
| C16 | C17 | C18 | H20 | 42.4° | 174.7° |
| C16 | C17 | C18 | H21 | 162.6° | 54.7° |
| C17 | C16 | H23 | H24 | 118.5° | 120.2° |
| N2 | C15 | C16 | H16 | 120.1° | 120.0° |
| N2 | C15 | C16 | H17 | 120.2° | 120.0° |
| C15 | N2 | C14 | H14 | 178.8° | 178.3° |
| C15 | N2 | C14 | H15 | 62.1° | 58.3° |
| N2 | C15 | H16 | H17 | 119.5° | 119.9° |
| N2 | C15 | C16 | H23 | 174.2° | 179.1° |
| N2 | C15 | C16 | H24 | 66.8° | 60.8° |
| C18 | C19 | O1 | N3 | 179.0° | 179.9° |
| C18 | C19 | N3 | C20 | 179.5° | 180.0° |
| C18 | C19 | N3 | H12 | 0.5° | 0.1° |
| C19 | C18 | H20 | H21 | 120.2° | 119.9° |
| C19 | C18 | C17 | H22 | 39.2° | 54.8° |
| C16 | C15 | N2 | H7 | 66.6° | 174.2° |
| C16 | C15 | H16 | H17 | 119.5° | 120.0° |
| C15 | C16 | C17 | H22 | 172.7° | 62.3° |
| C15 | C16 | H23 | H24 | 118.6° | 120.0° |
| O1 | C19 | N3 | C20 | 0.5° | 0.1° |
| O1 | C19 | N3 | H12 | 179.5° | 180.0° |
| O1 | C19 | C18 | H20 | 146.5° | 120.0° |
| O1 | C19 | C18 | H21 | 93.4° | 120.0° |
| C19 | N3 | C20 | H12 | 180.0° | 179.9° |
| C19 | N3 | C20 | S | 4.5° | 0.0° |
| C19 | N3 | C20 | N4 | 175.2° | 180.0° |
| N3 | C19 | C18 | H20 | 34.5° | 59.9° |
| N3 | C19 | C18 | H21 | 85.7° | 60.0° |
| N3 | C20 | S | N4 | 179.7° | 180.0° |
| N3 | C20 | S | C22 | 179.5° | 180.0° |
| N3 | C20 | N4 | C21 | 179.5° | 180.0° |
| C20 | S | C22 | C21 | 0.2° | 0.0° |
| S | C20 | N4 | C21 | 0.2° | 0.0° |
| S | C20 | N3 | H12 | 175.5° | 180.0° |
| C20 | S | C22 | H18 | 179.8° | 179.9° |
| C22 | S | C20 | N4 | 0.2° | 0.0° |
| S | C22 | C21 | H18 | 180.0° | 179.9° |
| S | C22 | C21 | N4 | 0.0° | 0.0° |
| S | C22 | C21 | H19 | 180.0° | 180.0° |
| C20 | N4 | C21 | C22 | 0.1° | 0.0° |
| N4 | C20 | N3 | H12 | 4.8° | 0.0° |
| C20 | N4 | C21 | H19 | 179.8° | 180.0° |
| C22 | C21 | N4 | H19 | 180.0° | 180.0° |
| N4 | C21 | C22 | H18 | 179.9° | 179.9° |
| H1 | C4 | C5 | H2 | 0.3° | 0.2° |
| H1 | C4 | C3 | H31 | 0.4° | 0.2° |
| H2 | C5 | C6 | H3 | 0.5° | 0.1° |
| H3 | C6 | C7 | H4 | 0.1° | 0.0° |
| H7 | N2 | C14 | H14 | 58.4° | 54.1° |
| H7 | N2 | C14 | H15 | 177.5° | 65.9° |
| H7 | N2 | C15 | H16 | 53.5° | 65.8° |
| H7 | N2 | C15 | H17 | 173.3° | 54.1° |
| H10 | C12 | C13 | H13 | 56.6° | 175.1° |
| H11 | C12 | C13 | H13 | 176.5° | 64.9° |
| H13 | C13 | C14 | H14 | 64.5° | 60.9° |
| H13 | C13 | C14 | H15 | 176.3° | 59.1° |
| H13 | C13 | C17 | H22 | 58.4° | 57.6° |
| H16 | C15 | C16 | H23 | 65.7° | 59.1° |
| H16 | C15 | C16 | H24 | 53.4° | 179.2° |
| H17 | C15 | C16 | H23 | 54.0° | 60.8° |
| H17 | C15 | C16 | H24 | 173.1° | 59.2° |
| H18 | C22 | C21 | H19 | 0.0° | 0.1° |
| H20 | C18 | C17 | H22 | 159.1° | 65.1° |
| H21 | C18 | C17 | H22 | 80.7° | 174.8° |
| H22 | C17 | C16 | H23 | 66.8° | 57.6° |
| H22 | C17 | C16 | H24 | 52.2° | 177.8° |
| H26 | C | H27 | H28 | 120.0° | 120.0° |
