6WJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N | doub | 1.29Å | 1.32Å | Aromatic |
| C1 | S | sing | 1.71Å | 1.74Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.34Å | 1.36Å | Aromatic |
| C2 | N | sing | 1.32Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | S | sing | 1.76Å | 1.70Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | S1 | sing | 1.81Å | 1.76Å | |
| C9 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C6 | doub | 1.41Å | 1.42Å | Aromatic |
| C11 | N2 | sing | 1.39Å | 1.43Å | Aromatic |
| C12 | N2 | sing | 1.34Å | 1.38Å | Aromatic |
| C12 | O1 | doub | 1.22Å | 1.20Å | |
| C12 | N1 | sing | 1.34Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | N2 | sing | 1.47Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.49Å | |
| C14 | C16 | sing | 1.53Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.49Å | |
| C19 | C17 | sing | 1.53Å | 1.50Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C20 | C17 | sing | 1.53Å | 1.52Å | |
| O3 | S1 | sing | 1.66Å | 1.43Å | |
| S1 | O2 | sing | 1.66Å | 1.43Å | |
| S1 | N3 | sing | 1.75Å | 1.63Å | |
| N3 | C17 | sing | 1.47Å | 1.49Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C6 | C5 | sing | 1.47Å | 1.47Å | Aromatic |
| C5 | O | doub | 1.22Å | 1.21Å | |
| C5 | N1 | sing | 1.35Å | 1.40Å | Aromatic |
| N1 | C4 | sing | 1.46Å | 1.46Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| O3 | H24 | sing | 0.97Å | 0.95Å | |
| O2 | H25 | sing | 0.97Å | 0.95Å | |
| N3 | H16 | sing | 1.01Å | 1.00Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | 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) |
| N | C1 | S | 113.3° | 110.2° |
| N | C1 | C | 127.3° | 124.9° |
| C1 | N | C2 | 109.8° | 117.1° |
| S | C1 | C | 119.5° | 124.9° |
| C1 | S | C3 | 91.0° | 90.3° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C | H | 109.5° | 109.5° |
| C3 | C2 | N | 117.0° | 114.5° |
| C2 | C3 | C4 | 128.1° | 126.1° |
| C2 | C3 | S | 108.9° | 107.9° |
| C3 | C2 | H3 | 121.5° | 122.7° |
| N | C2 | H3 | 121.5° | 122.7° |
| C4 | C3 | S | 123.0° | 126.1° |
| C3 | C4 | N1 | 112.1° | 109.4° |
| C3 | C4 | H4 | 108.8° | 109.4° |
| C3 | C4 | H5 | 108.8° | 109.5° |
| C8 | C7 | C6 | 119.7° | 119.5° |
| C7 | C8 | C9 | 120.6° | 120.4° |
| C7 | C8 | S1 | 119.8° | 119.8° |
| C8 | C7 | H6 | 120.1° | 120.2° |
| C7 | C6 | C11 | 120.4° | 120.0° |
| C7 | C6 | C5 | 118.7° | 121.8° |
| C6 | C7 | H6 | 120.1° | 120.2° |
| C9 | C8 | S1 | 119.6° | 119.8° |
| C8 | C9 | C10 | 119.5° | 120.7° |
| C8 | C9 | H7 | 120.3° | 119.7° |
| C8 | S1 | O3 | 107.0° | 180.0° |
| C8 | S1 | O2 | 108.6° | 90.0° |
| C8 | S1 | N3 | 106.2° | 90.0° |
| C9 | C10 | C11 | 121.9° | 119.7° |
| C10 | C9 | H7 | 120.3° | 119.6° |
| C9 | C10 | H8 | 119.0° | 120.2° |
| C10 | C11 | C6 | 117.8° | 119.7° |
| C10 | C11 | N2 | 123.4° | 121.6° |
| C11 | C10 | H8 | 119.0° | 120.1° |
| C6 | C11 | N2 | 118.7° | 118.7° |
| C11 | C6 | C5 | 120.9° | 118.2° |
| C11 | N2 | C12 | 122.4° | 120.7° |
| C11 | N2 | C13 | 119.4° | 119.7° |
| N2 | C12 | O1 | 122.0° | 118.6° |
| N2 | C12 | N1 | 117.4° | 122.8° |
| C12 | N2 | C13 | 118.1° | 119.7° |
| O1 | C12 | N1 | 120.6° | 118.6° |
| C12 | N1 | C5 | 125.0° | 121.3° |
| C12 | N1 | C4 | 118.2° | 119.4° |
| C14 | C13 | N2 | 113.4° | 109.4° |
| C13 | C14 | C15 | 118.5° | 117.5° |
| C13 | C14 | C16 | 118.5° | 117.5° |
| C14 | C13 | H9 | 108.5° | 109.5° |
| C14 | C13 | H10 | 108.5° | 109.5° |
| C13 | C14 | H11 | 115.8° | 115.5° |
| N2 | C13 | H9 | 108.5° | 109.5° |
| N2 | C13 | H10 | 108.5° | 109.5° |
| C15 | C14 | C16 | 59.9° | 60.0° |
| C14 | C15 | C16 | 60.3° | 60.0° |
| C15 | C14 | H11 | 116.4° | 117.5° |
| C14 | C15 | H13 | 119.9° | 117.5° |
| C14 | C15 | H12 | 119.9° | 117.5° |
| C14 | C16 | C15 | 59.8° | 60.0° |
| C16 | C14 | H11 | 116.2° | 117.6° |
| C14 | C16 | H14 | 120.0° | 117.4° |
| C14 | C16 | H15 | 120.0° | 117.5° |
| C16 | C15 | H13 | 119.9° | 117.4° |
| C16 | C15 | H12 | 119.9° | 117.5° |
| C15 | C16 | H14 | 120.0° | 117.5° |
| C15 | C16 | H15 | 120.0° | 117.5° |
| C17 | C19 | C18 | 59.8° | 60.0° |
| C19 | C17 | C20 | 120.1° | 117.5° |
| C19 | C17 | N3 | 115.6° | 117.4° |
| C19 | C17 | C18 | 60.5° | 60.0° |
| C17 | C19 | H19 | 120.0° | 117.5° |
| C17 | C19 | H20 | 120.1° | 117.5° |
| C19 | C18 | C17 | 59.7° | 60.0° |
| C18 | C19 | H19 | 120.0° | 117.5° |
| C18 | C19 | H20 | 120.1° | 117.5° |
| C19 | C18 | H18 | 120.1° | 117.5° |
| C19 | C18 | H17 | 120.1° | 117.5° |
| C20 | C17 | N3 | 114.4° | 115.6° |
| C20 | C17 | C18 | 119.5° | 117.5° |
| C17 | C20 | H23 | 109.5° | 109.5° |
| C17 | C20 | H22 | 109.5° | 109.5° |
| C17 | C20 | H21 | 109.5° | 109.5° |
| O3 | S1 | O2 | 118.5° | 90.0° |
| O3 | S1 | N3 | 107.5° | 90.0° |
| S1 | O3 | H24 | 109.5° | 114.0° |
| O2 | S1 | N3 | 108.5° | 120.0° |
| S1 | O2 | H25 | 109.5° | 114.0° |
| S1 | N3 | C17 | 127.1° | 111.0° |
| S1 | N3 | H16 | 104.9° | 111.0° |
| N3 | C17 | C18 | 116.5° | 117.5° |
| C17 | N3 | H16 | 104.9° | 110.9° |
| C17 | C18 | H18 | 120.1° | 117.5° |
| C17 | C18 | H17 | 120.1° | 117.5° |
| C6 | C5 | O | 126.0° | 120.8° |
| C6 | C5 | N1 | 115.5° | 118.3° |
| O | C5 | N1 | 118.5° | 120.9° |
| C5 | N1 | C4 | 116.7° | 119.4° |
| N1 | C4 | H4 | 108.8° | 109.5° |
| N1 | C4 | H5 | 108.8° | 109.4° |
| H9 | C13 | H10 | 109.4° | 109.5° |
| H13 | C15 | H12 | 109.5° | 115.6° |
| H14 | C16 | H15 | 109.5° | 115.5° |
| H19 | C19 | H20 | 109.4° | 115.6° |
| H23 | C20 | H22 | 109.5° | 109.4° |
| H23 | C20 | H21 | 109.4° | 109.4° |
| H22 | C20 | H21 | 109.4° | 109.5° |
| H18 | C18 | H17 | 109.4° | 115.6° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H1 | C | H2 | 109.5° | 109.5° |
| H1 | C | H | 109.5° | 109.5° |
| H2 | C | H | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C1 | S | C | 179.6° | 179.7° |
| C1 | N | C2 | C3 | 0.5° | 0.0° |
| N | C1 | S | C3 | 0.6° | 0.0° |
| C1 | N | C2 | H3 | 179.5° | 180.0° |
| N | C1 | C | H1 | 0.0° | 90.0° |
| N | C1 | C | H2 | 120.0° | 150.0° |
| N | C1 | C | H | 120.0° | 30.0° |
| C1 | S | C3 | C2 | 0.3° | 0.0° |
| S | C1 | N | C2 | 0.7° | 0.0° |
| C1 | S | C3 | C4 | 179.0° | 180.0° |
| S | C1 | C | H1 | 179.5° | 90.3° |
| S | C1 | C | H2 | 59.5° | 29.7° |
| S | C1 | C | H | 60.4° | 149.7° |
| C | C1 | N | C2 | 179.7° | 179.7° |
| C | C1 | S | C3 | 179.7° | 179.7° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H | 120.0° | 120.0° |
| C1 | C | H2 | H | 120.0° | 120.0° |
| C3 | C2 | N | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | S | 178.4° | 179.9° |
| C2 | C3 | C4 | N1 | 106.6° | 90.1° |
| C2 | C3 | C4 | H4 | 13.8° | 150.0° |
| C2 | C3 | C4 | H5 | 133.0° | 29.9° |
| N | C2 | C3 | C4 | 178.6° | 179.9° |
| N | C2 | C3 | S | 0.0° | 0.0° |
| C3 | C4 | N1 | C12 | 84.5° | 90.0° |
| C3 | C4 | N1 | C5 | 92.1° | 90.0° |
| C3 | C4 | N1 | H4 | 120.4° | 119.9° |
| C3 | C4 | N1 | H5 | 120.4° | 120.1° |
| C4 | C3 | C2 | H3 | 1.4° | 0.1° |
| C3 | C4 | H4 | H5 | 118.8° | 120.1° |
| S | C3 | C4 | N1 | 71.8° | 90.0° |
| S | C3 | C2 | H3 | 180.0° | 180.0° |
| S | C3 | C4 | H4 | 167.8° | 29.9° |
| S | C3 | C4 | H5 | 48.6° | 150.0° |
| C8 | C7 | C6 | H6 | 180.0° | 179.7° |
| C7 | C8 | C9 | S1 | 177.3° | 180.0° |
| C7 | C8 | C9 | C10 | 2.3° | 0.0° |
| C8 | C7 | C6 | C11 | 2.3° | 0.0° |
| C7 | C8 | S1 | O3 | 121.4° | 3.4° |
| C7 | C8 | S1 | O2 | 7.6° | 54.2° |
| C7 | C8 | S1 | N3 | 124.0° | 174.2° |
| C8 | C7 | C6 | C5 | 179.1° | 180.0° |
| C7 | C8 | C9 | H7 | 177.7° | 180.0° |
| C6 | C7 | C8 | C9 | 3.2° | 0.0° |
| C6 | C7 | C8 | S1 | 179.5° | 180.0° |
| C7 | C6 | C11 | C10 | 0.6° | 0.0° |
| C7 | C6 | C11 | C5 | 178.6° | 180.0° |
| C7 | C6 | C11 | N2 | 179.8° | 179.9° |
| C7 | C6 | C5 | O | 0.3° | 0.1° |
| C7 | C6 | C5 | N1 | 178.5° | 180.0° |
| C8 | C9 | C10 | H7 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.6° | 0.0° |
| C9 | C8 | S1 | O3 | 61.3° | 176.6° |
| C9 | C8 | S1 | O2 | 169.8° | 125.8° |
| C9 | C8 | S1 | N3 | 53.3° | 5.8° |
| C9 | C8 | C7 | H6 | 176.8° | 179.7° |
| C8 | C9 | C10 | H8 | 179.4° | 180.0° |
| S1 | C8 | C9 | C10 | 179.6° | 180.0° |
| C8 | S1 | O3 | O2 | 123.0° | 50.8° |
| C8 | S1 | O3 | N3 | 113.7° | 170.8° |
| C8 | S1 | O2 | N3 | 115.0° | 90.0° |
| C8 | S1 | N3 | C17 | 69.6° | 171.2° |
| S1 | C8 | C7 | H6 | 0.5° | 0.3° |
| S1 | C8 | C9 | H7 | 0.4° | 0.1° |
| C8 | S1 | O3 | H24 | 180.0° | 75.5° |
| C8 | S1 | O2 | H25 | 180.0° | 0.0° |
| C8 | S1 | N3 | H16 | 52.7° | 47.4° |
| C9 | C10 | C11 | H8 | 180.0° | 179.9° |
| C9 | C10 | C11 | C6 | 0.2° | 0.1° |
| C9 | C10 | C11 | N2 | 179.3° | 180.0° |
| C10 | C11 | C6 | N2 | 179.6° | 179.9° |
| C10 | C11 | N2 | C12 | 179.5° | 180.0° |
| C10 | C11 | N2 | C13 | 1.1° | 0.1° |
| C10 | C11 | C6 | C5 | 179.2° | 179.9° |
| C11 | C10 | C9 | H7 | 179.4° | 180.0° |
| C6 | C11 | N2 | C12 | 1.0° | 0.1° |
| C6 | C11 | N2 | C13 | 179.4° | 180.0° |
| C11 | C6 | C5 | O | 178.9° | 180.0° |
| C11 | C6 | C5 | N1 | 0.1° | 0.0° |
| C11 | C6 | C7 | H6 | 177.7° | 179.7° |
| C6 | C11 | C10 | H8 | 179.8° | 180.0° |
| C11 | N2 | C12 | C13 | 178.5° | 179.9° |
| C11 | N2 | C12 | O1 | 178.9° | 180.0° |
| C11 | N2 | C12 | N1 | 0.7° | 0.1° |
| C11 | N2 | C13 | C14 | 72.7° | 90.1° |
| N2 | C11 | C6 | C5 | 1.2° | 0.0° |
| N2 | C11 | C10 | H8 | 0.7° | 0.1° |
| C11 | N2 | C13 | H9 | 166.7° | 30.0° |
| C11 | N2 | C13 | H10 | 47.9° | 149.9° |
| N2 | C12 | O1 | N1 | 178.1° | 179.9° |
| C12 | N2 | C13 | C14 | 108.8° | 90.1° |
| N2 | C12 | N1 | C5 | 2.3° | 0.1° |
| N2 | C12 | N1 | C4 | 178.6° | 180.0° |
| C12 | N2 | C13 | H9 | 11.8° | 149.9° |
| C12 | N2 | C13 | H10 | 130.6° | 30.0° |
| O1 | C12 | N2 | C13 | 0.4° | 0.1° |
| O1 | C12 | N1 | C5 | 179.5° | 180.0° |
| O1 | C12 | N1 | C4 | 3.2° | 0.1° |
| N1 | C12 | N2 | C13 | 177.7° | 180.0° |
| C12 | N1 | C5 | C6 | 2.0° | 0.0° |
| C12 | N1 | C5 | O | 179.1° | 179.9° |
| C12 | N1 | C5 | C4 | 176.4° | 180.0° |
| C12 | N1 | C4 | H4 | 155.1° | 29.9° |
| C12 | N1 | C4 | H5 | 35.9° | 149.9° |
| C14 | C13 | N2 | H9 | 120.6° | 120.0° |
| C14 | C13 | N2 | H10 | 120.6° | 120.0° |
| C13 | C14 | C15 | C16 | 108.3° | 107.5° |
| C13 | C14 | C15 | H11 | 145.3° | 145.0° |
| C13 | C14 | C16 | H11 | 145.1° | 145.0° |
| C14 | C13 | H9 | H10 | 118.2° | 120.1° |
| C13 | C14 | C15 | H13 | 1.3° | 0.1° |
| C13 | C14 | C15 | H12 | 142.2° | 145.1° |
| C13 | C14 | C16 | H14 | 142.3° | 145.0° |
| C13 | C14 | C16 | H15 | 1.2° | 0.1° |
| N2 | C13 | C14 | C15 | 63.0° | 175.0° |
| N2 | C13 | C14 | C16 | 132.3° | 116.4° |
| N2 | C13 | H9 | H10 | 118.2° | 120.0° |
| N2 | C13 | C14 | H11 | 82.5° | 29.3° |
| C15 | C14 | C16 | H11 | 106.7° | 107.5° |
| C14 | C15 | C16 | H13 | 109.6° | 107.5° |
| C14 | C15 | C16 | H12 | 109.5° | 107.5° |
| C15 | C14 | C13 | H9 | 57.5° | 55.0° |
| C15 | C14 | C13 | H10 | 176.4° | 65.0° |
| C14 | C15 | H13 | H12 | 144.6° | 145.8° |
| C15 | C14 | C16 | H14 | 109.4° | 107.5° |
| C15 | C14 | C16 | H15 | 109.4° | 107.5° |
| C16 | C14 | C13 | H9 | 11.7° | 123.6° |
| C16 | C14 | C13 | H10 | 107.1° | 3.6° |
| C14 | C16 | H14 | H15 | 144.8° | 145.7° |
| C16 | C15 | H13 | H12 | 144.5° | 145.7° |
| C15 | C16 | H14 | H15 | 144.9° | 145.7° |
| C17 | C19 | C18 | H19 | 109.4° | 107.5° |
| C17 | C19 | C18 | H20 | 109.4° | 107.5° |
| C19 | C17 | C20 | N3 | 144.1° | 145.6° |
| C19 | C17 | C20 | C18 | 70.9° | 68.6° |
| C19 | C17 | N3 | S1 | 83.7° | 67.4° |
| C19 | C17 | N3 | C18 | 68.2° | 68.6° |
| C17 | C19 | H19 | H20 | 144.9° | 145.7° |
| C19 | C17 | C20 | H23 | 180.0° | 47.0° |
| C19 | C17 | C20 | H22 | 60.0° | 166.9° |
| C19 | C17 | C20 | H21 | 60.0° | 73.0° |
| C19 | C17 | N3 | H16 | 153.9° | 168.7° |
| C17 | C19 | C18 | H18 | 109.4° | 107.5° |
| C17 | C19 | C18 | H17 | 109.4° | 107.5° |
| C18 | C19 | H19 | H20 | 144.8° | 145.7° |
| C19 | C18 | H18 | H17 | 144.9° | 145.7° |
| C20 | C17 | N3 | S1 | 62.0° | 78.3° |
| C20 | C17 | N3 | C18 | 146.1° | 145.8° |
| C20 | C17 | C19 | H19 | 141.6° | 145.0° |
| C20 | C17 | C19 | H20 | 0.4° | 0.0° |
| C17 | C20 | H23 | H22 | 120.0° | 120.0° |
| C17 | C20 | H23 | H21 | 120.0° | 120.1° |
| C17 | C20 | H22 | H21 | 120.0° | 120.1° |
| C20 | C17 | N3 | H16 | 60.3° | 45.6° |
| C20 | C17 | C18 | H18 | 140.6° | 145.0° |
| C20 | C17 | C18 | H17 | 0.5° | 0.1° |
| O3 | S1 | O2 | N3 | 122.8° | 90.0° |
| O3 | S1 | N3 | C17 | 176.2° | 8.7° |
| O3 | S1 | O2 | H25 | 57.8° | 180.0° |
| O3 | S1 | N3 | H16 | 61.5° | 132.6° |
| O2 | S1 | N3 | C17 | 46.9° | 81.3° |
| O2 | S1 | O3 | H24 | 57.0° | 126.3° |
| O2 | S1 | N3 | H16 | 169.2° | 42.6° |
| S1 | N3 | C17 | H16 | 122.4° | 123.9° |
| S1 | N3 | C17 | C18 | 151.9° | 136.0° |
| N3 | S1 | O3 | H24 | 66.3° | 113.7° |
| N3 | S1 | O2 | H25 | 65.0° | 90.0° |
| N3 | C17 | C19 | H19 | 2.1° | 0.1° |
| N3 | C17 | C19 | H20 | 143.3° | 145.0° |
| N3 | C17 | C20 | H23 | 35.9° | 98.6° |
| N3 | C17 | C20 | H22 | 155.9° | 21.3° |
| N3 | C17 | C20 | H21 | 84.1° | 141.4° |
| N3 | C17 | C18 | H18 | 3.6° | 0.1° |
| N3 | C17 | C18 | H17 | 144.8° | 145.1° |
| C18 | C17 | C20 | H23 | 109.1° | 115.6° |
| C18 | C17 | C20 | H22 | 11.0° | 124.5° |
| C18 | C17 | C20 | H21 | 130.9° | 4.4° |
| C18 | C17 | N3 | H16 | 85.7° | 100.1° |
| C17 | C18 | H18 | H17 | 144.9° | 145.6° |
| C6 | C5 | O | N1 | 178.8° | 179.9° |
| C6 | C5 | N1 | C4 | 178.4° | 180.0° |
| C5 | C6 | C7 | H6 | 0.9° | 0.3° |
| O | C5 | N1 | C4 | 2.7° | 0.0° |
| C5 | N1 | C4 | H4 | 28.3° | 150.0° |
| C5 | N1 | C4 | H5 | 147.5° | 30.0° |
| N1 | C4 | H4 | H5 | 118.8° | 120.0° |
| H7 | C9 | C10 | H8 | 0.6° | 0.1° |
| H9 | C13 | C14 | H11 | 157.0° | 90.6° |
| H10 | C13 | C14 | H11 | 38.1° | 149.3° |
| H11 | C14 | C15 | H13 | 144.0° | 145.0° |
| H11 | C14 | C15 | H12 | 3.1° | 0.1° |
| H11 | C14 | C16 | H14 | 2.8° | 0.0° |
| H11 | C14 | C16 | H15 | 143.9° | 145.0° |
| H13 | C15 | C16 | H14 | 141.1° | 145.1° |
| H13 | C15 | C16 | H15 | 0.2° | 0.0° |
| H12 | C15 | C16 | H14 | 0.2° | 0.0° |
| H12 | C15 | C16 | H15 | 141.1° | 145.0° |
| H19 | C19 | C18 | H18 | 0.0° | 0.0° |
| H19 | C19 | C18 | H17 | 141.2° | 145.1° |
| H20 | C19 | C18 | H18 | 141.1° | 145.0° |
| H20 | C19 | C18 | H17 | 0.0° | 0.0° |
| H23 | C20 | H22 | H21 | 120.0° | 119.9° |
| H1 | C | H2 | H | 120.0° | 120.0° |
