033
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.37Å | 1.44Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.44Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.40Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.41Å | 1.43Å | Aromatic |
| C3 | C11 | sing | 1.46Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.45Å | Aromatic |
| C4 | O13 | sing | 1.35Å | 1.34Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.44Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.55Å | |
| C7 | C41 | sing | 1.53Å | 1.54Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | doub | 1.36Å | 1.44Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | O13 | sing | 1.35Å | 1.38Å | Aromatic |
| C12 | C14 | sing | 1.47Å | 1.41Å | |
| C14 | N15 | sing | 1.35Å | 1.39Å | |
| C14 | O17 | doub | 1.22Å | 1.25Å | |
| N15 | C16 | sing | 1.40Å | 1.39Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å | |
| C16 | C18 | sing | 1.39Å | 1.43Å | Aromatic |
| C16 | C22 | doub | 1.39Å | 1.44Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.39Å | 1.44Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | doub | 1.39Å | 1.44Å | Aromatic |
| C20 | C27 | sing | 1.48Å | 1.52Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.43Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | sing | 1.39Å | 1.45Å | Aromatic |
| C27 | C32 | doub | 1.39Å | 1.44Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.44Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.38Å | 1.44Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | doub | 1.38Å | 1.43Å | Aromatic |
| C30 | S37 | sing | 1.76Å | 1.80Å | |
| C31 | C32 | sing | 1.38Å | 1.43Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| S37 | N38 | sing | 1.66Å | 1.74Å | |
| S37 | O39 | doub | 1.42Å | 1.43Å | |
| S37 | O40 | doub | 1.42Å | 1.43Å | |
| N38 | C41 | sing | 1.46Å | 1.49Å | |
| N38 | H38 | sing | 0.97Å | 1.00Å | |
| C41 | C42 | sing | 1.51Å | 1.52Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C42 | O45 | doub | 1.21Å | 1.24Å | |
| C42 | O50 | sing | 1.34Å | 1.23Å | |
| O50 | H50 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.6° | 120.5° |
| C2 | C1 | H1 | 119.7° | 119.8° |
| C1 | C2 | C3 | 118.6° | 119.7° |
| C1 | C2 | H2 | 120.7° | 120.1° |
| C6 | C1 | H1 | 119.7° | 119.8° |
| C1 | C6 | C5 | 120.0° | 120.8° |
| C1 | C6 | H6 | 120.0° | 119.7° |
| C3 | C2 | H2 | 120.7° | 120.2° |
| C2 | C3 | C4 | 121.9° | 120.1° |
| C2 | C3 | C11 | 129.4° | 134.2° |
| C4 | C3 | C11 | 108.6° | 105.7° |
| C3 | C4 | C5 | 118.9° | 119.2° |
| C3 | C4 | O13 | 112.7° | 107.6° |
| C3 | C11 | C12 | 100.0° | 106.0° |
| C3 | C11 | H11 | 130.0° | 127.0° |
| C5 | C4 | O13 | 128.4° | 133.2° |
| C4 | C5 | C6 | 120.0° | 119.8° |
| C4 | C5 | H5 | 120.0° | 120.1° |
| C4 | O13 | C12 | 102.0° | 110.9° |
| C6 | C5 | H5 | 120.0° | 120.1° |
| C5 | C6 | H6 | 120.0° | 119.6° |
| C8 | C7 | C9 | 109.4° | 109.4° |
| C8 | C7 | C41 | 109.5° | 109.5° |
| C8 | C7 | H7 | 110.2° | 109.5° |
| C7 | C8 | H81 | 109.5° | 109.5° |
| C7 | C8 | H82 | 109.5° | 109.5° |
| C7 | C8 | H83 | 109.5° | 109.4° |
| C9 | C7 | C41 | 111.5° | 109.5° |
| C9 | C7 | H7 | 108.2° | 109.4° |
| C7 | C9 | H91 | 109.4° | 109.5° |
| C7 | C9 | H92 | 109.5° | 109.5° |
| C7 | C9 | H93 | 109.5° | 109.5° |
| C41 | C7 | H7 | 108.0° | 109.5° |
| C7 | C41 | N38 | 111.5° | 109.5° |
| C7 | C41 | C42 | 110.3° | 109.5° |
| C7 | C41 | H41 | 107.6° | 109.5° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| H81 | C8 | H83 | 109.5° | 109.5° |
| H82 | C8 | H83 | 109.5° | 109.4° |
| H91 | C9 | H92 | 109.5° | 109.4° |
| H91 | C9 | H93 | 109.5° | 109.5° |
| H92 | C9 | H93 | 109.4° | 109.5° |
| C12 | C11 | H11 | 130.0° | 127.0° |
| C11 | C12 | O13 | 116.6° | 109.8° |
| C11 | C12 | C14 | 118.8° | 125.0° |
| O13 | C12 | C14 | 124.5° | 125.2° |
| C12 | C14 | N15 | 115.9° | 120.0° |
| C12 | C14 | O17 | 120.4° | 120.1° |
| N15 | C14 | O17 | 123.7° | 120.0° |
| C14 | N15 | C16 | 125.4° | 120.0° |
| C14 | N15 | H15 | 117.3° | 120.0° |
| C16 | N15 | H15 | 117.3° | 120.0° |
| N15 | C16 | C18 | 117.2° | 119.9° |
| N15 | C16 | C22 | 123.3° | 119.9° |
| C18 | C16 | C22 | 119.5° | 120.1° |
| C16 | C18 | C19 | 120.3° | 120.0° |
| C16 | C18 | H18 | 119.8° | 120.0° |
| C16 | C22 | C21 | 119.9° | 120.0° |
| C16 | C22 | H22 | 120.0° | 120.0° |
| C19 | C18 | H18 | 119.9° | 119.9° |
| C18 | C19 | C20 | 120.9° | 119.9° |
| C18 | C19 | H19 | 119.5° | 120.0° |
| C20 | C19 | H19 | 119.6° | 120.0° |
| C19 | C20 | C21 | 118.4° | 119.9° |
| C19 | C20 | C27 | 120.1° | 120.1° |
| C21 | C20 | C27 | 121.6° | 120.0° |
| C20 | C21 | C22 | 121.0° | 119.9° |
| C20 | C21 | H21 | 119.5° | 120.1° |
| C20 | C27 | C28 | 121.0° | 120.1° |
| C20 | C27 | C32 | 120.5° | 120.1° |
| C22 | C21 | H21 | 119.5° | 120.0° |
| C21 | C22 | H22 | 120.1° | 120.0° |
| C28 | C27 | C32 | 118.5° | 119.7° |
| C27 | C28 | C29 | 120.9° | 119.9° |
| C27 | C28 | H28 | 119.6° | 120.1° |
| C27 | C32 | C31 | 120.7° | 119.9° |
| C27 | C32 | H32 | 119.7° | 120.0° |
| C29 | C28 | H28 | 119.6° | 120.1° |
| C28 | C29 | C30 | 119.7° | 120.1° |
| C28 | C29 | H29 | 120.2° | 120.0° |
| C30 | C29 | H29 | 120.1° | 119.9° |
| C29 | C30 | C31 | 119.8° | 120.3° |
| C29 | C30 | S37 | 120.0° | 119.9° |
| C31 | C30 | S37 | 120.1° | 119.9° |
| C30 | C31 | C32 | 120.5° | 120.1° |
| C30 | C31 | H31 | 119.8° | 120.0° |
| C30 | S37 | N38 | 110.0° | 107.4° |
| C30 | S37 | O39 | 110.3° | 105.8° |
| C30 | S37 | O40 | 111.7° | 105.8° |
| C32 | C31 | H31 | 119.7° | 119.9° |
| C31 | C32 | H32 | 119.6° | 120.1° |
| N38 | S37 | O39 | 103.4° | 105.8° |
| N38 | S37 | O40 | 104.1° | 105.8° |
| S37 | N38 | C41 | 122.3° | 120.1° |
| S37 | N38 | H38 | 105.4° | 120.0° |
| O39 | S37 | O40 | 116.8° | 125.3° |
| C41 | N38 | H38 | 105.4° | 120.0° |
| N38 | C41 | C42 | 109.9° | 109.5° |
| N38 | C41 | H41 | 108.0° | 109.4° |
| C42 | C41 | H41 | 109.3° | 109.4° |
| C41 | C42 | O45 | 122.2° | 120.0° |
| C41 | C42 | O50 | 119.5° | 120.0° |
| O45 | C42 | O50 | 118.2° | 120.0° |
| C42 | O50 | H50 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.8° | 0.1° |
| C1 | C2 | C3 | C11 | 179.8° | 179.8° |
| C2 | C1 | C6 | C5 | 0.4° | 0.0° |
| C2 | C1 | C6 | H6 | 179.6° | 180.0° |
| C6 | C1 | C2 | C3 | 0.5° | 0.1° |
| C6 | C1 | C2 | H2 | 179.5° | 180.0° |
| C1 | C6 | C5 | C4 | 0.6° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.4° | 179.9° |
| H1 | C1 | C2 | C3 | 179.5° | 180.0° |
| H1 | C1 | C2 | H2 | 0.6° | 0.0° |
| H1 | C1 | C6 | C5 | 179.6° | 180.0° |
| H1 | C1 | C6 | H6 | 0.4° | 0.0° |
| C2 | C3 | C4 | C11 | 179.2° | 179.9° |
| C2 | C3 | C4 | C5 | 1.0° | 0.1° |
| C2 | C3 | C4 | O13 | 179.9° | 180.0° |
| C2 | C3 | C11 | C12 | 179.6° | 179.8° |
| C2 | C3 | C11 | H11 | 0.4° | 0.1° |
| H2 | C2 | C3 | C4 | 179.2° | 179.9° |
| H2 | C2 | C3 | C11 | 0.2° | 0.2° |
| C3 | C4 | C5 | O13 | 179.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.8° | 0.1° |
| C3 | C4 | C5 | H5 | 179.2° | 180.0° |
| C4 | C3 | C11 | C12 | 0.5° | 0.3° |
| C4 | C3 | C11 | H11 | 179.5° | 179.8° |
| C3 | C4 | O13 | C12 | 0.6° | 0.1° |
| C11 | C3 | C4 | C5 | 179.9° | 179.8° |
| C11 | C3 | C4 | O13 | 0.7° | 0.1° |
| C3 | C11 | C12 | H11 | 180.0° | 179.9° |
| C3 | C11 | C12 | O13 | 0.1° | 0.3° |
| C3 | C11 | C12 | C14 | 179.8° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.4° | 180.0° |
| C5 | C4 | O13 | C12 | 179.6° | 180.0° |
| O13 | C4 | C5 | C6 | 179.8° | 180.0° |
| O13 | C4 | C5 | H5 | 0.2° | 0.1° |
| C4 | O13 | C12 | C11 | 0.3° | 0.3° |
| C4 | O13 | C12 | C14 | 179.8° | 180.0° |
| H5 | C5 | C6 | H6 | 0.6° | 0.1° |
| C8 | C7 | C9 | C41 | 121.3° | 120.0° |
| C8 | C7 | C9 | H7 | 120.0° | 120.0° |
| C8 | C7 | C41 | H7 | 120.0° | 120.1° |
| C7 | C8 | H81 | H82 | 120.0° | 120.1° |
| C7 | C8 | H81 | H83 | 120.0° | 120.0° |
| C7 | C8 | H82 | H83 | 120.0° | 120.0° |
| C8 | C7 | C9 | H91 | 72.2° | 60.0° |
| C8 | C7 | C9 | H92 | 47.8° | 180.0° |
| C8 | C7 | C9 | H93 | 167.7° | 60.0° |
| C8 | C7 | C41 | N38 | 60.0° | 65.1° |
| C8 | C7 | C41 | C42 | 177.5° | 55.0° |
| C8 | C7 | C41 | H41 | 58.3° | 175.0° |
| C9 | C7 | C41 | H7 | 118.8° | 120.0° |
| C9 | C7 | C8 | H81 | 118.2° | 60.1° |
| C9 | C7 | C8 | H82 | 121.8° | 60.0° |
| C9 | C7 | C8 | H83 | 1.8° | 179.9° |
| C7 | C9 | H91 | H92 | 120.0° | 120.0° |
| C7 | C9 | H91 | H93 | 120.0° | 120.0° |
| C7 | C9 | H92 | H93 | 120.0° | 120.0° |
| C9 | C7 | C41 | N38 | 178.8° | 175.0° |
| C9 | C7 | C41 | C42 | 56.4° | 65.0° |
| C9 | C7 | C41 | H41 | 62.8° | 55.0° |
| C41 | C7 | C8 | H81 | 119.4° | 59.9° |
| C41 | C7 | C8 | H82 | 0.6° | 180.0° |
| C41 | C7 | C8 | H83 | 120.6° | 60.0° |
| C41 | C7 | C9 | H91 | 166.5° | 60.0° |
| C41 | C7 | C9 | H92 | 73.5° | 60.0° |
| C41 | C7 | C9 | H93 | 46.5° | 180.0° |
| C7 | C41 | N38 | S37 | 151.6° | 145.0° |
| C7 | C41 | N38 | C42 | 122.7° | 120.1° |
| C7 | C41 | N38 | H41 | 118.1° | 120.0° |
| C7 | C41 | N38 | H38 | 31.6° | 35.0° |
| C7 | C41 | C42 | H41 | 118.2° | 120.0° |
| C7 | C41 | C42 | O45 | 48.3° | 119.9° |
| C7 | C41 | C42 | O50 | 133.8° | 59.9° |
| H7 | C7 | C8 | H81 | 0.7° | 180.0° |
| H7 | C7 | C8 | H82 | 119.3° | 59.9° |
| H7 | C7 | C8 | H83 | 120.7° | 60.0° |
| H7 | C7 | C9 | H91 | 47.8° | 180.0° |
| H7 | C7 | C9 | H92 | 167.8° | 60.1° |
| H7 | C7 | C9 | H93 | 72.2° | 60.0° |
| H7 | C7 | C41 | N38 | 60.0° | 55.0° |
| H7 | C7 | C41 | C42 | 62.4° | 175.0° |
| H7 | C7 | C41 | H41 | 178.3° | 65.0° |
| H81 | C8 | H82 | H83 | 120.0° | 120.0° |
| H91 | C9 | H92 | H93 | 120.0° | 120.0° |
| C11 | C12 | O13 | C14 | 180.0° | 179.7° |
| C11 | C12 | C14 | N15 | 164.3° | 179.7° |
| C11 | C12 | C14 | O17 | 15.6° | 0.3° |
| H11 | C11 | C12 | O13 | 179.8° | 179.7° |
| H11 | C11 | C12 | C14 | 0.2° | 0.0° |
| O13 | C12 | C14 | N15 | 15.7° | 0.1° |
| O13 | C12 | C14 | O17 | 164.4° | 179.9° |
| C12 | C14 | N15 | O17 | 179.9° | 180.0° |
| C12 | C14 | N15 | C16 | 172.1° | 174.5° |
| C12 | C14 | N15 | H15 | 7.9° | 5.5° |
| C14 | N15 | C16 | H15 | 180.0° | 180.0° |
| C14 | N15 | C16 | C18 | 123.8° | 146.5° |
| C14 | N15 | C16 | C22 | 56.2° | 33.5° |
| O17 | C14 | N15 | C16 | 8.0° | 5.5° |
| O17 | C14 | N15 | H15 | 172.0° | 174.5° |
| N15 | C16 | C18 | C22 | 180.0° | 180.0° |
| N15 | C16 | C18 | C19 | 179.9° | 179.8° |
| N15 | C16 | C18 | H18 | 0.1° | 0.0° |
| N15 | C16 | C22 | C21 | 180.0° | 180.0° |
| N15 | C16 | C22 | H22 | 0.0° | 0.0° |
| H15 | N15 | C16 | C18 | 56.2° | 33.6° |
| H15 | N15 | C16 | C22 | 123.8° | 146.5° |
| C16 | C18 | C19 | H18 | 180.0° | 179.8° |
| C16 | C18 | C19 | C20 | 0.1° | 0.4° |
| C16 | C18 | C19 | H19 | 179.9° | 180.0° |
| C18 | C16 | C22 | C21 | 0.0° | 0.0° |
| C18 | C16 | C22 | H22 | 179.9° | 180.0° |
| C22 | C16 | C18 | C19 | 0.1° | 0.2° |
| C22 | C16 | C18 | H18 | 179.9° | 180.0° |
| C16 | C22 | C21 | C20 | 0.0° | 0.0° |
| C16 | C22 | C21 | H22 | 180.0° | 180.0° |
| C16 | C22 | C21 | H21 | 180.0° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.6° |
| C18 | C19 | C20 | C21 | 0.1° | 0.5° |
| C18 | C19 | C20 | C27 | 179.7° | 179.8° |
| H18 | C18 | C19 | C20 | 179.9° | 179.8° |
| H18 | C18 | C19 | H19 | 0.1° | 0.1° |
| C19 | C20 | C21 | C27 | 179.6° | 179.7° |
| C19 | C20 | C21 | C22 | 0.0° | 0.3° |
| C19 | C20 | C21 | H21 | 180.0° | 179.8° |
| C19 | C20 | C27 | C28 | 45.6° | 139.9° |
| C19 | C20 | C27 | C32 | 134.1° | 39.9° |
| H19 | C19 | C20 | C21 | 179.9° | 179.9° |
| H19 | C19 | C20 | C27 | 0.4° | 0.2° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | H22 | 180.0° | 179.9° |
| C21 | C20 | C27 | C28 | 134.9° | 39.8° |
| C21 | C20 | C27 | C32 | 45.4° | 140.3° |
| C27 | C20 | C21 | C22 | 179.6° | 180.0° |
| C27 | C20 | C21 | H21 | 0.4° | 0.0° |
| C20 | C27 | C28 | C32 | 179.7° | 179.9° |
| C20 | C27 | C28 | C29 | 179.3° | 179.8° |
| C20 | C27 | C28 | H28 | 0.7° | 0.1° |
| C20 | C27 | C32 | C31 | 179.3° | 180.0° |
| C20 | C27 | C32 | H32 | 0.7° | 0.0° |
| H21 | C21 | C22 | H22 | 0.0° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.7° |
| C27 | C28 | C29 | C30 | 0.2° | 0.5° |
| C27 | C28 | C29 | H29 | 179.8° | 180.0° |
| C28 | C27 | C32 | C31 | 0.4° | 0.1° |
| C28 | C27 | C32 | H32 | 179.6° | 179.9° |
| C32 | C27 | C28 | C29 | 0.4° | 0.3° |
| C32 | C27 | C28 | H28 | 179.6° | 180.0° |
| C27 | C32 | C31 | C30 | 0.1° | 0.1° |
| C27 | C32 | C31 | H32 | 180.0° | 180.0° |
| C27 | C32 | C31 | H31 | 179.8° | 180.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.5° |
| C28 | C29 | C30 | C31 | 0.1° | 0.5° |
| C28 | C29 | C30 | S37 | 179.1° | 179.8° |
| H28 | C28 | C29 | C30 | 179.8° | 179.8° |
| H28 | C28 | C29 | H29 | 0.2° | 0.3° |
| C29 | C30 | C31 | S37 | 179.2° | 179.7° |
| C29 | C30 | C31 | C32 | 0.1° | 0.3° |
| C29 | C30 | C31 | H31 | 179.9° | 179.8° |
| C29 | C30 | S37 | N38 | 122.9° | 90.2° |
| C29 | C30 | S37 | O39 | 9.5° | 157.1° |
| C29 | C30 | S37 | O40 | 122.1° | 22.4° |
| H29 | C29 | C30 | C31 | 179.9° | 180.0° |
| H29 | C29 | C30 | S37 | 0.9° | 0.2° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | H32 | 179.9° | 180.0° |
| C31 | C30 | S37 | N38 | 56.3° | 90.0° |
| C31 | C30 | S37 | O39 | 169.7° | 22.6° |
| C31 | C30 | S37 | O40 | 58.7° | 157.4° |
| S37 | C30 | C31 | C32 | 179.1° | 180.0° |
| S37 | C30 | C31 | H31 | 0.9° | 0.0° |
| C30 | S37 | N38 | O39 | 117.8° | 112.6° |
| C30 | S37 | N38 | O40 | 119.7° | 112.6° |
| C30 | S37 | O39 | O40 | 128.9° | 123.1° |
| C30 | S37 | N38 | C41 | 58.3° | 65.0° |
| C30 | S37 | N38 | H38 | 178.2° | 115.0° |
| H31 | C31 | C32 | H32 | 0.2° | 0.0° |
| N38 | S37 | O39 | O40 | 113.6° | 123.1° |
| S37 | N38 | C41 | H38 | 120.0° | 180.0° |
| S37 | N38 | C41 | C42 | 85.7° | 94.9° |
| S37 | N38 | C41 | H41 | 33.5° | 25.0° |
| O39 | S37 | N38 | C41 | 59.5° | 177.6° |
| O39 | S37 | N38 | H38 | 60.5° | 2.4° |
| O40 | S37 | N38 | C41 | 178.0° | 47.6° |
| O40 | S37 | N38 | H38 | 62.0° | 132.4° |
| N38 | C41 | C42 | H41 | 118.4° | 119.9° |
| N38 | C41 | C42 | O45 | 75.1° | 0.1° |
| N38 | C41 | C42 | O50 | 102.8° | 180.0° |
| H38 | N38 | C41 | C42 | 154.3° | 85.1° |
| H38 | N38 | C41 | H41 | 86.5° | 155.0° |
| C41 | C42 | O45 | O50 | 177.9° | 179.9° |
| C41 | C42 | O50 | H50 | 178.0° | 180.0° |
| H41 | C41 | C42 | O45 | 166.5° | 120.1° |
| H41 | C41 | C42 | O50 | 15.6° | 60.1° |
| O45 | C42 | O50 | H50 | 0.0° | 0.1° |
