EBK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | N2 | sing | 1.47Å | 1.45Å | |
| N2 | C8 | sing | 1.47Å | 1.49Å | |
| N2 | C9 | sing | 1.47Å | 1.49Å | |
| C8 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | N4 | sing | 1.47Å | 1.41Å | |
| C10 | N4 | sing | 1.47Å | 1.43Å | |
| N4 | C18 | sing | 1.39Å | 1.50Å | |
| C18 | C7 | doub | 1.39Å | 1.36Å | Aromatic |
| C18 | N | sing | 1.33Å | 1.48Å | Aromatic |
| C7 | C16 | sing | 1.40Å | 1.50Å | Aromatic |
| N | C3 | doub | 1.32Å | 1.31Å | Aromatic |
| C2 | N5 | sing | 1.47Å | 1.49Å | |
| CL | C14 | sing | 1.74Å | 1.79Å | |
| C3 | C4 | sing | 1.38Å | 1.54Å | Aromatic |
| C16 | C4 | doub | 1.40Å | 1.31Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.58Å | |
| C5 | C14 | doub | 1.38Å | 1.53Å | Aromatic |
| C5 | C17 | sing | 1.39Å | 1.32Å | Aromatic |
| N1 | N5 | sing | 1.40Å | 1.29Å | Aromatic |
| N1 | C12 | doub | 1.31Å | 1.36Å | Aromatic |
| N5 | C13 | sing | 1.36Å | 1.37Å | Aromatic |
| C14 | C20 | sing | 1.38Å | 1.29Å | Aromatic |
| C17 | C6 | doub | 1.39Å | 1.52Å | Aromatic |
| C12 | C | sing | 1.51Å | 1.55Å | |
| C12 | C19 | sing | 1.40Å | 1.56Å | Aromatic |
| C13 | C1 | sing | 1.51Å | 1.53Å | |
| C13 | C19 | doub | 1.36Å | 1.47Å | Aromatic |
| C20 | C15 | doub | 1.38Å | 1.52Å | Aromatic |
| C20 | S | sing | 1.76Å | 1.86Å | |
| C19 | N3 | sing | 1.41Å | 1.48Å | |
| O1 | S | doub | 1.42Å | 1.48Å | |
| C6 | C15 | sing | 1.38Å | 1.32Å | Aromatic |
| C15 | CL1 | sing | 1.74Å | 1.74Å | |
| S | N3 | sing | 1.66Å | 1.72Å | |
| S | O | doub | 1.42Å | 1.47Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C10 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | N2 | C8 | 111.1° | 111.0° |
| C21 | N2 | C9 | 108.5° | 111.0° |
| N2 | C21 | H8 | 109.5° | 109.5° |
| N2 | C21 | H9 | 109.5° | 109.5° |
| N2 | C21 | H10 | 109.5° | 109.5° |
| C8 | N2 | C9 | 110.3° | 110.9° |
| N2 | C8 | C10 | 117.9° | 109.4° |
| N2 | C8 | H6 | 107.3° | 109.5° |
| N2 | C8 | H25 | 107.3° | 109.5° |
| N2 | C9 | C11 | 107.7° | 109.4° |
| N2 | C9 | H21 | 109.9° | 109.5° |
| N2 | C9 | H22 | 109.9° | 109.5° |
| C8 | C10 | N4 | 116.0° | 109.4° |
| C10 | C8 | H6 | 107.3° | 109.5° |
| C8 | C10 | H7 | 107.8° | 109.4° |
| C10 | C8 | H25 | 107.3° | 109.5° |
| C8 | C10 | H26 | 107.8° | 109.5° |
| C9 | C11 | N4 | 106.3° | 109.4° |
| C11 | C9 | H21 | 109.9° | 109.5° |
| C11 | C9 | H22 | 109.9° | 109.5° |
| C9 | C11 | H23 | 110.2° | 109.5° |
| C9 | C11 | H24 | 110.3° | 109.5° |
| C11 | N4 | C10 | 121.8° | 110.9° |
| C11 | N4 | C18 | 122.5° | 111.0° |
| N4 | C11 | H23 | 110.2° | 109.4° |
| N4 | C11 | H24 | 110.2° | 109.5° |
| C10 | N4 | C18 | 115.6° | 111.0° |
| N4 | C10 | H7 | 107.8° | 109.5° |
| N4 | C10 | H26 | 107.8° | 109.5° |
| N4 | C18 | C7 | 123.4° | 119.6° |
| N4 | C18 | N | 119.4° | 119.7° |
| C7 | C18 | N | 117.2° | 120.7° |
| C18 | C7 | C16 | 122.6° | 119.0° |
| C18 | C7 | H5 | 118.7° | 120.5° |
| C18 | N | C3 | 121.3° | 121.9° |
| C7 | C16 | C4 | 118.9° | 118.2° |
| C7 | C16 | C17 | 122.0° | 120.9° |
| C16 | C7 | H5 | 118.7° | 120.5° |
| N | C3 | C4 | 120.7° | 121.0° |
| N | C3 | H11 | 119.6° | 119.5° |
| C2 | N5 | N1 | 119.3° | 126.1° |
| C2 | N5 | C13 | 122.1° | 126.1° |
| N5 | C2 | H18 | 109.5° | 109.5° |
| N5 | C2 | H19 | 109.5° | 109.5° |
| N5 | C2 | H20 | 109.4° | 109.4° |
| CL | C14 | C5 | 121.0° | 120.0° |
| CL | C14 | C20 | 121.8° | 119.9° |
| C3 | C4 | C16 | 119.3° | 119.2° |
| C3 | C4 | H2 | 120.3° | 120.4° |
| C4 | C3 | H11 | 119.7° | 119.5° |
| C4 | C16 | C17 | 119.1° | 120.9° |
| C16 | C4 | H2 | 120.3° | 120.4° |
| C16 | C17 | C5 | 119.4° | 120.1° |
| C16 | C17 | C6 | 122.8° | 120.1° |
| C14 | C5 | C17 | 124.3° | 119.9° |
| C5 | C14 | C20 | 117.2° | 120.1° |
| C14 | C5 | H3 | 117.9° | 120.1° |
| C5 | C17 | C6 | 117.8° | 119.8° |
| C17 | C5 | H3 | 117.8° | 120.0° |
| N5 | N1 | C12 | 107.2° | 108.3° |
| N1 | N5 | C13 | 118.5° | 107.9° |
| N1 | C12 | C | 122.0° | 125.8° |
| N1 | C12 | C19 | 108.4° | 108.4° |
| N5 | C13 | C1 | 127.3° | 126.2° |
| N5 | C13 | C19 | 104.2° | 107.6° |
| C14 | C20 | C15 | 119.4° | 120.2° |
| C14 | C20 | S | 122.9° | 119.9° |
| C17 | C6 | C15 | 117.4° | 119.9° |
| C17 | C6 | H4 | 121.3° | 120.0° |
| C | C12 | C19 | 129.6° | 125.8° |
| C12 | C | H12 | 109.5° | 109.5° |
| C12 | C | H13 | 109.5° | 109.4° |
| C12 | C | H14 | 109.5° | 109.5° |
| C12 | C19 | C13 | 101.6° | 107.8° |
| C12 | C19 | N3 | 130.3° | 126.1° |
| C1 | C13 | C19 | 128.5° | 126.2° |
| C13 | C1 | H15 | 109.5° | 109.5° |
| C13 | C1 | H16 | 109.5° | 109.5° |
| C13 | C1 | H17 | 109.5° | 109.5° |
| C13 | C19 | N3 | 128.1° | 126.1° |
| C15 | C20 | S | 117.7° | 119.9° |
| C20 | C15 | C6 | 123.9° | 120.1° |
| C20 | C15 | CL1 | 116.3° | 119.9° |
| C20 | S | O1 | 115.1° | 106.4° |
| C20 | S | N3 | 102.1° | 107.2° |
| C20 | S | O | 115.4° | 106.4° |
| C19 | N3 | S | 119.1° | 120.0° |
| C19 | N3 | H1 | 107.0° | 120.0° |
| O1 | S | N3 | 101.9° | 106.4° |
| O1 | S | O | 111.1° | 123.2° |
| C6 | C15 | CL1 | 119.8° | 119.9° |
| C15 | C6 | H4 | 121.3° | 120.1° |
| N3 | S | O | 109.8° | 106.4° |
| S | N3 | H1 | 107.0° | 120.0° |
| H6 | C8 | H25 | 109.4° | 109.5° |
| H7 | C10 | H26 | 109.5° | 109.5° |
| H8 | C21 | H9 | 109.5° | 109.4° |
| H8 | C21 | H10 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.5° |
| H12 | C | H14 | 109.5° | 109.5° |
| H13 | C | H14 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.4° | 109.5° |
| H15 | C1 | H17 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H18 | C2 | H19 | 109.5° | 109.6° |
| H18 | C2 | H20 | 109.5° | 109.4° |
| H19 | C2 | H20 | 109.5° | 109.5° |
| H21 | C9 | H22 | 109.5° | 109.5° |
| H23 | C11 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | N2 | C8 | C9 | 120.5° | 123.9° |
| C21 | N2 | C8 | C10 | 145.0° | 176.8° |
| C21 | N2 | C9 | C11 | 177.0° | 176.8° |
| C21 | N2 | C8 | H6 | 93.8° | 63.2° |
| N2 | C21 | H8 | H9 | 120.0° | 120.0° |
| N2 | C21 | H8 | H10 | 120.0° | 120.1° |
| N2 | C21 | H9 | H10 | 120.0° | 120.0° |
| C21 | N2 | C9 | H21 | 63.3° | 63.2° |
| C21 | N2 | C9 | H22 | 57.2° | 56.8° |
| C21 | N2 | C8 | H25 | 23.8° | 56.8° |
| N2 | C8 | C10 | H6 | 121.2° | 119.9° |
| N2 | C8 | C10 | H25 | 121.2° | 120.0° |
| C8 | N2 | C9 | C11 | 61.0° | 59.3° |
| N2 | C8 | C10 | N4 | 3.0° | 58.4° |
| N2 | C8 | H6 | H25 | 116.2° | 120.0° |
| N2 | C8 | C10 | H7 | 123.9° | 61.6° |
| C8 | N2 | C21 | H8 | 180.0° | 60.0° |
| C8 | N2 | C21 | H9 | 60.0° | 180.0° |
| C8 | N2 | C21 | H10 | 60.0° | 60.0° |
| C8 | N2 | C9 | H21 | 58.7° | 60.7° |
| C8 | N2 | C9 | H22 | 179.2° | 179.3° |
| N2 | C8 | C10 | H26 | 117.9° | 178.4° |
| C9 | N2 | C8 | C10 | 24.5° | 59.3° |
| N2 | C9 | C11 | H21 | 119.8° | 119.9° |
| N2 | C9 | C11 | H22 | 119.7° | 120.0° |
| N2 | C9 | C11 | N4 | 70.8° | 58.4° |
| C9 | N2 | C8 | H6 | 145.8° | 60.7° |
| C9 | N2 | C21 | H8 | 58.5° | 176.2° |
| C9 | N2 | C21 | H9 | 61.5° | 56.2° |
| C9 | N2 | C21 | H10 | 178.5° | 63.8° |
| N2 | C9 | H21 | H22 | 120.8° | 120.1° |
| N2 | C9 | C11 | H23 | 169.7° | 61.6° |
| N2 | C9 | C11 | H24 | 48.7° | 178.4° |
| C9 | N2 | C8 | H25 | 96.7° | 179.3° |
| C8 | C10 | N4 | C11 | 8.2° | 59.3° |
| C8 | C10 | N4 | H7 | 121.0° | 119.9° |
| C8 | C10 | N4 | H26 | 120.9° | 120.0° |
| C8 | C10 | N4 | C18 | 171.8° | 176.8° |
| C10 | C8 | H6 | H25 | 116.2° | 120.1° |
| C8 | C10 | H7 | H26 | 117.0° | 120.0° |
| C9 | C11 | N4 | H23 | 119.5° | 120.0° |
| C9 | C11 | N4 | H24 | 119.5° | 119.9° |
| C9 | C11 | N4 | C10 | 43.6° | 59.3° |
| C9 | C11 | N4 | C18 | 136.4° | 176.8° |
| C11 | C9 | H21 | H22 | 120.8° | 120.1° |
| C9 | C11 | H23 | H24 | 121.5° | 120.1° |
| C11 | N4 | C10 | C18 | 180.0° | 123.9° |
| C11 | N4 | C18 | C7 | 2.2° | 56.2° |
| C11 | N4 | C18 | N | 177.8° | 123.5° |
| C11 | N4 | C10 | H7 | 112.7° | 60.6° |
| N4 | C11 | C9 | H21 | 49.0° | 61.5° |
| N4 | C11 | C9 | H22 | 169.5° | 178.4° |
| N4 | C11 | H23 | H24 | 121.4° | 120.0° |
| C11 | N4 | C10 | H26 | 129.2° | 179.3° |
| C10 | N4 | C18 | C7 | 177.8° | 180.0° |
| C10 | N4 | C18 | N | 2.2° | 0.3° |
| N4 | C10 | C8 | H6 | 118.2° | 61.5° |
| N4 | C10 | H7 | H26 | 117.0° | 120.1° |
| C10 | N4 | C11 | H23 | 163.1° | 60.7° |
| C10 | N4 | C11 | H24 | 75.9° | 179.3° |
| N4 | C10 | C8 | H25 | 124.2° | 178.4° |
| N4 | C18 | C7 | N | 180.0° | 179.7° |
| N4 | C18 | C7 | C16 | 179.9° | 180.0° |
| N4 | C18 | N | C3 | 180.0° | 180.0° |
| N4 | C18 | C7 | H5 | 0.1° | 0.0° |
| C18 | N4 | C10 | H7 | 67.2° | 63.3° |
| C18 | N4 | C11 | H23 | 16.9° | 63.2° |
| C18 | N4 | C11 | H24 | 104.1° | 56.9° |
| C18 | N4 | C10 | H26 | 50.8° | 56.8° |
| C18 | C7 | C16 | H5 | 180.0° | 180.0° |
| C7 | C18 | N | C3 | 0.0° | 0.3° |
| C18 | C7 | C16 | C4 | 0.2° | 0.0° |
| C18 | C7 | C16 | C17 | 179.9° | 180.0° |
| N | C18 | C7 | C16 | 0.1° | 0.3° |
| C18 | N | C3 | C4 | 0.0° | 0.0° |
| N | C18 | C7 | H5 | 179.9° | 179.7° |
| C18 | N | C3 | H11 | 179.9° | 180.0° |
| C7 | C16 | C4 | C3 | 0.2° | 0.3° |
| C7 | C16 | C4 | C17 | 179.7° | 180.0° |
| C7 | C16 | C17 | C5 | 9.3° | 180.0° |
| C7 | C16 | C17 | C6 | 170.8° | 0.0° |
| C7 | C16 | C4 | H2 | 179.8° | 180.0° |
| N | C3 | C4 | H11 | 180.0° | 179.9° |
| N | C3 | C4 | C16 | 0.1° | 0.3° |
| N | C3 | C4 | H2 | 179.9° | 180.0° |
| C2 | N5 | N1 | C13 | 180.0° | 180.0° |
| C2 | N5 | N1 | C12 | 180.0° | 180.0° |
| C2 | N5 | C13 | C1 | 0.0° | 0.0° |
| C2 | N5 | C13 | C19 | 180.0° | 180.0° |
| N5 | C2 | H18 | H19 | 120.0° | 120.0° |
| N5 | C2 | H18 | H20 | 120.0° | 119.9° |
| N5 | C2 | H19 | H20 | 120.0° | 120.0° |
| CL | C14 | C5 | C20 | 179.9° | 179.9° |
| CL | C14 | C5 | C17 | 180.0° | 180.0° |
| CL | C14 | C20 | C15 | 180.0° | 180.0° |
| CL | C14 | C20 | S | 0.0° | 0.1° |
| CL | C14 | C5 | H3 | 0.0° | 0.2° |
| C3 | C4 | C16 | H2 | 180.0° | 179.7° |
| C3 | C4 | C16 | C17 | 179.9° | 179.7° |
| C4 | C16 | C17 | C5 | 170.4° | 0.0° |
| C4 | C16 | C17 | C6 | 9.4° | 180.0° |
| C4 | C16 | C7 | H5 | 179.8° | 180.0° |
| C16 | C4 | C3 | H11 | 180.0° | 179.8° |
| C16 | C17 | C5 | C14 | 179.9° | 179.9° |
| C16 | C17 | C5 | C6 | 179.8° | 180.0° |
| C16 | C17 | C6 | C15 | 179.9° | 180.0° |
| C17 | C16 | C4 | H2 | 0.1° | 0.0° |
| C16 | C17 | C5 | H3 | 0.1° | 0.2° |
| C16 | C17 | C6 | H4 | 0.1° | 0.1° |
| C17 | C16 | C7 | H5 | 0.1° | 0.0° |
| C14 | C5 | C17 | H3 | 180.0° | 179.8° |
| C14 | C5 | C17 | C6 | 0.1° | 0.1° |
| C5 | C14 | C20 | C15 | 0.1° | 0.1° |
| C5 | C14 | C20 | S | 179.9° | 180.0° |
| C17 | C5 | C14 | C20 | 0.1° | 0.1° |
| C5 | C17 | C6 | C15 | 0.0° | 0.0° |
| C5 | C17 | C6 | H4 | 180.0° | 179.9° |
| N5 | N1 | C12 | C | 180.0° | 180.0° |
| N5 | N1 | C12 | C19 | 0.0° | 0.0° |
| N1 | N5 | C13 | C1 | 180.0° | 180.0° |
| N1 | N5 | C13 | C19 | 0.0° | 0.0° |
| N1 | N5 | C2 | H18 | 0.0° | 90.0° |
| N1 | N5 | C2 | H19 | 120.0° | 149.9° |
| N1 | N5 | C2 | H20 | 120.0° | 29.9° |
| C12 | N1 | N5 | C13 | 0.0° | 0.0° |
| N1 | C12 | C | C19 | 180.0° | 180.0° |
| N1 | C12 | C19 | C13 | 0.0° | 0.0° |
| N1 | C12 | C19 | N3 | 180.0° | 180.0° |
| N1 | C12 | C | H12 | 0.0° | 85.9° |
| N1 | C12 | C | H13 | 120.0° | 154.2° |
| N1 | C12 | C | H14 | 120.0° | 34.2° |
| N5 | C13 | C19 | C12 | 0.0° | 0.0° |
| N5 | C13 | C1 | C19 | 180.0° | 180.0° |
| N5 | C13 | C19 | N3 | 180.0° | 180.0° |
| N5 | C13 | C1 | H15 | 90.0° | 90.0° |
| N5 | C13 | C1 | H16 | 150.0° | 30.0° |
| N5 | C13 | C1 | H17 | 30.0° | 150.0° |
| C13 | N5 | C2 | H18 | 179.9° | 90.1° |
| C13 | N5 | C2 | H19 | 60.1° | 30.0° |
| C13 | N5 | C2 | H20 | 59.9° | 150.0° |
| C14 | C20 | C15 | S | 180.0° | 179.9° |
| C14 | C20 | S | O1 | 5.1° | 16.9° |
| C14 | C20 | C15 | C6 | 0.0° | 0.0° |
| C14 | C20 | C15 | CL1 | 180.0° | 179.9° |
| C14 | C20 | S | N3 | 104.4° | 96.6° |
| C14 | C20 | S | O | 136.5° | 149.8° |
| C20 | C14 | C5 | H3 | 179.9° | 179.7° |
| C17 | C6 | C15 | C20 | 0.0° | 0.0° |
| C17 | C6 | C15 | H4 | 180.0° | 179.9° |
| C17 | C6 | C15 | CL1 | 180.0° | 180.0° |
| C6 | C17 | C5 | H3 | 179.9° | 179.8° |
| C | C12 | C19 | C13 | 180.0° | 180.0° |
| C | C12 | C19 | N3 | 0.0° | 0.0° |
| C12 | C | H12 | H13 | 120.0° | 119.9° |
| C12 | C | H12 | H14 | 120.0° | 120.0° |
| C12 | C | H13 | H14 | 120.0° | 120.0° |
| C12 | C19 | C13 | C1 | 180.0° | 180.0° |
| C12 | C19 | C13 | N3 | 180.0° | 180.0° |
| C12 | C19 | N3 | S | 87.7° | 59.9° |
| C12 | C19 | N3 | H1 | 33.7° | 120.1° |
| C19 | C12 | C | H12 | 180.0° | 94.2° |
| C19 | C12 | C | H13 | 60.0° | 25.8° |
| C19 | C12 | C | H14 | 60.0° | 145.8° |
| C1 | C13 | C19 | N3 | 0.1° | 0.0° |
| C13 | C1 | H15 | H16 | 120.0° | 120.0° |
| C13 | C1 | H15 | H17 | 120.0° | 120.0° |
| C13 | C1 | H16 | H17 | 120.0° | 120.0° |
| C13 | C19 | N3 | S | 92.3° | 120.1° |
| C13 | C19 | N3 | H1 | 146.3° | 59.9° |
| C19 | C13 | C1 | H15 | 90.0° | 90.0° |
| C19 | C13 | C1 | H16 | 30.0° | 150.0° |
| C19 | C13 | C1 | H17 | 150.0° | 30.0° |
| C15 | C20 | S | O1 | 174.9° | 163.0° |
| C20 | C15 | C6 | CL1 | 180.0° | 179.9° |
| C15 | C20 | S | N3 | 75.6° | 83.4° |
| C15 | C20 | S | O | 43.5° | 30.1° |
| C20 | C15 | C6 | H4 | 180.0° | 180.0° |
| C20 | S | N3 | C19 | 56.0° | 65.9° |
| C20 | S | O1 | N3 | 109.6° | 114.1° |
| C20 | S | O1 | O | 133.5° | 123.0° |
| S | C20 | C15 | C6 | 180.0° | 179.9° |
| S | C20 | C15 | CL1 | 0.0° | 0.0° |
| C20 | S | N3 | O | 123.0° | 113.6° |
| C20 | S | N3 | H1 | 177.4° | 114.1° |
| C19 | N3 | S | O1 | 63.2° | 47.7° |
| C19 | N3 | S | H1 | 121.3° | 180.0° |
| C19 | N3 | S | O | 179.0° | 179.5° |
| O1 | S | N3 | O | 117.8° | 132.9° |
| O1 | S | N3 | H1 | 58.2° | 132.4° |
| CL1 | C15 | C6 | H4 | 0.0° | 0.1° |
| O | S | N3 | H1 | 59.7° | 0.5° |
| H2 | C4 | C3 | H11 | 0.1° | 0.0° |
| H6 | C8 | C10 | H7 | 2.7° | 178.5° |
| H6 | C8 | C10 | H26 | 120.8° | 58.4° |
| H7 | C10 | C8 | H25 | 114.8° | 58.4° |
| H8 | C21 | H9 | H10 | 120.0° | 120.0° |
| H12 | C | H13 | H14 | 120.0° | 120.1° |
| H15 | C1 | H16 | H17 | 119.9° | 120.0° |
| H18 | C2 | H19 | H20 | 120.0° | 120.0° |
| H21 | C9 | C11 | H23 | 70.5° | 178.5° |
| H21 | C9 | C11 | H24 | 168.5° | 58.4° |
| H22 | C9 | C11 | H23 | 50.0° | 58.4° |
| H22 | C9 | C11 | H24 | 71.0° | 61.7° |
| H25 | C8 | C10 | H26 | 3.3° | 61.6° |
