ZJ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C7 | sing | 1.53Å | 1.53Å | |
| C10 | C7 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C12 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C15 | C20 | sing | 1.53Å | 1.51Å | |
| C15 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C14 | sing | 1.35Å | 1.33Å | |
| C3 | N1 | sing | 1.40Å | 1.38Å | |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| O2 | S1 | doub | 1.42Å | 1.43Å | |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | S1 | doub | 1.42Å | 1.43Å | |
| N1 | S1 | sing | 1.66Å | 1.67Å | |
| N1 | C13 | sing | 1.47Å | 1.47Å | |
| S1 | C2 | sing | 1.81Å | 1.78Å | |
| C14 | C13 | sing | 1.51Å | 1.55Å | |
| C14 | O3 | doub | 1.21Å | 1.23Å | |
| C13 | C21 | sing | 1.51Å | 1.52Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C25 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| N3 | C24 | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | 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 | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C4 | H28 | sing | 1.08Å | 1.08Å | |
| C5 | H29 | sing | 1.08Å | 1.08Å | |
| C11 | H30 | sing | 1.08Å | 1.08Å | |
| C12 | H31 | sing | 1.08Å | 1.08Å | |
| C13 | H32 | sing | 1.09Å | 1.10Å | |
| N2 | H33 | sing | 0.97Å | 1.00Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C7 | C10 | 108.4° | 109.5° |
| C9 | C7 | C6 | 109.5° | 109.5° |
| C9 | C7 | C8 | 108.4° | 109.5° |
| C7 | C9 | H4 | 109.5° | 109.5° |
| C7 | C9 | H5 | 109.5° | 109.5° |
| C7 | C9 | H6 | 109.5° | 109.5° |
| C10 | C7 | C6 | 110.8° | 109.5° |
| C10 | C7 | C8 | 108.7° | 109.5° |
| C7 | C10 | H7 | 109.5° | 109.5° |
| C7 | C10 | H8 | 109.5° | 109.5° |
| C7 | C10 | H9 | 109.5° | 109.5° |
| C12 | C11 | C6 | 121.9° | 120.1° |
| C11 | C12 | C3 | 119.9° | 119.9° |
| C12 | C11 | H30 | 119.0° | 120.0° |
| C11 | C12 | H31 | 120.0° | 120.0° |
| C11 | C6 | C7 | 121.3° | 119.9° |
| C11 | C6 | C5 | 116.8° | 120.1° |
| C6 | C11 | H30 | 119.1° | 119.9° |
| C18 | C17 | C16 | 110.9° | 109.5° |
| C17 | C18 | C19 | 111.5° | 109.5° |
| C18 | C17 | H15 | 109.1° | 109.5° |
| C18 | C17 | H16 | 109.1° | 109.5° |
| C17 | C18 | H24 | 109.0° | 109.5° |
| C17 | C18 | H25 | 109.0° | 109.5° |
| C17 | C16 | C15 | 109.6° | 109.5° |
| C17 | C16 | H13 | 109.4° | 109.5° |
| C17 | C16 | H14 | 109.4° | 109.5° |
| C16 | C17 | H15 | 109.1° | 109.5° |
| C16 | C17 | H16 | 109.1° | 109.4° |
| C18 | C19 | C20 | 112.3° | 109.5° |
| C19 | C18 | H24 | 108.9° | 109.5° |
| C19 | C18 | H25 | 109.0° | 109.5° |
| C18 | C19 | H26 | 108.8° | 109.5° |
| C18 | C19 | H27 | 108.8° | 109.5° |
| C6 | C7 | C8 | 110.8° | 109.4° |
| C7 | C6 | C5 | 121.9° | 119.9° |
| C7 | C8 | H1 | 109.5° | 109.5° |
| C7 | C8 | H2 | 109.5° | 109.4° |
| C7 | C8 | H3 | 109.5° | 109.4° |
| C16 | C15 | C20 | 110.9° | 109.5° |
| C16 | C15 | N2 | 111.7° | 109.5° |
| C16 | C15 | H12 | 107.7° | 109.5° |
| C15 | C16 | H13 | 109.4° | 109.5° |
| C15 | C16 | H14 | 109.4° | 109.5° |
| C12 | C3 | N1 | 120.0° | 120.1° |
| C12 | C3 | C4 | 119.4° | 119.8° |
| C3 | C12 | H31 | 120.1° | 120.1° |
| C6 | C5 | C4 | 122.2° | 120.0° |
| C6 | C5 | H29 | 118.9° | 119.9° |
| C19 | C20 | C15 | 110.8° | 109.4° |
| C20 | C19 | H26 | 108.8° | 109.4° |
| C20 | C19 | H27 | 108.8° | 109.5° |
| C19 | C20 | H34 | 109.1° | 109.5° |
| C19 | C20 | H35 | 109.1° | 109.5° |
| C20 | C15 | N2 | 110.2° | 109.5° |
| C20 | C15 | H12 | 107.8° | 109.4° |
| C15 | C20 | H34 | 109.2° | 109.5° |
| C15 | C20 | H35 | 109.2° | 109.4° |
| C15 | N2 | C14 | 122.4° | 120.0° |
| N2 | C15 | H12 | 108.5° | 109.5° |
| C15 | N2 | H33 | 118.8° | 120.0° |
| N2 | C14 | C13 | 115.7° | 120.0° |
| N2 | C14 | O3 | 121.9° | 120.0° |
| C14 | N2 | H33 | 118.8° | 120.0° |
| N1 | C3 | C4 | 120.6° | 120.1° |
| C3 | N1 | S1 | 119.4° | 120.0° |
| C3 | N1 | C13 | 118.8° | 120.0° |
| C3 | C4 | C5 | 119.8° | 120.0° |
| C3 | C4 | H28 | 120.1° | 120.0° |
| O2 | S1 | O1 | 118.9° | 121.1° |
| O2 | S1 | N1 | 106.5° | 104.3° |
| O2 | S1 | C2 | 107.3° | 110.5° |
| C5 | C4 | H28 | 120.1° | 120.0° |
| C4 | C5 | H29 | 118.9° | 120.0° |
| O1 | S1 | N1 | 108.0° | 104.3° |
| O1 | S1 | C2 | 108.1° | 110.5° |
| S1 | N1 | C13 | 121.6° | 120.0° |
| N1 | S1 | C2 | 107.5° | 104.5° |
| N1 | C13 | C14 | 112.7° | 109.4° |
| N1 | C13 | C21 | 115.3° | 109.5° |
| N1 | C13 | H32 | 107.3° | 109.4° |
| S1 | C2 | C1 | 113.9° | 109.5° |
| S1 | C2 | H10 | 108.4° | 109.5° |
| S1 | C2 | H11 | 108.4° | 109.4° |
| C13 | C14 | O3 | 122.4° | 120.0° |
| C14 | C13 | C21 | 107.9° | 109.5° |
| C14 | C13 | H32 | 106.4° | 109.5° |
| C13 | C21 | C22 | 120.4° | 120.4° |
| C13 | C21 | C25 | 122.2° | 120.4° |
| C21 | C13 | H32 | 106.8° | 109.5° |
| C22 | C21 | C25 | 117.4° | 119.2° |
| C21 | C22 | C23 | 120.2° | 118.4° |
| C21 | C22 | H20 | 119.9° | 120.8° |
| C21 | C25 | N3 | 123.3° | 120.8° |
| C21 | C25 | H23 | 118.3° | 119.6° |
| C22 | C23 | C24 | 118.2° | 119.2° |
| C23 | C22 | H20 | 119.9° | 120.8° |
| C22 | C23 | H21 | 120.9° | 120.4° |
| C1 | C2 | H10 | 108.4° | 109.5° |
| C1 | C2 | H11 | 108.3° | 109.5° |
| C2 | C1 | H17 | 109.5° | 109.4° |
| C2 | C1 | H18 | 109.5° | 109.5° |
| C2 | C1 | H19 | 109.5° | 109.4° |
| C25 | N3 | C24 | 117.4° | 121.7° |
| N3 | C25 | H23 | 118.3° | 119.6° |
| C23 | C24 | N3 | 123.5° | 120.8° |
| C24 | C23 | H21 | 120.9° | 120.4° |
| C23 | C24 | H22 | 118.2° | 119.6° |
| N3 | C24 | H22 | 118.2° | 119.6° |
| H1 | C8 | H2 | 109.5° | 109.5° |
| H1 | C8 | H3 | 109.5° | 109.5° |
| H2 | C8 | H3 | 109.5° | 109.5° |
| H4 | C9 | H5 | 109.4° | 109.5° |
| H4 | C9 | H6 | 109.5° | 109.5° |
| H5 | C9 | H6 | 109.5° | 109.4° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H7 | C10 | H9 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.4° | 109.5° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.4° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H17 | C1 | H18 | 109.4° | 109.4° |
| H17 | C1 | H19 | 109.5° | 109.5° |
| H18 | C1 | H19 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.4° |
| H26 | C19 | H27 | 109.4° | 109.5° |
| H34 | C20 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C7 | C10 | C6 | 120.2° | 120.0° |
| C9 | C7 | C10 | C8 | 117.7° | 120.0° |
| C9 | C7 | C6 | C11 | 52.4° | 0.3° |
| C9 | C7 | C6 | C8 | 119.6° | 120.0° |
| C9 | C7 | C6 | C5 | 127.2° | 180.0° |
| C9 | C7 | C8 | H1 | 180.0° | 60.0° |
| C9 | C7 | C8 | H2 | 60.0° | 60.0° |
| C9 | C7 | C8 | H3 | 60.0° | 180.0° |
| C7 | C9 | H4 | H5 | 120.0° | 120.0° |
| C7 | C9 | H4 | H6 | 120.0° | 120.0° |
| C7 | C9 | H5 | H6 | 120.0° | 120.0° |
| C9 | C7 | C10 | H7 | 180.0° | 180.0° |
| C9 | C7 | C10 | H8 | 60.0° | 60.0° |
| C9 | C7 | C10 | H9 | 60.0° | 60.0° |
| C10 | C7 | C6 | C11 | 67.2° | 119.7° |
| C10 | C7 | C6 | C8 | 120.8° | 120.0° |
| C10 | C7 | C6 | C5 | 113.2° | 60.0° |
| C10 | C7 | C8 | H1 | 62.3° | 180.0° |
| C10 | C7 | C8 | H2 | 177.7° | 59.9° |
| C10 | C7 | C8 | H3 | 57.7° | 60.0° |
| C10 | C7 | C9 | H4 | 180.0° | 60.0° |
| C10 | C7 | C9 | H5 | 60.0° | 60.0° |
| C10 | C7 | C9 | H6 | 60.0° | 180.0° |
| C7 | C10 | H7 | H8 | 120.0° | 120.0° |
| C7 | C10 | H7 | H9 | 120.0° | 120.0° |
| C7 | C10 | H8 | H9 | 120.0° | 120.0° |
| C12 | C11 | C6 | H30 | 180.0° | 179.9° |
| C12 | C11 | C6 | C7 | 179.6° | 179.7° |
| C11 | C12 | C3 | H31 | 180.0° | 180.0° |
| C12 | C11 | C6 | C5 | 0.0° | 0.1° |
| C11 | C12 | C3 | N1 | 178.3° | 179.8° |
| C11 | C12 | C3 | C4 | 0.9° | 0.3° |
| C11 | C6 | C7 | C5 | 179.6° | 179.7° |
| C11 | C6 | C7 | C8 | 172.0° | 120.3° |
| C6 | C11 | C12 | C3 | 0.6° | 0.1° |
| C11 | C6 | C5 | C4 | 0.3° | 0.3° |
| C11 | C6 | C5 | H29 | 179.7° | 179.7° |
| C6 | C11 | C12 | H31 | 179.4° | 180.0° |
| C18 | C17 | C16 | H15 | 120.2° | 120.0° |
| C18 | C17 | C16 | H16 | 120.2° | 120.0° |
| C17 | C18 | C19 | H24 | 120.3° | 120.0° |
| C17 | C18 | C19 | H25 | 120.3° | 120.0° |
| C18 | C17 | C16 | C15 | 58.6° | 60.0° |
| C17 | C18 | C19 | C20 | 52.8° | 60.0° |
| C18 | C17 | C16 | H13 | 178.6° | 60.1° |
| C18 | C17 | C16 | H14 | 61.4° | 180.0° |
| C18 | C17 | H15 | H16 | 119.4° | 120.0° |
| C17 | C18 | H24 | H25 | 119.1° | 120.0° |
| C17 | C18 | C19 | H26 | 173.2° | 180.0° |
| C17 | C18 | C19 | H27 | 67.7° | 60.0° |
| C16 | C17 | C18 | C19 | 55.4° | 60.0° |
| C17 | C16 | C15 | H13 | 120.0° | 120.0° |
| C17 | C16 | C15 | H14 | 120.0° | 120.0° |
| C17 | C16 | C15 | C20 | 59.5° | 60.0° |
| C17 | C16 | C15 | N2 | 177.2° | 180.0° |
| C17 | C16 | C15 | H12 | 58.2° | 60.0° |
| C17 | C16 | H13 | H14 | 120.0° | 120.0° |
| C16 | C17 | H15 | H16 | 119.4° | 120.0° |
| C16 | C17 | C18 | H24 | 64.9° | 60.0° |
| C16 | C17 | C18 | H25 | 175.7° | 180.0° |
| C18 | C19 | C20 | H26 | 120.4° | 120.0° |
| C18 | C19 | C20 | H27 | 120.4° | 120.1° |
| C18 | C19 | C20 | C15 | 53.2° | 60.0° |
| C19 | C18 | C17 | H15 | 64.8° | 180.0° |
| C19 | C18 | C17 | H16 | 175.6° | 60.0° |
| C19 | C18 | H24 | H25 | 119.1° | 120.0° |
| C18 | C19 | H26 | H27 | 118.7° | 120.0° |
| C18 | C19 | C20 | H34 | 67.0° | 180.0° |
| C18 | C19 | C20 | H35 | 173.4° | 60.0° |
| C7 | C6 | C5 | C4 | 179.9° | 179.9° |
| C6 | C7 | C8 | H1 | 59.7° | 60.0° |
| C6 | C7 | C8 | H2 | 60.3° | 180.0° |
| C6 | C7 | C8 | H3 | 179.7° | 60.0° |
| C6 | C7 | C9 | H4 | 59.0° | 60.0° |
| C6 | C7 | C9 | H5 | 61.0° | 179.9° |
| C6 | C7 | C9 | H6 | 179.0° | 60.0° |
| C6 | C7 | C10 | H7 | 59.8° | 60.0° |
| C6 | C7 | C10 | H8 | 179.8° | 180.0° |
| C6 | C7 | C10 | H9 | 60.3° | 60.0° |
| C7 | C6 | C5 | H29 | 0.1° | 0.1° |
| C7 | C6 | C11 | H30 | 0.4° | 0.4° |
| C8 | C7 | C6 | C5 | 7.6° | 60.0° |
| C7 | C8 | H1 | H2 | 120.0° | 120.0° |
| C7 | C8 | H1 | H3 | 120.0° | 120.0° |
| C7 | C8 | H2 | H3 | 120.0° | 119.9° |
| C8 | C7 | C9 | H4 | 62.1° | 180.0° |
| C8 | C7 | C9 | H5 | 177.9° | 60.0° |
| C8 | C7 | C9 | H6 | 57.9° | 60.0° |
| C8 | C7 | C10 | H7 | 62.3° | 60.0° |
| C8 | C7 | C10 | H8 | 57.7° | 60.0° |
| C8 | C7 | C10 | H9 | 177.7° | 180.0° |
| C16 | C15 | C20 | C19 | 56.7° | 60.0° |
| C16 | C15 | C20 | N2 | 124.2° | 120.0° |
| C16 | C15 | C20 | H12 | 117.7° | 120.0° |
| C16 | C15 | N2 | H12 | 118.6° | 120.0° |
| C16 | C15 | N2 | C14 | 132.2° | 85.0° |
| C15 | C16 | H13 | H14 | 120.0° | 120.0° |
| C15 | C16 | C17 | H15 | 61.6° | 180.0° |
| C15 | C16 | C17 | H16 | 178.8° | 60.0° |
| C16 | C15 | N2 | H33 | 47.8° | 95.0° |
| C16 | C15 | C20 | H34 | 63.5° | 180.0° |
| C16 | C15 | C20 | H35 | 176.9° | 60.0° |
| C12 | C3 | N1 | C4 | 177.3° | 179.5° |
| C12 | C3 | C4 | C5 | 0.7° | 0.5° |
| C12 | C3 | N1 | S1 | 90.5° | 124.5° |
| C12 | C3 | N1 | C13 | 85.1° | 55.5° |
| C12 | C3 | C4 | H28 | 179.3° | 179.4° |
| C3 | C12 | C11 | H30 | 179.4° | 180.0° |
| C6 | C5 | C4 | C3 | 0.0° | 0.5° |
| C6 | C5 | C4 | H29 | 180.0° | 180.0° |
| C6 | C5 | C4 | H28 | 180.0° | 179.4° |
| C5 | C6 | C11 | H30 | 180.0° | 180.0° |
| C19 | C20 | C15 | H34 | 120.2° | 120.0° |
| C19 | C20 | C15 | H35 | 120.2° | 120.0° |
| C19 | C20 | C15 | N2 | 179.1° | 180.0° |
| C19 | C20 | C15 | H12 | 61.0° | 60.0° |
| C20 | C19 | C18 | H24 | 67.6° | 60.0° |
| C20 | C19 | C18 | H25 | 173.1° | 180.0° |
| C20 | C19 | H26 | H27 | 118.7° | 120.0° |
| C19 | C20 | H34 | H35 | 119.4° | 120.1° |
| C20 | C15 | N2 | H12 | 117.7° | 120.0° |
| C20 | C15 | N2 | C14 | 104.1° | 155.0° |
| C20 | C15 | C16 | H13 | 179.5° | 60.0° |
| C20 | C15 | C16 | H14 | 60.5° | 180.0° |
| C15 | C20 | C19 | H26 | 173.6° | 180.0° |
| C15 | C20 | C19 | H27 | 67.2° | 60.0° |
| C20 | C15 | N2 | H33 | 75.9° | 25.0° |
| C15 | C20 | H34 | H35 | 119.5° | 120.0° |
| C15 | N2 | C14 | H33 | 180.0° | 180.0° |
| C15 | N2 | C14 | C13 | 164.2° | 180.0° |
| C15 | N2 | C14 | O3 | 15.4° | 0.0° |
| N2 | C15 | C16 | H13 | 57.2° | 60.0° |
| N2 | C15 | C16 | H14 | 62.8° | 60.0° |
| N2 | C15 | C20 | H34 | 60.7° | 60.0° |
| N2 | C15 | C20 | H35 | 58.9° | 60.0° |
| N2 | C14 | C13 | N1 | 98.9° | 171.0° |
| N2 | C14 | C13 | O3 | 179.7° | 180.0° |
| N2 | C14 | C13 | C21 | 132.7° | 51.0° |
| C14 | N2 | C15 | H12 | 13.6° | 35.0° |
| N2 | C14 | C13 | H32 | 18.4° | 69.0° |
| C3 | N1 | S1 | O2 | 127.7° | 153.1° |
| N1 | C3 | C4 | C5 | 178.0° | 180.0° |
| C3 | N1 | S1 | O1 | 1.1° | 25.2° |
| C3 | N1 | S1 | C13 | 175.4° | 180.0° |
| C3 | N1 | S1 | C2 | 117.6° | 90.9° |
| C3 | N1 | C13 | C14 | 11.0° | 17.9° |
| C3 | N1 | C13 | C21 | 135.4° | 102.1° |
| N1 | C3 | C4 | H28 | 2.1° | 0.0° |
| N1 | C3 | C12 | H31 | 1.7° | 0.3° |
| C3 | N1 | C13 | H32 | 105.8° | 138.0° |
| C3 | C4 | C5 | H28 | 180.0° | 180.0° |
| C4 | C3 | N1 | S1 | 92.3° | 55.0° |
| C4 | C3 | N1 | C13 | 92.2° | 125.0° |
| C3 | C4 | C5 | H29 | 180.0° | 179.5° |
| C4 | C3 | C12 | H31 | 179.0° | 179.7° |
| O2 | S1 | O1 | N1 | 121.4° | 116.7° |
| O2 | S1 | O1 | C2 | 122.5° | 131.5° |
| O2 | S1 | N1 | C2 | 114.7° | 116.1° |
| O2 | S1 | N1 | C13 | 47.7° | 27.0° |
| O2 | S1 | C2 | C1 | 177.4° | 76.8° |
| O2 | S1 | C2 | H10 | 56.8° | 43.2° |
| O2 | S1 | C2 | H11 | 61.9° | 163.2° |
| O1 | S1 | N1 | C2 | 116.5° | 116.0° |
| O1 | S1 | N1 | C13 | 176.5° | 154.8° |
| O1 | S1 | C2 | C1 | 48.0° | 60.0° |
| O1 | S1 | C2 | H10 | 72.6° | 180.0° |
| O1 | S1 | C2 | H11 | 168.7° | 60.0° |
| S1 | N1 | C13 | C14 | 173.5° | 162.0° |
| S1 | N1 | C13 | C21 | 49.2° | 78.0° |
| N1 | S1 | C2 | C1 | 68.3° | 171.6° |
| N1 | S1 | C2 | H10 | 171.0° | 68.4° |
| N1 | S1 | C2 | H11 | 52.3° | 51.6° |
| S1 | N1 | C13 | H32 | 69.6° | 42.0° |
| C13 | N1 | S1 | C2 | 67.0° | 89.1° |
| N1 | C13 | C14 | C21 | 128.4° | 120.0° |
| N1 | C13 | C14 | H32 | 117.4° | 120.0° |
| N1 | C13 | C14 | O3 | 81.4° | 9.0° |
| N1 | C13 | C21 | H32 | 119.1° | 120.0° |
| N1 | C13 | C21 | C22 | 131.5° | 161.3° |
| N1 | C13 | C21 | C25 | 49.7° | 19.0° |
| S1 | C2 | C1 | H10 | 120.6° | 120.0° |
| S1 | C2 | C1 | H11 | 120.7° | 120.0° |
| S1 | C2 | H10 | H11 | 118.0° | 120.0° |
| S1 | C2 | C1 | H17 | 180.0° | 179.9° |
| S1 | C2 | C1 | H18 | 60.0° | 60.0° |
| S1 | C2 | C1 | H19 | 60.0° | 60.0° |
| C14 | C13 | C21 | H32 | 114.1° | 120.1° |
| C14 | C13 | C21 | C22 | 101.7° | 78.8° |
| C14 | C13 | C21 | C25 | 77.1° | 101.0° |
| C13 | C14 | N2 | H33 | 15.8° | 0.0° |
| O3 | C14 | C13 | C21 | 46.9° | 129.0° |
| O3 | C14 | C13 | H32 | 161.2° | 111.0° |
| O3 | C14 | N2 | H33 | 164.6° | 180.0° |
| C13 | C21 | C22 | C25 | 178.8° | 179.7° |
| C13 | C21 | C22 | C23 | 179.8° | 179.8° |
| C13 | C21 | C25 | N3 | 179.7° | 179.8° |
| C13 | C21 | C22 | H20 | 0.2° | 0.3° |
| C13 | C21 | C25 | H23 | 0.2° | 0.2° |
| C21 | C22 | C23 | H20 | 180.0° | 179.9° |
| C22 | C21 | C25 | N3 | 1.4° | 0.0° |
| C21 | C22 | C23 | C24 | 0.4° | 0.0° |
| C21 | C22 | C23 | H21 | 179.6° | 180.0° |
| C22 | C21 | C25 | H23 | 178.6° | 180.0° |
| C22 | C21 | C13 | H32 | 12.4° | 41.3° |
| C25 | C21 | C22 | C23 | 1.0° | 0.0° |
| C21 | C25 | N3 | H23 | 180.0° | 180.0° |
| C21 | C25 | N3 | C24 | 1.2° | 0.0° |
| C25 | C21 | C22 | H20 | 179.0° | 179.9° |
| C25 | C21 | C13 | H32 | 168.8° | 139.0° |
| C22 | C23 | C24 | H21 | 180.0° | 179.9° |
| C22 | C23 | C24 | N3 | 0.2° | 0.1° |
| C22 | C23 | C24 | H22 | 179.8° | 179.9° |
| C1 | C2 | H10 | H11 | 118.0° | 120.0° |
| C2 | C1 | H17 | H18 | 120.0° | 120.0° |
| C2 | C1 | H17 | H19 | 120.0° | 120.0° |
| C2 | C1 | H18 | H19 | 120.0° | 120.0° |
| C25 | N3 | C24 | C23 | 0.6° | 0.1° |
| C25 | N3 | C24 | H22 | 179.4° | 179.9° |
| C23 | C24 | N3 | H22 | 180.0° | 180.0° |
| C24 | C23 | C22 | H20 | 179.6° | 180.0° |
| N3 | C24 | C23 | H21 | 179.8° | 180.0° |
| C24 | N3 | C25 | H23 | 178.8° | 179.9° |
| H1 | C8 | H2 | H3 | 120.0° | 120.1° |
| H4 | C9 | H5 | H6 | 120.0° | 120.0° |
| H7 | C10 | H8 | H9 | 119.9° | 120.0° |
| H10 | C2 | C1 | H17 | 59.4° | 60.0° |
| H10 | C2 | C1 | H18 | 179.3° | 60.0° |
| H10 | C2 | C1 | H19 | 60.7° | 180.0° |
| H11 | C2 | C1 | H17 | 59.4° | 60.1° |
| H11 | C2 | C1 | H18 | 60.6° | 180.0° |
| H11 | C2 | C1 | H19 | 179.4° | 60.0° |
| H12 | C15 | C16 | H13 | 61.8° | 180.0° |
| H12 | C15 | C16 | H14 | 178.2° | 60.0° |
| H12 | C15 | N2 | H33 | 166.4° | 145.0° |
| H12 | C15 | C20 | H34 | 178.9° | 60.0° |
| H12 | C15 | C20 | H35 | 59.2° | 180.0° |
| H13 | C16 | C17 | H15 | 58.4° | 60.0° |
| H13 | C16 | C17 | H16 | 61.2° | 180.0° |
| H14 | C16 | C17 | H15 | 178.4° | 60.0° |
| H14 | C16 | C17 | H16 | 58.8° | 60.0° |
| H15 | C17 | C18 | H24 | 175.0° | 60.0° |
| H15 | C17 | C18 | H25 | 55.5° | 60.0° |
| H16 | C17 | C18 | H24 | 55.4° | 180.0° |
| H16 | C17 | C18 | H25 | 64.1° | 60.1° |
| H17 | C1 | H18 | H19 | 120.0° | 120.1° |
| H20 | C22 | C23 | H21 | 0.4° | 0.1° |
| H21 | C23 | C24 | H22 | 0.2° | 0.0° |
| H24 | C18 | C19 | H26 | 52.9° | 60.0° |
| H24 | C18 | C19 | H27 | 172.0° | 180.0° |
| H25 | C18 | C19 | H26 | 66.5° | 60.0° |
| H25 | C18 | C19 | H27 | 52.6° | 60.0° |
| H26 | C19 | C20 | H34 | 53.4° | 60.0° |
| H26 | C19 | C20 | H35 | 66.2° | 60.0° |
| H27 | C19 | C20 | H34 | 172.6° | 60.0° |
| H27 | C19 | C20 | H35 | 53.0° | 180.0° |
| H28 | C4 | C5 | H29 | 0.0° | 0.6° |
| H30 | C11 | C12 | H31 | 0.7° | 0.0° |
