4O4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | O18 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| O18 | C17 | sing | 1.43Å | 1.42Å | |
| C20 | N15 | sing | 1.47Å | 1.48Å | |
| C17 | C16 | sing | 1.53Å | 1.50Å | |
| N15 | C13 | sing | 1.35Å | 1.36Å | |
| N15 | C16 | sing | 1.47Å | 1.47Å | |
| O14 | C13 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C13 | C11 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | C5 | sing | 1.51Å | 1.50Å | |
| C3 | O4 | doub | 1.21Å | 1.22Å | |
| C11 | N10 | sing | 1.46Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C5 | N6 | sing | 1.46Å | 1.49Å | |
| N10 | C9 | sing | 1.38Å | 1.48Å | |
| N10 | C21 | sing | 1.35Å | 1.37Å | |
| C9 | C8 | doub | 1.32Å | 1.51Å | |
| C21 | O22 | doub | 1.21Å | 1.22Å | |
| C21 | C7 | sing | 1.52Å | 1.50Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| N6 | C7 | sing | 1.46Å | 1.48Å | |
| N6 | S23 | sing | 1.66Å | 1.64Å | |
| O25 | S23 | doub | 1.42Å | 1.45Å | |
| C27 | C28 | doub | 1.36Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| S23 | C26 | sing | 1.76Å | 1.79Å | |
| S23 | O24 | doub | 1.42Å | 1.45Å | |
| C28 | C29 | sing | 1.41Å | 1.38Å | Aromatic |
| C26 | C36 | doub | 1.36Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.41Å | 1.39Å | Aromatic |
| C29 | C35 | sing | 1.42Å | 1.38Å | Aromatic |
| C36 | C35 | sing | 1.41Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.36Å | 1.38Å | Aromatic |
| C35 | C34 | doub | 1.41Å | 1.38Å | Aromatic |
| C31 | CL1 | sing | 1.74Å | 1.74Å | |
| C31 | C33 | doub | 1.39Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.36Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å | |
| C33 | H26 | sing | 1.08Å | 1.08Å | |
| C34 | H27 | sing | 1.08Å | 1.08Å | |
| C36 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C19 | C20 | 108.4° | 109.3° |
| C19 | O18 | C17 | 109.6° | 114.2° |
| O18 | C19 | H19 | 109.8° | 109.5° |
| O18 | C19 | H20 | 109.8° | 109.5° |
| C19 | C20 | N15 | 110.2° | 108.6° |
| C20 | C19 | H19 | 109.7° | 109.6° |
| C20 | C19 | H20 | 109.7° | 109.4° |
| C19 | C20 | H21 | 109.3° | 109.7° |
| C19 | C20 | H22 | 109.3° | 109.7° |
| O18 | C17 | C16 | 108.9° | 109.2° |
| O18 | C17 | H17 | 109.6° | 109.5° |
| O18 | C17 | H18 | 109.6° | 109.5° |
| C20 | N15 | C13 | 118.6° | 120.9° |
| C20 | N15 | C16 | 113.5° | 118.0° |
| N15 | C20 | H21 | 109.3° | 109.8° |
| N15 | C20 | H22 | 109.3° | 109.4° |
| C17 | C16 | N15 | 111.1° | 108.4° |
| C17 | C16 | H15 | 109.0° | 109.7° |
| C17 | C16 | H16 | 109.0° | 109.7° |
| C16 | C17 | H17 | 109.6° | 109.5° |
| C16 | C17 | H18 | 109.6° | 109.5° |
| C13 | N15 | C16 | 122.0° | 121.0° |
| N15 | C13 | O14 | 121.0° | 120.0° |
| N15 | C13 | C11 | 118.5° | 120.1° |
| N15 | C16 | H15 | 109.1° | 109.7° |
| N15 | C16 | H16 | 109.1° | 109.6° |
| O14 | C13 | C11 | 120.5° | 120.0° |
| C1 | C2 | C3 | 110.1° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H4 | 109.3° | 109.5° |
| C1 | C2 | H5 | 109.3° | 109.5° |
| C13 | C11 | N10 | 105.8° | 109.5° |
| C13 | C11 | C12 | 109.8° | 109.4° |
| C13 | C11 | H11 | 109.8° | 109.4° |
| C2 | C3 | C5 | 115.7° | 120.0° |
| C2 | C3 | O4 | 123.0° | 120.0° |
| C3 | C2 | H4 | 109.3° | 109.5° |
| C3 | C2 | H5 | 109.3° | 109.4° |
| C5 | C3 | O4 | 121.3° | 120.0° |
| C3 | C5 | N6 | 116.0° | 109.5° |
| C3 | C5 | H6 | 107.8° | 109.5° |
| C3 | C5 | H7 | 107.8° | 109.5° |
| N10 | C11 | C12 | 111.2° | 109.5° |
| C11 | N10 | C9 | 122.2° | 124.2° |
| C11 | N10 | C21 | 122.0° | 124.1° |
| N10 | C11 | H11 | 110.6° | 109.5° |
| C12 | C11 | H11 | 109.7° | 109.4° |
| C11 | C12 | H12 | 109.5° | 109.5° |
| C11 | C12 | H13 | 109.5° | 109.6° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C5 | N6 | C7 | 116.4° | 120.0° |
| C5 | N6 | S23 | 124.6° | 120.0° |
| N6 | C5 | H6 | 107.8° | 109.4° |
| N6 | C5 | H7 | 107.8° | 109.5° |
| C9 | N10 | C21 | 113.3° | 111.6° |
| N10 | C9 | C8 | 104.3° | 112.5° |
| N10 | C9 | H10 | 127.9° | 123.8° |
| N10 | C21 | O22 | 127.3° | 127.2° |
| N10 | C21 | C7 | 109.2° | 105.5° |
| C9 | C8 | C7 | 107.5° | 106.6° |
| C9 | C8 | H9 | 126.2° | 126.7° |
| C8 | C9 | H10 | 127.9° | 123.7° |
| O22 | C21 | C7 | 123.6° | 127.3° |
| C21 | C7 | C8 | 105.4° | 103.8° |
| C21 | C7 | N6 | 115.3° | 110.6° |
| C21 | C7 | H8 | 105.8° | 110.6° |
| C8 | C7 | N6 | 117.9° | 110.6° |
| C8 | C7 | H8 | 105.6° | 110.6° |
| C7 | C8 | H9 | 126.3° | 126.7° |
| C7 | N6 | S23 | 118.8° | 120.0° |
| N6 | C7 | H8 | 105.9° | 110.6° |
| N6 | S23 | O25 | 106.3° | 106.4° |
| N6 | S23 | C26 | 108.3° | 107.2° |
| N6 | S23 | O24 | 108.3° | 106.4° |
| O25 | S23 | C26 | 106.5° | 106.4° |
| O25 | S23 | O24 | 120.7° | 123.1° |
| C28 | C27 | C26 | 119.0° | 120.9° |
| C27 | C28 | C29 | 121.0° | 119.7° |
| C28 | C27 | H23 | 120.5° | 119.5° |
| C27 | C28 | H24 | 119.5° | 120.2° |
| C27 | C26 | S23 | 119.4° | 119.4° |
| C27 | C26 | C36 | 120.8° | 121.1° |
| C26 | C27 | H23 | 120.5° | 119.6° |
| C26 | S23 | O24 | 106.3° | 106.4° |
| S23 | C26 | C36 | 119.9° | 119.5° |
| C28 | C29 | C30 | 120.4° | 121.3° |
| C28 | C29 | C35 | 119.5° | 119.4° |
| C29 | C28 | H24 | 119.5° | 120.2° |
| C26 | C36 | C35 | 119.8° | 119.6° |
| C26 | C36 | H28 | 120.1° | 120.2° |
| C30 | C29 | C35 | 120.1° | 119.3° |
| C29 | C30 | C31 | 119.7° | 119.6° |
| C29 | C30 | H25 | 120.1° | 120.2° |
| C29 | C35 | C36 | 119.9° | 119.3° |
| C29 | C35 | C34 | 119.7° | 119.4° |
| C36 | C35 | C34 | 120.4° | 121.3° |
| C35 | C36 | H28 | 120.1° | 120.2° |
| C30 | C31 | CL1 | 121.0° | 119.5° |
| C30 | C31 | C33 | 120.2° | 120.9° |
| C31 | C30 | H25 | 120.1° | 120.2° |
| C35 | C34 | C33 | 120.2° | 119.7° |
| C35 | C34 | H27 | 119.9° | 120.1° |
| CL1 | C31 | C33 | 118.8° | 119.5° |
| C31 | C33 | C34 | 120.0° | 121.0° |
| C31 | C33 | H26 | 120.0° | 119.5° |
| C34 | C33 | H26 | 120.0° | 119.5° |
| C33 | C34 | H27 | 119.9° | 120.2° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.4° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H12 | C12 | H14 | 109.4° | 109.4° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.7° |
| H17 | C17 | H18 | 109.5° | 109.6° |
| H19 | C19 | H20 | 109.5° | 109.6° |
| H21 | C20 | H22 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C19 | C20 | H19 | 119.9° | 120.0° |
| O18 | C19 | C20 | H20 | 119.8° | 119.8° |
| O18 | C19 | C20 | N15 | 57.3° | 52.0° |
| C19 | O18 | C17 | C16 | 66.3° | 62.6° |
| C19 | O18 | C17 | H17 | 173.8° | 177.5° |
| C19 | O18 | C17 | H18 | 53.6° | 57.3° |
| O18 | C19 | H19 | H20 | 120.5° | 120.1° |
| O18 | C19 | C20 | H21 | 177.4° | 172.0° |
| O18 | C19 | C20 | H22 | 62.7° | 67.4° |
| C20 | C19 | O18 | C17 | 67.7° | 62.5° |
| C19 | C20 | N15 | H21 | 120.1° | 119.9° |
| C19 | C20 | N15 | H22 | 120.1° | 119.7° |
| C19 | C20 | N15 | C13 | 158.0° | 129.5° |
| C19 | C20 | N15 | C16 | 48.6° | 50.2° |
| C20 | C19 | H19 | H20 | 120.5° | 120.0° |
| C19 | C20 | H21 | H22 | 119.7° | 120.5° |
| O18 | C17 | C16 | H17 | 119.9° | 119.9° |
| O18 | C17 | C16 | H18 | 119.9° | 119.9° |
| O18 | C17 | C16 | N15 | 55.0° | 52.3° |
| O18 | C17 | C16 | H15 | 65.3° | 67.4° |
| O18 | C17 | C16 | H16 | 175.2° | 172.0° |
| O18 | C17 | H17 | H18 | 120.3° | 120.2° |
| C17 | O18 | C19 | H19 | 52.2° | 177.5° |
| C17 | O18 | C19 | H20 | 172.5° | 57.3° |
| C20 | N15 | C16 | C17 | 47.5° | 50.3° |
| C20 | N15 | C13 | C16 | 151.1° | 179.7° |
| C20 | N15 | C13 | O14 | 25.7° | 175.3° |
| C20 | N15 | C13 | C11 | 154.7° | 4.8° |
| C20 | N15 | C16 | H15 | 72.7° | 69.5° |
| C20 | N15 | C16 | H16 | 167.8° | 170.0° |
| N15 | C20 | C19 | H19 | 62.5° | 172.0° |
| N15 | C20 | C19 | H20 | 177.2° | 67.8° |
| N15 | C20 | H21 | H22 | 119.7° | 120.2° |
| C17 | C16 | N15 | C13 | 160.0° | 129.4° |
| C17 | C16 | N15 | H15 | 120.2° | 119.7° |
| C17 | C16 | N15 | H16 | 120.2° | 119.8° |
| C17 | C16 | H15 | H16 | 119.2° | 120.6° |
| C16 | C17 | H17 | H18 | 120.3° | 120.1° |
| N15 | C13 | O14 | C11 | 179.6° | 180.0° |
| N15 | C13 | C11 | N10 | 159.0° | 158.1° |
| N15 | C13 | C11 | C12 | 81.0° | 81.8° |
| N15 | C13 | C11 | H11 | 39.6° | 38.0° |
| C13 | N15 | C16 | H15 | 79.7° | 110.8° |
| C13 | N15 | C16 | H16 | 39.8° | 9.7° |
| C13 | N15 | C20 | H21 | 37.9° | 9.6° |
| C13 | N15 | C20 | H22 | 81.9° | 110.8° |
| C16 | N15 | C13 | O14 | 176.8° | 5.0° |
| C16 | N15 | C13 | C11 | 3.6° | 174.9° |
| N15 | C16 | H15 | H16 | 119.3° | 120.5° |
| N15 | C16 | C17 | H17 | 174.9° | 172.2° |
| N15 | C16 | C17 | H18 | 64.9° | 67.7° |
| C16 | N15 | C20 | H21 | 168.7° | 170.2° |
| C16 | N15 | C20 | H22 | 71.5° | 69.5° |
| O14 | C13 | C11 | N10 | 20.6° | 21.9° |
| O14 | C13 | C11 | C12 | 99.4° | 98.2° |
| O14 | C13 | C11 | H11 | 140.0° | 141.9° |
| C1 | C2 | C3 | H4 | 120.1° | 120.1° |
| C1 | C2 | C3 | H5 | 120.1° | 120.0° |
| C1 | C2 | C3 | C5 | 173.6° | 180.0° |
| C1 | C2 | C3 | O4 | 6.7° | 0.1° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 119.9° | 120.0° |
| C1 | C2 | H4 | H5 | 119.7° | 120.0° |
| C13 | C11 | N10 | C12 | 119.1° | 120.0° |
| C13 | C11 | N10 | H11 | 118.8° | 120.0° |
| C13 | C11 | C12 | H11 | 120.7° | 119.9° |
| C13 | C11 | N10 | C9 | 86.2° | 60.0° |
| C13 | C11 | N10 | C21 | 113.2° | 120.1° |
| C13 | C11 | C12 | H12 | 180.0° | 54.8° |
| C13 | C11 | C12 | H13 | 60.0° | 65.2° |
| C13 | C11 | C12 | H14 | 60.0° | 174.7° |
| C2 | C3 | C5 | O4 | 179.7° | 179.9° |
| C2 | C3 | C5 | N6 | 162.8° | 179.9° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 59.9° |
| C3 | C2 | C1 | H3 | 60.0° | 180.0° |
| C3 | C2 | H4 | H5 | 119.7° | 119.9° |
| C2 | C3 | C5 | H6 | 76.2° | 59.9° |
| C2 | C3 | C5 | H7 | 41.8° | 60.0° |
| C3 | C5 | N6 | H6 | 121.0° | 120.1° |
| C3 | C5 | N6 | H7 | 121.0° | 120.0° |
| C3 | C5 | N6 | C7 | 108.9° | 85.0° |
| C3 | C5 | N6 | S23 | 77.5° | 95.0° |
| C5 | C3 | C2 | H4 | 53.5° | 59.9° |
| C5 | C3 | C2 | H5 | 66.3° | 60.0° |
| C3 | C5 | H6 | H7 | 117.0° | 120.0° |
| O4 | C3 | C5 | N6 | 16.9° | 0.0° |
| O4 | C3 | C2 | H4 | 126.8° | 120.0° |
| O4 | C3 | C2 | H5 | 113.4° | 120.1° |
| O4 | C3 | C5 | H6 | 104.1° | 120.0° |
| O4 | C3 | C5 | H7 | 137.9° | 120.1° |
| N10 | C11 | C12 | H11 | 122.7° | 120.0° |
| C11 | N10 | C9 | C21 | 162.2° | 179.9° |
| C11 | N10 | C9 | C8 | 163.8° | 180.0° |
| C11 | N10 | C21 | O22 | 19.9° | 0.1° |
| C11 | N10 | C21 | C7 | 159.6° | 179.9° |
| C11 | N10 | C9 | H10 | 16.3° | 0.0° |
| N10 | C11 | C12 | H12 | 63.3° | 65.2° |
| N10 | C11 | C12 | H13 | 56.7° | 174.7° |
| N10 | C11 | C12 | H14 | 176.7° | 54.7° |
| C12 | C11 | N10 | C9 | 32.9° | 60.0° |
| C12 | C11 | N10 | C21 | 127.7° | 119.9° |
| C11 | C12 | H12 | H13 | 120.0° | 120.1° |
| C11 | C12 | H12 | H14 | 120.0° | 119.9° |
| C11 | C12 | H13 | H14 | 120.0° | 120.1° |
| C5 | N6 | C7 | C21 | 54.7° | 57.9° |
| C5 | N6 | C7 | C8 | 70.9° | 56.5° |
| C5 | N6 | C7 | S23 | 174.0° | 180.0° |
| C5 | N6 | S23 | O25 | 13.5° | 23.5° |
| C5 | N6 | S23 | C26 | 100.6° | 90.0° |
| C5 | N6 | S23 | O24 | 144.6° | 156.5° |
| N6 | C5 | H6 | H7 | 117.0° | 119.9° |
| C5 | N6 | C7 | H8 | 171.3° | 179.3° |
| N10 | C9 | C8 | H10 | 180.0° | 180.0° |
| C9 | N10 | C21 | O22 | 177.9° | 179.9° |
| C9 | N10 | C21 | C7 | 2.6° | 0.1° |
| N10 | C9 | C8 | C7 | 5.1° | 0.0° |
| N10 | C9 | C8 | H9 | 174.9° | 180.0° |
| C9 | N10 | C11 | H11 | 155.0° | 180.0° |
| C21 | N10 | C9 | C8 | 1.6° | 0.1° |
| N10 | C21 | O22 | C7 | 179.4° | 179.7° |
| N10 | C21 | C7 | C8 | 5.7° | 0.1° |
| N10 | C21 | C7 | N6 | 137.5° | 118.5° |
| N10 | C21 | C7 | H8 | 105.8° | 118.8° |
| C21 | N10 | C9 | H10 | 178.4° | 179.9° |
| C21 | N10 | C11 | H11 | 5.6° | 0.1° |
| C9 | C8 | C7 | C21 | 6.6° | 0.1° |
| C9 | C8 | C7 | H9 | 180.0° | 180.0° |
| C9 | C8 | C7 | N6 | 136.9° | 118.5° |
| C9 | C8 | C7 | H8 | 105.1° | 118.7° |
| O22 | C21 | C7 | C8 | 174.8° | 179.9° |
| O22 | C21 | C7 | N6 | 42.9° | 61.3° |
| O22 | C21 | C7 | H8 | 73.7° | 61.5° |
| C21 | C7 | C8 | N6 | 130.3° | 118.6° |
| C21 | C7 | C8 | H8 | 111.7° | 118.6° |
| C21 | C7 | N6 | H8 | 116.6° | 122.8° |
| C21 | C7 | N6 | S23 | 119.3° | 122.1° |
| C21 | C7 | C8 | H9 | 173.4° | 179.9° |
| C8 | C7 | N6 | H8 | 117.8° | 122.8° |
| C8 | C7 | N6 | S23 | 115.1° | 123.5° |
| C7 | C8 | C9 | H10 | 174.9° | 180.0° |
| C7 | N6 | S23 | O25 | 173.0° | 156.5° |
| C7 | N6 | S23 | C26 | 72.9° | 90.0° |
| C7 | N6 | S23 | O24 | 42.0° | 23.5° |
| C7 | N6 | C5 | H6 | 12.1° | 35.1° |
| C7 | N6 | C5 | H7 | 130.2° | 155.0° |
| N6 | C7 | C8 | H9 | 43.1° | 61.5° |
| N6 | S23 | O25 | C26 | 115.3° | 114.1° |
| N6 | S23 | O25 | O24 | 123.6° | 123.0° |
| N6 | S23 | C26 | C27 | 65.8° | 89.7° |
| N6 | S23 | C26 | O24 | 116.2° | 113.5° |
| N6 | S23 | C26 | C36 | 113.8° | 90.0° |
| S23 | N6 | C5 | H6 | 161.5° | 144.9° |
| S23 | N6 | C5 | H7 | 43.5° | 25.0° |
| S23 | N6 | C7 | H8 | 2.7° | 0.7° |
| O25 | S23 | C26 | C27 | 48.1° | 23.8° |
| O25 | S23 | C26 | O24 | 129.9° | 132.9° |
| O25 | S23 | C26 | C36 | 132.3° | 156.4° |
| C28 | C27 | C26 | H23 | 180.0° | 179.9° |
| C28 | C27 | C26 | S23 | 179.6° | 180.0° |
| C27 | C28 | C29 | H24 | 180.0° | 180.0° |
| C28 | C27 | C26 | C36 | 0.0° | 0.3° |
| C27 | C28 | C29 | C30 | 179.8° | 179.9° |
| C27 | C28 | C29 | C35 | 0.3° | 0.0° |
| C27 | C26 | S23 | C36 | 179.6° | 179.7° |
| C27 | C26 | S23 | O24 | 178.0° | 156.7° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C27 | C26 | C36 | C35 | 0.1° | 0.5° |
| C26 | C27 | C28 | H24 | 179.9° | 180.0° |
| C27 | C26 | C36 | H28 | 179.9° | 179.8° |
| S23 | C26 | C36 | C35 | 179.5° | 179.8° |
| S23 | C26 | C27 | H23 | 0.4° | 0.1° |
| S23 | C26 | C36 | H28 | 0.5° | 0.0° |
| O24 | S23 | C26 | C36 | 2.4° | 23.5° |
| C28 | C29 | C30 | C35 | 180.0° | 180.0° |
| C28 | C29 | C35 | C36 | 0.2° | 0.2° |
| C28 | C29 | C30 | C31 | 179.9° | 180.0° |
| C28 | C29 | C35 | C34 | 180.0° | 180.0° |
| C29 | C28 | C27 | H23 | 179.9° | 180.0° |
| C28 | C29 | C30 | H25 | 0.1° | 0.0° |
| C26 | C36 | C35 | C29 | 0.1° | 0.5° |
| C26 | C36 | C35 | H28 | 180.0° | 179.7° |
| C26 | C36 | C35 | C34 | 179.8° | 179.8° |
| C36 | C26 | C27 | H23 | 180.0° | 179.8° |
| C30 | C29 | C35 | C36 | 179.8° | 179.7° |
| C29 | C30 | C31 | H25 | 180.0° | 180.0° |
| C30 | C29 | C35 | C34 | 0.1° | 0.0° |
| C29 | C30 | C31 | CL1 | 179.4° | 180.0° |
| C29 | C30 | C31 | C33 | 0.0° | 0.0° |
| C30 | C29 | C28 | H24 | 0.2° | 0.1° |
| C29 | C35 | C36 | C34 | 179.7° | 179.7° |
| C35 | C29 | C30 | C31 | 0.0° | 0.0° |
| C29 | C35 | C34 | C33 | 0.2° | 0.0° |
| C35 | C29 | C28 | H24 | 179.7° | 180.0° |
| C35 | C29 | C30 | H25 | 180.0° | 180.0° |
| C29 | C35 | C34 | H27 | 179.8° | 179.9° |
| C29 | C35 | C36 | H28 | 179.9° | 179.8° |
| C36 | C35 | C34 | C33 | 179.9° | 179.7° |
| C36 | C35 | C34 | H27 | 0.1° | 0.4° |
| C30 | C31 | CL1 | C33 | 179.4° | 180.0° |
| C30 | C31 | C33 | C34 | 0.0° | 0.0° |
| C30 | C31 | C33 | H26 | 179.9° | 179.9° |
| C35 | C34 | C33 | C31 | 0.1° | 0.1° |
| C35 | C34 | C33 | H27 | 180.0° | 180.0° |
| C35 | C34 | C33 | H26 | 179.8° | 180.0° |
| C34 | C35 | C36 | H28 | 0.2° | 0.0° |
| CL1 | C31 | C33 | C34 | 179.4° | 180.0° |
| CL1 | C31 | C30 | H25 | 0.5° | 0.0° |
| CL1 | C31 | C33 | H26 | 0.6° | 0.1° |
| C31 | C33 | C34 | H26 | 180.0° | 179.9° |
| C33 | C31 | C30 | H25 | 179.9° | 180.0° |
| C31 | C33 | C34 | H27 | 179.9° | 179.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.9° | 60.0° |
| H1 | C1 | C2 | H5 | 59.9° | 180.0° |
| H2 | C1 | C2 | H4 | 60.1° | 180.0° |
| H2 | C1 | C2 | H5 | 179.9° | 60.0° |
| H3 | C1 | C2 | H4 | 179.9° | 60.0° |
| H3 | C1 | C2 | H5 | 60.1° | 60.0° |
| H8 | C7 | C8 | H9 | 74.9° | 61.3° |
| H9 | C8 | C9 | H10 | 5.1° | 0.0° |
| H11 | C11 | C12 | H12 | 59.3° | 174.7° |
| H11 | C11 | C12 | H13 | 179.3° | 54.7° |
| H11 | C11 | C12 | H14 | 60.6° | 65.4° |
| H12 | C12 | H13 | H14 | 120.0° | 119.9° |
| H15 | C16 | C17 | H17 | 54.7° | 52.5° |
| H15 | C16 | C17 | H18 | 174.9° | 172.6° |
| H16 | C16 | C17 | H17 | 64.9° | 68.1° |
| H16 | C16 | C17 | H18 | 55.3° | 52.0° |
| H19 | C19 | C20 | H21 | 57.6° | 68.0° |
| H19 | C19 | C20 | H22 | 177.4° | 52.5° |
| H20 | C19 | C20 | H21 | 62.7° | 52.2° |
| H20 | C19 | C20 | H22 | 57.1° | 172.7° |
| H23 | C27 | C28 | H24 | 0.2° | 0.0° |
| H26 | C33 | C34 | H27 | 0.2° | 0.0° |
