Z7I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C15 | doub | 1.21Å | 1.23Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C21 | C17 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C15 | N2 | sing | 1.35Å | 1.35Å | |
| CL2 | C12 | sing | 1.74Å | 1.73Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| N2 | C10 | sing | 1.40Å | 1.41Å | |
| C20 | N3 | sing | 1.47Å | 1.48Å | |
| C12 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | O1 | sing | 1.36Å | 1.39Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C19 | sing | 1.47Å | 1.48Å | |
| N3 | S1 | sing | 1.66Å | 1.63Å | |
| O4 | S1 | doub | 1.42Å | 1.43Å | |
| O1 | C4 | sing | 1.36Å | 1.38Å | |
| C8 | CL1 | sing | 1.74Å | 1.74Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | C1 | sing | 1.51Å | 1.52Å | |
| C6 | C14 | sing | 1.53Å | 1.52Å | |
| S1 | C22 | sing | 1.81Å | 1.75Å | |
| S1 | O3 | doub | 1.42Å | 1.43Å | |
| C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.32Å | Aromatic |
| C2 | O5 | sing | 1.36Å | 1.36Å | |
| O5 | C23 | sing | 1.43Å | 1.43Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | 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 | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C15 | C16 | 121.3° | 120.0° |
| O2 | C15 | N2 | 124.1° | 120.0° |
| C15 | C16 | C17 | 110.2° | 109.5° |
| C16 | C15 | N2 | 114.6° | 120.0° |
| C15 | C16 | H13 | 109.3° | 109.5° |
| C15 | C16 | H14 | 109.3° | 109.4° |
| C16 | C17 | C21 | 112.3° | 109.4° |
| C16 | C17 | C18 | 111.7° | 109.4° |
| C17 | C16 | H13 | 109.3° | 109.4° |
| C17 | C16 | H14 | 109.3° | 109.4° |
| C16 | C17 | H15 | 107.6° | 109.5° |
| C17 | C21 | C20 | 109.2° | 109.3° |
| C21 | C17 | C18 | 110.0° | 109.6° |
| C21 | C17 | H15 | 107.5° | 109.5° |
| C17 | C21 | H22 | 109.5° | 109.5° |
| C17 | C21 | H23 | 109.5° | 109.5° |
| C21 | C20 | N3 | 111.1° | 108.8° |
| C21 | C20 | H20 | 109.1° | 109.6° |
| C21 | C20 | H21 | 109.1° | 109.7° |
| C20 | C21 | H22 | 109.6° | 109.5° |
| C20 | C21 | H23 | 109.5° | 109.5° |
| C15 | N2 | C10 | 127.5° | 120.0° |
| C15 | N2 | H6 | 116.2° | 120.0° |
| CL2 | C12 | C11 | 118.3° | 119.9° |
| CL2 | C12 | C7 | 120.0° | 120.0° |
| C12 | C11 | C10 | 119.6° | 119.9° |
| C11 | C12 | C7 | 121.7° | 120.1° |
| C12 | C11 | H5 | 120.2° | 120.1° |
| C11 | C10 | N2 | 119.7° | 120.0° |
| C11 | C10 | C9 | 119.7° | 120.0° |
| C10 | C11 | H5 | 120.2° | 120.0° |
| C17 | C18 | C19 | 110.1° | 109.3° |
| C18 | C17 | H15 | 107.4° | 109.5° |
| C17 | C18 | H16 | 109.3° | 109.5° |
| C17 | C18 | H17 | 109.3° | 109.5° |
| N2 | C10 | C9 | 120.6° | 120.0° |
| C10 | N2 | H6 | 116.3° | 120.0° |
| C20 | N3 | C19 | 112.7° | 118.7° |
| C20 | N3 | S1 | 114.9° | 120.6° |
| N3 | C20 | H20 | 109.1° | 109.6° |
| N3 | C20 | H21 | 109.1° | 109.6° |
| C12 | C7 | O1 | 122.5° | 120.1° |
| C12 | C7 | C8 | 118.0° | 120.0° |
| C10 | C9 | C8 | 119.5° | 120.0° |
| C10 | C9 | H4 | 120.2° | 120.0° |
| C13 | C6 | C1 | 113.3° | 109.5° |
| C13 | C6 | C14 | 110.3° | 109.5° |
| C13 | C6 | H3 | 107.0° | 109.5° |
| C6 | C13 | H7 | 109.5° | 109.5° |
| C6 | C13 | H8 | 109.5° | 109.4° |
| C6 | C13 | H9 | 109.5° | 109.5° |
| O1 | C7 | C8 | 119.5° | 120.0° |
| C7 | O1 | C4 | 120.7° | 118.0° |
| C7 | C8 | C9 | 121.5° | 120.0° |
| C7 | C8 | CL1 | 119.4° | 120.0° |
| C18 | C19 | N3 | 110.0° | 108.8° |
| C19 | C18 | H16 | 109.3° | 109.5° |
| C19 | C18 | H17 | 109.3° | 109.5° |
| C18 | C19 | H18 | 109.3° | 109.6° |
| C18 | C19 | H19 | 109.3° | 109.6° |
| C9 | C8 | CL1 | 119.1° | 120.0° |
| C8 | C9 | H4 | 120.3° | 120.0° |
| C19 | N3 | S1 | 115.7° | 120.7° |
| N3 | C19 | H18 | 109.4° | 109.6° |
| N3 | C19 | H19 | 109.4° | 109.7° |
| N3 | S1 | O4 | 106.6° | 104.3° |
| N3 | S1 | C22 | 107.1° | 104.5° |
| N3 | S1 | O3 | 107.1° | 104.3° |
| O4 | S1 | C22 | 108.3° | 110.5° |
| O4 | S1 | O3 | 119.0° | 121.0° |
| O1 | C4 | C5 | 121.7° | 120.4° |
| O1 | C4 | C3 | 118.9° | 120.4° |
| C4 | C5 | C1 | 119.7° | 118.4° |
| C5 | C4 | C3 | 119.4° | 119.2° |
| C4 | C5 | H2 | 120.2° | 120.8° |
| C5 | C1 | C6 | 119.5° | 120.4° |
| C5 | C1 | C2 | 115.5° | 119.2° |
| C1 | C5 | H2 | 120.1° | 120.8° |
| C4 | C3 | N1 | 122.7° | 120.7° |
| C4 | C3 | H1 | 118.6° | 119.6° |
| C1 | C6 | C14 | 111.8° | 109.5° |
| C6 | C1 | C2 | 125.1° | 120.4° |
| C1 | C6 | H3 | 107.0° | 109.5° |
| C14 | C6 | H3 | 107.0° | 109.5° |
| C6 | C14 | H10 | 109.5° | 109.5° |
| C6 | C14 | H11 | 109.5° | 109.5° |
| C6 | C14 | H12 | 109.5° | 109.4° |
| C22 | S1 | O3 | 108.2° | 110.5° |
| S1 | C22 | H24 | 109.5° | 109.5° |
| S1 | C22 | H25 | 109.4° | 109.5° |
| S1 | C22 | H26 | 109.5° | 109.5° |
| C1 | C2 | N1 | 125.0° | 120.8° |
| C1 | C2 | O5 | 114.0° | 119.6° |
| C3 | N1 | C2 | 117.7° | 121.7° |
| N1 | C3 | H1 | 118.7° | 119.7° |
| N1 | C2 | O5 | 121.0° | 119.7° |
| C2 | O5 | C23 | 117.9° | 117.0° |
| O5 | C23 | H27 | 109.5° | 109.5° |
| O5 | C23 | H28 | 109.5° | 109.5° |
| O5 | C23 | H29 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.4° |
| H7 | C13 | H9 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.4° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H12 | 109.4° | 109.6° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.4° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.6° |
| H20 | C20 | H21 | 109.4° | 109.6° |
| H22 | C21 | H23 | 109.4° | 109.5° |
| H24 | C22 | H25 | 109.4° | 109.5° |
| H24 | C22 | H26 | 109.5° | 109.4° |
| H25 | C22 | H26 | 109.5° | 109.4° |
| H27 | C23 | H28 | 109.4° | 109.5° |
| H27 | C23 | H29 | 109.5° | 109.5° |
| H28 | C23 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C15 | C16 | N2 | 179.6° | 179.9° |
| O2 | C15 | C16 | C17 | 71.0° | 0.1° |
| O2 | C15 | N2 | C10 | 1.6° | 5.3° |
| O2 | C15 | N2 | H6 | 178.4° | 174.7° |
| O2 | C15 | C16 | H13 | 49.1° | 119.9° |
| O2 | C15 | C16 | H14 | 168.9° | 120.0° |
| C15 | C16 | C17 | H13 | 120.1° | 120.1° |
| C15 | C16 | C17 | H14 | 120.1° | 119.9° |
| C15 | C16 | C17 | C21 | 157.8° | 65.0° |
| C15 | C16 | C17 | C18 | 78.0° | 175.0° |
| C16 | C15 | N2 | C10 | 178.0° | 174.8° |
| C16 | C15 | N2 | H6 | 2.0° | 5.2° |
| C15 | C16 | H13 | H14 | 119.6° | 120.0° |
| C15 | C16 | C17 | H15 | 39.7° | 55.0° |
| C16 | C17 | C21 | C18 | 125.1° | 120.0° |
| C16 | C17 | C21 | H15 | 118.2° | 120.0° |
| C16 | C17 | C21 | C20 | 177.4° | 178.6° |
| C17 | C16 | C15 | N2 | 108.6° | 180.0° |
| C16 | C17 | C18 | H15 | 117.8° | 120.0° |
| C16 | C17 | C18 | C19 | 176.3° | 178.6° |
| C17 | C16 | H13 | H14 | 119.7° | 119.9° |
| C16 | C17 | C18 | H16 | 63.6° | 61.4° |
| C16 | C17 | C18 | H17 | 56.2° | 58.7° |
| C16 | C17 | C21 | H22 | 57.5° | 58.7° |
| C16 | C17 | C21 | H23 | 62.6° | 61.4° |
| C17 | C21 | C20 | H22 | 120.0° | 120.0° |
| C17 | C21 | C20 | H23 | 120.0° | 120.0° |
| C21 | C17 | C18 | H15 | 116.8° | 120.0° |
| C17 | C21 | C20 | N3 | 56.6° | 54.6° |
| C21 | C17 | C18 | C19 | 58.2° | 61.4° |
| C21 | C17 | C16 | H13 | 37.7° | 55.1° |
| C21 | C17 | C16 | H14 | 82.1° | 175.1° |
| C21 | C17 | C18 | H16 | 61.9° | 58.5° |
| C21 | C17 | C18 | H17 | 178.4° | 178.7° |
| C17 | C21 | C20 | H20 | 63.6° | 174.4° |
| C17 | C21 | C20 | H21 | 176.9° | 65.2° |
| C17 | C21 | H22 | H23 | 120.1° | 120.1° |
| C20 | C21 | C17 | C18 | 57.4° | 61.4° |
| C21 | C20 | N3 | H20 | 120.2° | 119.8° |
| C21 | C20 | N3 | H21 | 120.3° | 119.9° |
| C21 | C20 | N3 | C19 | 57.5° | 53.6° |
| C21 | C20 | N3 | S1 | 167.1° | 126.4° |
| C20 | C21 | C17 | H15 | 59.3° | 58.7° |
| C21 | C20 | H20 | H21 | 119.3° | 120.5° |
| C20 | C21 | H22 | H23 | 120.1° | 120.0° |
| C15 | N2 | C10 | C11 | 20.8° | 146.8° |
| C15 | N2 | C10 | H6 | 180.0° | 180.0° |
| C15 | N2 | C10 | C9 | 159.4° | 33.3° |
| N2 | C15 | C16 | H13 | 131.3° | 60.0° |
| N2 | C15 | C16 | H14 | 11.5° | 60.1° |
| CL2 | C12 | C11 | C7 | 178.9° | 179.5° |
| CL2 | C12 | C11 | C10 | 178.6° | 179.9° |
| CL2 | C12 | C7 | O1 | 4.6° | 0.2° |
| CL2 | C12 | C7 | C8 | 177.6° | 179.9° |
| CL2 | C12 | C11 | H5 | 1.4° | 0.5° |
| C12 | C11 | C10 | H5 | 180.0° | 179.4° |
| C12 | C11 | C10 | N2 | 179.3° | 179.8° |
| C12 | C11 | C10 | C9 | 0.5° | 0.3° |
| C11 | C12 | C7 | O1 | 176.6° | 179.7° |
| C11 | C12 | C7 | C8 | 1.3° | 0.6° |
| C11 | C10 | N2 | C9 | 179.7° | 179.9° |
| C10 | C11 | C12 | C7 | 0.3° | 0.6° |
| C11 | C10 | C9 | C8 | 0.3° | 0.1° |
| C11 | C10 | C9 | H4 | 179.7° | 180.0° |
| C11 | C10 | N2 | H6 | 159.2° | 33.3° |
| C17 | C18 | C19 | H16 | 120.1° | 120.0° |
| C17 | C18 | C19 | H17 | 120.1° | 119.9° |
| C17 | C18 | C19 | N3 | 57.1° | 54.7° |
| C18 | C17 | C16 | H13 | 161.9° | 65.0° |
| C18 | C17 | C16 | H14 | 42.1° | 55.1° |
| C17 | C18 | H16 | H17 | 119.7° | 120.1° |
| C17 | C18 | C19 | H18 | 177.2° | 174.5° |
| C17 | C18 | C19 | H19 | 63.0° | 65.3° |
| C18 | C17 | C21 | H22 | 177.4° | 178.6° |
| C18 | C17 | C21 | H23 | 62.5° | 58.5° |
| N2 | C10 | C9 | C8 | 179.5° | 180.0° |
| N2 | C10 | C9 | H4 | 0.5° | 0.1° |
| N2 | C10 | C11 | H5 | 0.7° | 0.4° |
| C20 | N3 | C19 | C18 | 57.2° | 53.6° |
| C20 | N3 | C19 | S1 | 135.0° | 180.0° |
| C20 | N3 | S1 | O4 | 37.9° | 153.9° |
| C20 | N3 | S1 | C22 | 77.9° | 90.0° |
| C20 | N3 | S1 | O3 | 166.2° | 26.1° |
| C20 | N3 | C19 | H18 | 177.3° | 173.4° |
| C20 | N3 | C19 | H19 | 62.8° | 66.2° |
| N3 | C20 | H20 | H21 | 119.3° | 120.3° |
| N3 | C20 | C21 | H22 | 176.6° | 174.6° |
| N3 | C20 | C21 | H23 | 63.4° | 65.3° |
| C12 | C7 | O1 | C8 | 177.8° | 179.8° |
| C12 | C7 | C8 | C9 | 1.5° | 0.3° |
| C12 | C7 | O1 | C4 | 69.8° | 90.2° |
| C12 | C7 | C8 | CL1 | 177.1° | 179.8° |
| C7 | C12 | C11 | H5 | 179.7° | 180.0° |
| C10 | C9 | C8 | C7 | 0.7° | 0.1° |
| C10 | C9 | C8 | H4 | 180.0° | 179.9° |
| C10 | C9 | C8 | CL1 | 177.8° | 180.0° |
| C9 | C10 | C11 | H5 | 179.5° | 179.7° |
| C9 | C10 | N2 | H6 | 20.6° | 146.6° |
| C13 | C6 | C1 | C5 | 48.8° | 60.2° |
| C13 | C6 | C1 | C14 | 125.4° | 120.0° |
| C13 | C6 | C1 | H3 | 117.7° | 120.0° |
| C13 | C6 | C14 | H3 | 116.1° | 120.0° |
| C13 | C6 | C1 | C2 | 131.5° | 120.0° |
| C6 | C13 | H7 | H8 | 120.0° | 119.9° |
| C6 | C13 | H7 | H9 | 120.0° | 120.1° |
| C6 | C13 | H8 | H9 | 120.0° | 120.0° |
| C13 | C6 | C14 | H10 | 180.0° | 180.0° |
| C13 | C6 | C14 | H11 | 60.0° | 60.0° |
| C13 | C6 | C14 | H12 | 60.0° | 60.0° |
| O1 | C7 | C8 | C9 | 176.4° | 179.9° |
| O1 | C7 | C8 | CL1 | 5.0° | 0.0° |
| C7 | O1 | C4 | C5 | 139.0° | 180.0° |
| C7 | O1 | C4 | C3 | 41.2° | 0.1° |
| C7 | C8 | C9 | CL1 | 178.5° | 179.9° |
| C8 | C7 | O1 | C4 | 112.4° | 90.0° |
| C7 | C8 | C9 | H4 | 179.3° | 180.0° |
| C18 | C19 | N3 | H18 | 120.1° | 119.8° |
| C18 | C19 | N3 | H19 | 120.0° | 119.9° |
| C18 | C19 | N3 | S1 | 167.8° | 126.4° |
| C19 | C18 | C17 | H15 | 58.5° | 58.6° |
| C19 | C18 | H16 | H17 | 119.8° | 120.1° |
| C18 | C19 | H18 | H19 | 119.8° | 120.2° |
| C19 | N3 | S1 | O4 | 171.9° | 26.1° |
| C19 | N3 | S1 | C22 | 56.2° | 90.0° |
| C19 | N3 | S1 | O3 | 59.8° | 154.0° |
| N3 | C19 | C18 | H16 | 63.0° | 65.3° |
| N3 | C19 | C18 | H17 | 177.2° | 174.6° |
| N3 | C19 | H18 | H19 | 119.8° | 120.5° |
| C19 | N3 | C20 | H20 | 62.7° | 173.4° |
| C19 | N3 | C20 | H21 | 177.8° | 66.3° |
| N3 | S1 | O4 | C22 | 115.0° | 111.8° |
| N3 | S1 | O4 | O3 | 121.0° | 116.7° |
| N3 | S1 | C22 | O3 | 115.2° | 111.6° |
| S1 | N3 | C19 | H18 | 47.7° | 6.6° |
| S1 | N3 | C19 | H19 | 72.2° | 113.7° |
| S1 | N3 | C20 | H20 | 72.7° | 6.6° |
| S1 | N3 | C20 | H21 | 46.8° | 113.7° |
| N3 | S1 | C22 | H24 | 180.0° | 60.0° |
| N3 | S1 | C22 | H25 | 60.0° | 179.9° |
| N3 | S1 | C22 | H26 | 60.0° | 60.0° |
| O4 | S1 | C22 | O3 | 130.2° | 136.7° |
| O4 | S1 | C22 | H24 | 65.4° | 171.6° |
| O4 | S1 | C22 | H25 | 174.6° | 68.3° |
| O4 | S1 | C22 | H26 | 54.6° | 51.6° |
| O1 | C4 | C5 | C3 | 179.8° | 179.9° |
| O1 | C4 | C5 | C1 | 179.7° | 179.9° |
| O1 | C4 | C3 | N1 | 179.7° | 180.0° |
| O1 | C4 | C3 | H1 | 0.3° | 0.2° |
| O1 | C4 | C5 | H2 | 0.3° | 0.0° |
| CL1 | C8 | C9 | H4 | 2.2° | 0.1° |
| C4 | C5 | C1 | H2 | 180.0° | 180.0° |
| C4 | C5 | C1 | C6 | 179.6° | 179.8° |
| C4 | C5 | C1 | C2 | 0.1° | 0.0° |
| C5 | C4 | C3 | N1 | 0.0° | 0.1° |
| C5 | C4 | C3 | H1 | 180.0° | 180.0° |
| C1 | C5 | C4 | C3 | 0.1° | 0.1° |
| C5 | C1 | C6 | C2 | 179.7° | 179.8° |
| C5 | C1 | C6 | C14 | 76.6° | 59.8° |
| C5 | C1 | C2 | N1 | 0.0° | 0.0° |
| C5 | C1 | C2 | O5 | 180.0° | 179.9° |
| C5 | C1 | C6 | H3 | 166.6° | 179.8° |
| C4 | C3 | N1 | H1 | 180.0° | 179.9° |
| C4 | C3 | N1 | C2 | 0.0° | 0.1° |
| C3 | C4 | C5 | H2 | 179.9° | 179.9° |
| C1 | C6 | C14 | H3 | 116.9° | 120.0° |
| C6 | C1 | C2 | N1 | 179.7° | 179.8° |
| C6 | C1 | C2 | O5 | 0.4° | 0.3° |
| C6 | C1 | C5 | H2 | 0.4° | 0.2° |
| C1 | C6 | C13 | H7 | 180.0° | 180.0° |
| C1 | C6 | C13 | H8 | 60.0° | 60.0° |
| C1 | C6 | C13 | H9 | 60.0° | 59.9° |
| C1 | C6 | C14 | H10 | 53.0° | 60.0° |
| C1 | C6 | C14 | H11 | 67.1° | 180.0° |
| C1 | C6 | C14 | H12 | 173.0° | 60.0° |
| C14 | C6 | C1 | C2 | 103.1° | 120.0° |
| C14 | C6 | C13 | H7 | 53.8° | 60.0° |
| C14 | C6 | C13 | H8 | 66.2° | 180.0° |
| C14 | C6 | C13 | H9 | 173.8° | 60.0° |
| C6 | C14 | H10 | H11 | 120.0° | 120.0° |
| C6 | C14 | H10 | H12 | 120.0° | 120.0° |
| C6 | C14 | H11 | H12 | 120.0° | 119.9° |
| S1 | C22 | H24 | H25 | 120.0° | 120.1° |
| S1 | C22 | H24 | H26 | 120.0° | 120.0° |
| S1 | C22 | H25 | H26 | 120.0° | 120.0° |
| O3 | S1 | C22 | H24 | 64.8° | 51.7° |
| O3 | S1 | C22 | H25 | 55.2° | 68.4° |
| O3 | S1 | C22 | H26 | 175.2° | 171.6° |
| C1 | C2 | N1 | C3 | 0.1° | 0.0° |
| C1 | C2 | N1 | O5 | 180.0° | 179.9° |
| C1 | C2 | O5 | C23 | 176.2° | 180.0° |
| C2 | C1 | C5 | H2 | 179.9° | 180.0° |
| C2 | C1 | C6 | H3 | 13.8° | 0.0° |
| C3 | N1 | C2 | O5 | 180.0° | 180.0° |
| N1 | C2 | O5 | C23 | 3.8° | 0.1° |
| C2 | N1 | C3 | H1 | 179.9° | 180.0° |
| C2 | O5 | C23 | H27 | 180.0° | 60.0° |
| C2 | O5 | C23 | H28 | 60.0° | 60.0° |
| C2 | O5 | C23 | H29 | 60.0° | 180.0° |
| O5 | C23 | H27 | H28 | 120.0° | 120.0° |
| O5 | C23 | H27 | H29 | 120.0° | 120.0° |
| O5 | C23 | H28 | H29 | 120.0° | 120.0° |
| H3 | C6 | C13 | H7 | 62.3° | 59.9° |
| H3 | C6 | C13 | H8 | 177.7° | 60.0° |
| H3 | C6 | C13 | H9 | 57.7° | 180.0° |
| H3 | C6 | C14 | H10 | 63.9° | 60.0° |
| H3 | C6 | C14 | H11 | 176.1° | 60.0° |
| H3 | C6 | C14 | H12 | 56.1° | 179.9° |
| H7 | C13 | H8 | H9 | 120.0° | 120.0° |
| H10 | C14 | H11 | H12 | 119.9° | 120.1° |
| H13 | C16 | C17 | H15 | 80.4° | 175.0° |
| H14 | C16 | C17 | H15 | 159.8° | 64.9° |
| H15 | C17 | C18 | H16 | 178.7° | 178.6° |
| H15 | C17 | C18 | H17 | 61.6° | 61.3° |
| H15 | C17 | C21 | H22 | 60.7° | 61.3° |
| H15 | C17 | C21 | H23 | 179.3° | 178.6° |
| H16 | C18 | C19 | H18 | 57.1° | 54.5° |
| H16 | C18 | C19 | H19 | 176.9° | 174.7° |
| H17 | C18 | C19 | H18 | 62.7° | 65.6° |
| H17 | C18 | C19 | H19 | 57.1° | 54.7° |
| H20 | C20 | C21 | H22 | 56.4° | 65.6° |
| H20 | C20 | C21 | H23 | 176.4° | 54.5° |
| H21 | C20 | C21 | H22 | 63.1° | 54.8° |
| H21 | C20 | C21 | H23 | 56.9° | 174.9° |
| H24 | C22 | H25 | H26 | 120.0° | 120.0° |
| H27 | C23 | H28 | H29 | 120.0° | 120.0° |
