51M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C16 | doub | 1.21Å | 1.35Å | |
| O17 | C16 | sing | 1.34Å | 1.21Å | |
| C16 | C13 | sing | 1.51Å | 1.49Å | |
| C13 | C14 | sing | 1.55Å | 1.53Å | |
| C13 | C12 | sing | 1.54Å | 1.53Å | |
| C14 | C15 | sing | 1.55Å | 1.52Å | |
| C12 | N11 | sing | 1.47Å | 1.49Å | |
| C15 | N11 | sing | 1.48Å | 1.50Å | |
| N11 | C3 | sing | 1.40Å | 1.43Å | |
| C2 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| C30 | C25 | sing | 1.51Å | 1.49Å | |
| C3 | C5 | sing | 1.41Å | 1.43Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C27 | sing | 1.51Å | 1.49Å | |
| C25 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.40Å | Aromatic |
| C24 | C29 | sing | 1.51Å | 1.49Å | |
| C24 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C9 | sing | 1.36Å | 1.36Å | Aromatic |
| C28 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | C32 | sing | 1.51Å | 1.49Å | |
| C4 | C6 | sing | 1.41Å | 1.43Å | Aromatic |
| C4 | N19 | sing | 1.40Å | 1.42Å | |
| C21 | S20 | sing | 1.76Å | 1.66Å | |
| C6 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| N19 | S20 | sing | 1.66Å | 1.65Å | |
| C9 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| S20 | O22 | doub | 1.42Å | 1.41Å | |
| S20 | O23 | doub | 1.42Å | 1.41Å | |
| C7 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| O17 | H14 | sing | 0.97Å | 0.95Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| N19 | H24 | sing | 0.97Å | 1.00Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C16 | O17 | 119.3° | 120.0° |
| O18 | C16 | C13 | 112.0° | 120.0° |
| O17 | C16 | C13 | 128.7° | 120.0° |
| C16 | O17 | H14 | 109.5° | 117.0° |
| C16 | C13 | C14 | 110.7° | 110.7° |
| C16 | C13 | C12 | 112.2° | 110.7° |
| C16 | C13 | H9 | 110.3° | 110.7° |
| C14 | C13 | C12 | 103.7° | 103.0° |
| C13 | C14 | C15 | 104.9° | 101.6° |
| C14 | C13 | H9 | 109.9° | 110.7° |
| C13 | C14 | H10 | 110.6° | 111.0° |
| C13 | C14 | H11 | 110.6° | 111.0° |
| C13 | C12 | N11 | 104.7° | 107.2° |
| C13 | C12 | H7 | 110.7° | 109.9° |
| C13 | C12 | H8 | 110.7° | 110.0° |
| C12 | C13 | H9 | 109.8° | 110.7° |
| C14 | C15 | N11 | 106.3° | 104.8° |
| C15 | C14 | H10 | 110.6° | 111.1° |
| C15 | C14 | H11 | 110.6° | 111.0° |
| C14 | C15 | H12 | 110.2° | 110.3° |
| C14 | C15 | H13 | 110.3° | 110.4° |
| C12 | N11 | C15 | 109.1° | 108.6° |
| C12 | N11 | C3 | 114.0° | 111.0° |
| N11 | C12 | H7 | 110.6° | 109.9° |
| N11 | C12 | H8 | 110.6° | 109.9° |
| C15 | N11 | C3 | 115.4° | 111.0° |
| N11 | C15 | H12 | 110.3° | 110.3° |
| N11 | C15 | H13 | 110.3° | 110.4° |
| N11 | C3 | C2 | 122.6° | 120.1° |
| N11 | C3 | C5 | 117.3° | 120.1° |
| C3 | C2 | C1 | 120.9° | 120.8° |
| C2 | C3 | C5 | 120.1° | 119.8° |
| C3 | C2 | H2 | 119.5° | 119.6° |
| C2 | C1 | C4 | 120.1° | 120.8° |
| C2 | C1 | H1 | 120.0° | 119.6° |
| C1 | C2 | H2 | 119.6° | 119.6° |
| C30 | C25 | C26 | 117.6° | 120.0° |
| C30 | C25 | C24 | 122.4° | 120.0° |
| C25 | C30 | H15 | 109.5° | 109.5° |
| C25 | C30 | H16 | 109.5° | 109.5° |
| C25 | C30 | H17 | 109.5° | 109.5° |
| C3 | C5 | C10 | 121.7° | 121.2° |
| C3 | C5 | C6 | 119.2° | 119.4° |
| C25 | C26 | C27 | 120.3° | 120.0° |
| C26 | C25 | C24 | 120.0° | 120.0° |
| C25 | C26 | H25 | 119.8° | 120.0° |
| C26 | C27 | C31 | 117.6° | 120.0° |
| C26 | C27 | C28 | 120.0° | 119.9° |
| C27 | C26 | H25 | 119.8° | 120.0° |
| C31 | C27 | C28 | 122.4° | 120.0° |
| C27 | C31 | H18 | 109.5° | 109.5° |
| C27 | C31 | H19 | 109.4° | 109.5° |
| C27 | C31 | H20 | 109.5° | 109.5° |
| C25 | C24 | C29 | 116.1° | 120.0° |
| C25 | C24 | C21 | 121.2° | 120.0° |
| C1 | C4 | C6 | 120.4° | 119.7° |
| C1 | C4 | N19 | 119.5° | 120.1° |
| C4 | C1 | H1 | 120.0° | 119.6° |
| C27 | C28 | C21 | 121.9° | 120.1° |
| C27 | C28 | C32 | 116.6° | 119.9° |
| C10 | C5 | C6 | 119.2° | 119.4° |
| C5 | C10 | C9 | 120.6° | 119.7° |
| C5 | C10 | H6 | 119.7° | 120.1° |
| C5 | C6 | C4 | 119.3° | 119.5° |
| C5 | C6 | C7 | 119.2° | 119.3° |
| C29 | C24 | C21 | 122.7° | 120.0° |
| C24 | C29 | H26 | 109.5° | 109.4° |
| C24 | C29 | H27 | 109.5° | 109.5° |
| C24 | C29 | H28 | 109.5° | 109.5° |
| C24 | C21 | C28 | 116.6° | 120.0° |
| C24 | C21 | S20 | 122.2° | 120.0° |
| C10 | C9 | C8 | 120.2° | 120.9° |
| C10 | C9 | H5 | 119.9° | 119.6° |
| C9 | C10 | H6 | 119.7° | 120.2° |
| C21 | C28 | C32 | 121.5° | 120.0° |
| C28 | C21 | S20 | 121.2° | 120.0° |
| C28 | C32 | H21 | 109.5° | 109.5° |
| C28 | C32 | H22 | 109.5° | 109.5° |
| C28 | C32 | H23 | 109.4° | 109.5° |
| C6 | C4 | N19 | 120.2° | 120.2° |
| C4 | C6 | C7 | 121.4° | 121.2° |
| C4 | N19 | S20 | 126.4° | 120.0° |
| C4 | N19 | H24 | 105.1° | 119.9° |
| C21 | S20 | N19 | 105.3° | 107.2° |
| C21 | S20 | O22 | 112.7° | 106.4° |
| C21 | S20 | O23 | 110.8° | 106.4° |
| C6 | C7 | C8 | 120.6° | 119.7° |
| C6 | C7 | H3 | 119.7° | 120.2° |
| N19 | S20 | O22 | 104.5° | 106.4° |
| N19 | S20 | O23 | 108.3° | 106.4° |
| S20 | N19 | H24 | 105.1° | 120.0° |
| C9 | C8 | C7 | 120.2° | 120.9° |
| C9 | C8 | H4 | 119.9° | 119.5° |
| C8 | C9 | H5 | 119.9° | 119.5° |
| O22 | S20 | O23 | 114.6° | 123.2° |
| C8 | C7 | H3 | 119.7° | 120.1° |
| C7 | C8 | H4 | 119.9° | 119.6° |
| H7 | C12 | H8 | 109.5° | 109.9° |
| H10 | C14 | H11 | 109.4° | 110.9° |
| H12 | C15 | H13 | 109.5° | 110.4° |
| H15 | C30 | H16 | 109.5° | 109.4° |
| H15 | C30 | H17 | 109.4° | 109.4° |
| H16 | C30 | H17 | 109.5° | 109.5° |
| H18 | C31 | H19 | 109.5° | 109.5° |
| H18 | C31 | H20 | 109.4° | 109.5° |
| H19 | C31 | H20 | 109.5° | 109.4° |
| H21 | C32 | H22 | 109.5° | 109.4° |
| H21 | C32 | H23 | 109.5° | 109.4° |
| H22 | C32 | H23 | 109.4° | 109.4° |
| H26 | C29 | H27 | 109.5° | 109.5° |
| H26 | C29 | H28 | 109.5° | 109.5° |
| H27 | C29 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C16 | O17 | C13 | 179.9° | 180.0° |
| O18 | C16 | C13 | C14 | 101.6° | 118.6° |
| O18 | C16 | C13 | C12 | 143.1° | 5.0° |
| O18 | C16 | C13 | H9 | 20.3° | 118.3° |
| O18 | C16 | O17 | H14 | 0.0° | 0.0° |
| O17 | C16 | C13 | C14 | 78.3° | 61.4° |
| O17 | C16 | C13 | C12 | 37.1° | 175.0° |
| O17 | C16 | C13 | H9 | 159.8° | 61.7° |
| C16 | C13 | C14 | C12 | 120.6° | 118.4° |
| C16 | C13 | C14 | H9 | 122.1° | 123.2° |
| C16 | C13 | C12 | H9 | 123.1° | 123.2° |
| C16 | C13 | C14 | C15 | 153.1° | 154.0° |
| C16 | C13 | C12 | N11 | 151.6° | 140.7° |
| C16 | C13 | C12 | H7 | 32.4° | 21.3° |
| C16 | C13 | C12 | H8 | 89.1° | 99.9° |
| C16 | C13 | C14 | H10 | 87.6° | 87.8° |
| C16 | C13 | C14 | H11 | 33.8° | 35.9° |
| C13 | C16 | O17 | H14 | 179.9° | 180.0° |
| C14 | C13 | C12 | H9 | 117.4° | 118.4° |
| C13 | C14 | C15 | H10 | 119.3° | 118.1° |
| C13 | C14 | C15 | H11 | 119.3° | 118.1° |
| C14 | C13 | C12 | N11 | 32.1° | 22.3° |
| C13 | C14 | C15 | N11 | 20.9° | 37.0° |
| C14 | C13 | C12 | H7 | 87.2° | 97.1° |
| C14 | C13 | C12 | H8 | 151.3° | 141.8° |
| C13 | C14 | H10 | H11 | 122.1° | 123.8° |
| C13 | C14 | C15 | H12 | 98.6° | 81.8° |
| C13 | C14 | C15 | H13 | 140.4° | 155.9° |
| C12 | C13 | C14 | C15 | 32.6° | 35.6° |
| C13 | C12 | N11 | H7 | 119.3° | 119.4° |
| C13 | C12 | N11 | H8 | 119.2° | 119.5° |
| C13 | C12 | N11 | C15 | 19.7° | 0.9° |
| C13 | C12 | N11 | C3 | 110.9° | 123.3° |
| C13 | C12 | H7 | H8 | 122.2° | 121.2° |
| C12 | C13 | C14 | H10 | 151.9° | 153.8° |
| C12 | C13 | C14 | H11 | 86.7° | 82.5° |
| C14 | C15 | N11 | C12 | 0.7° | 24.0° |
| C14 | C15 | N11 | H12 | 119.5° | 118.8° |
| C14 | C15 | N11 | H13 | 119.5° | 118.9° |
| C14 | C15 | N11 | C3 | 130.5° | 146.4° |
| C15 | C14 | C13 | H9 | 84.7° | 82.8° |
| C15 | C14 | H10 | H11 | 122.1° | 123.9° |
| C14 | C15 | H12 | H13 | 121.5° | 122.3° |
| C12 | N11 | C15 | C3 | 129.8° | 122.3° |
| C12 | N11 | C3 | C2 | 36.8° | 60.0° |
| C12 | N11 | C3 | C5 | 143.3° | 120.0° |
| N11 | C12 | H7 | H8 | 122.2° | 121.0° |
| N11 | C12 | C13 | H9 | 85.3° | 96.1° |
| C12 | N11 | C15 | H12 | 118.8° | 94.8° |
| C12 | N11 | C15 | H13 | 120.2° | 142.9° |
| C15 | N11 | C3 | C2 | 90.6° | 60.9° |
| C15 | N11 | C3 | C5 | 89.3° | 119.1° |
| C15 | N11 | C12 | H7 | 99.6° | 120.4° |
| C15 | N11 | C12 | H8 | 138.9° | 118.6° |
| N11 | C15 | C14 | H10 | 140.2° | 155.1° |
| N11 | C15 | C14 | H11 | 98.4° | 81.0° |
| N11 | C15 | H12 | H13 | 121.5° | 122.3° |
| N11 | C3 | C2 | C5 | 179.9° | 179.9° |
| N11 | C3 | C2 | C1 | 179.9° | 180.0° |
| N11 | C3 | C5 | C10 | 0.1° | 0.1° |
| N11 | C3 | C5 | C6 | 179.9° | 179.7° |
| N11 | C3 | C2 | H2 | 0.1° | 0.0° |
| C3 | N11 | C12 | H7 | 129.9° | 117.3° |
| C3 | N11 | C12 | H8 | 8.4° | 3.7° |
| C3 | N11 | C15 | H12 | 11.0° | 27.6° |
| C3 | N11 | C15 | H13 | 110.0° | 94.7° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C4 | 0.0° | 0.0° |
| C2 | C3 | C5 | C10 | 180.0° | 180.0° |
| C2 | C3 | C5 | C6 | 0.0° | 0.2° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | C5 | 0.0° | 0.0° |
| C2 | C1 | C4 | H1 | 180.0° | 179.8° |
| C2 | C1 | C4 | C6 | 0.0° | 0.2° |
| C2 | C1 | C4 | N19 | 180.0° | 179.7° |
| C30 | C25 | C26 | C24 | 180.0° | 180.0° |
| C30 | C25 | C26 | C27 | 180.0° | 180.0° |
| C30 | C25 | C24 | C29 | 0.0° | 0.0° |
| C30 | C25 | C24 | C21 | 180.0° | 180.0° |
| C25 | C30 | H15 | H16 | 120.0° | 120.0° |
| C25 | C30 | H15 | H17 | 120.0° | 120.0° |
| C25 | C30 | H16 | H17 | 120.0° | 120.1° |
| C30 | C25 | C26 | H25 | 0.0° | 0.0° |
| C3 | C5 | C10 | C6 | 180.0° | 179.8° |
| C3 | C5 | C10 | C9 | 180.0° | 179.2° |
| C3 | C5 | C6 | C4 | 0.0° | 0.5° |
| C3 | C5 | C6 | C7 | 180.0° | 180.0° |
| C5 | C3 | C2 | H2 | 180.0° | 180.0° |
| C3 | C5 | C10 | H6 | 0.1° | 0.3° |
| C25 | C26 | C27 | H25 | 180.0° | 180.0° |
| C25 | C26 | C27 | C31 | 180.0° | 179.7° |
| C25 | C26 | C27 | C28 | 0.0° | 0.3° |
| C26 | C25 | C24 | C29 | 179.9° | 180.0° |
| C26 | C25 | C24 | C21 | 0.0° | 0.0° |
| C26 | C25 | C30 | H15 | 90.0° | 90.0° |
| C26 | C25 | C30 | H16 | 150.0° | 30.0° |
| C26 | C25 | C30 | H17 | 30.0° | 150.0° |
| C26 | C27 | C31 | C28 | 180.0° | 179.4° |
| C27 | C26 | C25 | C24 | 0.0° | 0.0° |
| C26 | C27 | C28 | C21 | 0.0° | 0.6° |
| C26 | C27 | C28 | C32 | 180.0° | 180.0° |
| C26 | C27 | C31 | H18 | 90.0° | 89.4° |
| C26 | C27 | C31 | H19 | 150.0° | 30.6° |
| C26 | C27 | C31 | H20 | 30.0° | 150.6° |
| C31 | C27 | C28 | C21 | 179.9° | 180.0° |
| C31 | C27 | C28 | C32 | 0.1° | 0.6° |
| C27 | C31 | H18 | H19 | 120.0° | 120.0° |
| C27 | C31 | H18 | H20 | 120.0° | 120.0° |
| C27 | C31 | H19 | H20 | 120.0° | 120.0° |
| C31 | C27 | C26 | H25 | 0.0° | 0.3° |
| C25 | C24 | C29 | C21 | 180.0° | 180.0° |
| C25 | C24 | C21 | C28 | 0.0° | 0.3° |
| C25 | C24 | C21 | S20 | 180.0° | 180.0° |
| C24 | C25 | C30 | H15 | 90.0° | 90.0° |
| C24 | C25 | C30 | H16 | 30.0° | 150.0° |
| C24 | C25 | C30 | H17 | 150.0° | 30.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C25 | C24 | C29 | H26 | 90.0° | 90.0° |
| C25 | C24 | C29 | H27 | 150.0° | 30.0° |
| C25 | C24 | C29 | H28 | 30.0° | 150.0° |
| C1 | C4 | C6 | C5 | 0.0° | 0.5° |
| C1 | C4 | C6 | N19 | 180.0° | 180.0° |
| C1 | C4 | C6 | C7 | 180.0° | 180.0° |
| C1 | C4 | N19 | S20 | 69.9° | 60.9° |
| C4 | C1 | C2 | H2 | 180.0° | 180.0° |
| C1 | C4 | N19 | H24 | 167.8° | 119.1° |
| C27 | C28 | C21 | C24 | 0.1° | 0.6° |
| C27 | C28 | C21 | C32 | 180.0° | 179.4° |
| C27 | C28 | C21 | S20 | 180.0° | 179.7° |
| C28 | C27 | C31 | H18 | 90.0° | 90.0° |
| C28 | C27 | C31 | H19 | 30.0° | 150.0° |
| C28 | C27 | C31 | H20 | 150.0° | 30.0° |
| C27 | C28 | C32 | H21 | 90.0° | 96.7° |
| C27 | C28 | C32 | H22 | 150.0° | 143.3° |
| C27 | C28 | C32 | H23 | 30.0° | 23.3° |
| C28 | C27 | C26 | H25 | 180.0° | 179.7° |
| C5 | C10 | C9 | H6 | 180.0° | 178.8° |
| C10 | C5 | C6 | C4 | 180.0° | 179.7° |
| C10 | C5 | C6 | C7 | 0.0° | 0.2° |
| C5 | C10 | C9 | C8 | 0.0° | 1.2° |
| C5 | C10 | C9 | H5 | 179.9° | 179.7° |
| C6 | C5 | C10 | C9 | 0.0° | 0.6° |
| C5 | C6 | C4 | C7 | 180.0° | 179.5° |
| C5 | C6 | C4 | N19 | 180.0° | 179.5° |
| C5 | C6 | C7 | C8 | 0.0° | 0.5° |
| C5 | C6 | C7 | H3 | 180.0° | 179.5° |
| C6 | C5 | C10 | H6 | 180.0° | 179.4° |
| C29 | C24 | C21 | C28 | 179.9° | 179.7° |
| C29 | C24 | C21 | S20 | 0.0° | 0.0° |
| C24 | C29 | H26 | H27 | 120.0° | 120.0° |
| C24 | C29 | H26 | H28 | 120.0° | 120.0° |
| C24 | C29 | H27 | H28 | 120.0° | 120.0° |
| C24 | C21 | C28 | S20 | 180.0° | 179.7° |
| C24 | C21 | C28 | C32 | 179.9° | 180.0° |
| C24 | C21 | S20 | N19 | 95.0° | 83.3° |
| C24 | C21 | S20 | O22 | 18.3° | 163.2° |
| C24 | C21 | S20 | O23 | 148.2° | 30.2° |
| C21 | C24 | C29 | H26 | 90.0° | 90.0° |
| C21 | C24 | C29 | H27 | 30.0° | 150.0° |
| C21 | C24 | C29 | H28 | 150.0° | 30.0° |
| C10 | C9 | C8 | H5 | 180.0° | 179.1° |
| C10 | C9 | C8 | C7 | 0.1° | 0.9° |
| C10 | C9 | C8 | H4 | 179.9° | 179.2° |
| C28 | C21 | S20 | N19 | 85.0° | 96.4° |
| C28 | C21 | S20 | O22 | 161.7° | 17.1° |
| C28 | C21 | S20 | O23 | 31.8° | 150.1° |
| C21 | C28 | C32 | H21 | 90.0° | 82.7° |
| C21 | C28 | C32 | H22 | 30.0° | 37.3° |
| C21 | C28 | C32 | H23 | 150.0° | 157.3° |
| C32 | C28 | C21 | S20 | 0.0° | 0.3° |
| C28 | C32 | H21 | H22 | 120.0° | 120.0° |
| C28 | C32 | H21 | H23 | 120.0° | 120.1° |
| C28 | C32 | H22 | H23 | 120.0° | 120.1° |
| C6 | C4 | N19 | S20 | 110.1° | 119.1° |
| C4 | C6 | C7 | C8 | 180.0° | 180.0° |
| C6 | C4 | C1 | H1 | 180.0° | 180.0° |
| C4 | C6 | C7 | H3 | 0.0° | 0.0° |
| C6 | C4 | N19 | H24 | 12.2° | 60.9° |
| C4 | N19 | S20 | C21 | 58.8° | 62.5° |
| N19 | C4 | C6 | C7 | 0.0° | 0.0° |
| C4 | N19 | S20 | H24 | 122.3° | 180.0° |
| C4 | N19 | S20 | O22 | 60.2° | 51.1° |
| C4 | N19 | S20 | O23 | 177.4° | 176.0° |
| N19 | C4 | C1 | H1 | 0.0° | 0.0° |
| C21 | S20 | N19 | O22 | 118.9° | 113.5° |
| C21 | S20 | N19 | O23 | 118.6° | 113.5° |
| C21 | S20 | O22 | O23 | 128.0° | 123.0° |
| C21 | S20 | N19 | H24 | 179.0° | 117.6° |
| C6 | C7 | C8 | C9 | 0.0° | 0.1° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | H4 | 179.9° | 180.0° |
| N19 | S20 | O22 | O23 | 118.3° | 122.9° |
| C9 | C8 | C7 | H4 | 180.0° | 179.9° |
| C9 | C8 | C7 | H3 | 180.0° | 179.9° |
| C8 | C9 | C10 | H6 | 179.9° | 180.0° |
| O22 | S20 | N19 | H24 | 62.1° | 128.9° |
| O23 | S20 | N19 | H24 | 60.4° | 4.0° |
| C7 | C8 | C9 | H5 | 179.9° | 180.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.2° |
| H3 | C7 | C8 | H4 | 0.0° | 0.0° |
| H4 | C8 | C9 | H5 | 0.1° | 0.1° |
| H5 | C9 | C10 | H6 | 0.1° | 0.9° |
| H7 | C12 | C13 | H9 | 155.5° | 144.5° |
| H8 | C12 | C13 | H9 | 33.9° | 23.4° |
| H9 | C13 | C14 | H10 | 34.5° | 35.3° |
| H9 | C13 | C14 | H11 | 155.9° | 159.1° |
| H10 | C14 | C15 | H12 | 20.6° | 36.3° |
| H10 | C14 | C15 | H13 | 100.3° | 86.0° |
| H11 | C14 | C15 | H12 | 142.1° | 160.2° |
| H11 | C14 | C15 | H13 | 21.1° | 37.9° |
| H15 | C30 | H16 | H17 | 120.0° | 119.9° |
| H18 | C31 | H19 | H20 | 120.0° | 119.9° |
| H21 | C32 | H22 | H23 | 120.0° | 119.9° |
| H26 | C29 | H27 | H28 | 120.0° | 120.0° |
